Mock Version: 6.0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs  --target x86_64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/fedorarebuild-x86_64-IVIIpTcEOP/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7f5b63362000>timeout=0uid=11527gid=900user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.8nj74s7o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.8nj74s7o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '9dd04baa740d43d78da81624cf7b7d9e', '-D', '/var/lib/mock/fedorarebuild-x86_64-IVIIpTcEOP/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.8nj74s7o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs  --target x86_64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: x86_64
Building for target x86_64
sh: line 1: perl: command not found
setting SOURCE_DATE_EPOCH=1737590400
Wrote: /builddir/build/SRPMS/openbabel-3.1.1-33.fc42.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb  --target x86_64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/fedorarebuild-x86_64-IVIIpTcEOP/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7f5b63362000>timeout=0uid=11527gid=900user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.8nj74s7o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.8nj74s7o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '6cbb5d1be7fe40f8ae377db2e02bada1', '-D', '/var/lib/mock/fedorarebuild-x86_64-IVIIpTcEOP/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.8nj74s7o:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb  --target x86_64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1737590400
Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.pl3VSx
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ test -d /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/rm -rf /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.QXLMf3
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ rm -rf openbabel-openbabel-3-1-1
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/openbabel-openbabel-3-1-1.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
Patch #0 (openbabel-perl.patch):
+ echo 'Patch #0 (openbabel-perl.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .perl_path --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 367 (offset 31 lines).
Patch #1 (openbabel-plugindir.patch):
+ echo 'Patch #1 (openbabel-plugindir.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .plugindir --fuzz=0
patching file CMakeLists.txt
patching file OpenBabel3Config.cmake.in
Patch #2 (openbabel-noswig-rubymethod.patch):
+ echo 'Patch #2 (openbabel-noswig-rubymethod.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .noswig_ruby --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 416 (offset 42 lines).
Patch #3 (openbabel-ruby19-vendorarch.patch):
+ echo 'Patch #3 (openbabel-ruby19-vendorarch.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .ruby_vendor --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 447 (offset 47 lines).
Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):
+ echo 'Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .s390x --fuzz=0
patching file openbabel-3.pc.cmake
Patch #7 (openbabel-3.1.1-fix_bug2223.patch):
+ echo 'Patch #7 (openbabel-3.1.1-fix_bug2223.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/forcefields/forcefielduff.cpp
Patch #8 (openbabel-3.1.1-fix_bug2217.patch):
+ echo 'Patch #8 (openbabel-3.1.1-fix_bug2217.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file test/testdistgeom.py
+ echo 'Patch #9 (openbabel-3.1.1-bug2378.patch):'
Patch #9 (openbabel-3.1.1-bug2378.patch):
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 102 (offset -4 lines).
Patch #10 (openbabel-3.1.1-bug2493.patch):
+ echo 'Patch #10 (openbabel-3.1.1-bug2493.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/config.h.cmake
+ rm -rf src/formats/libinchi
+ dos2unix -k data/chemdrawcdx.h include/openbabel/tautomer.h include/openbabel/math/align.h src/math/align.cpp test/testsmartssym.py
dos2unix: converting file data/chemdrawcdx.h to Unix format...
dos2unix: converting file include/openbabel/tautomer.h to Unix format...
dos2unix: converting file include/openbabel/math/align.h to Unix format...
dos2unix: converting file src/math/align.cpp to Unix format...
dos2unix: converting file test/testsmartssym.py to Unix format...
+ convert src/GUI/babel.xpm -transparent white babel.png
WARNING: The convert command is deprecated in IMv7, use "magick" instead of "convert" or "magick convert"
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc ~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ pushd doc
+ for man in *.1
++ basename obabel.1 .1
+ html=obabel.html
+ '[' -f obabel.html ']'
+ rm obabel.html
+ for man in *.1
++ basename obchiral.1 .1
+ html=obchiral.html
+ '[' -f obchiral.html ']'
+ rm obchiral.html
+ for man in *.1
++ basename obconformer.1 .1
+ html=obconformer.html
+ '[' -f obconformer.html ']'
+ rm obconformer.html
+ for man in *.1
++ basename obdistgen.1 .1
+ html=obdistgen.html
+ '[' -f obdistgen.html ']'
+ for man in *.1
++ basename obenergy.1 .1
+ html=obenergy.html
+ '[' -f obenergy.html ']'
+ rm obenergy.html
+ for man in *.1
++ basename obfit.1 .1
+ html=obfit.html
+ '[' -f obfit.html ']'
+ rm obfit.html
+ for man in *.1
++ basename obgen.1 .1
+ html=obgen.html
+ '[' -f obgen.html ']'
+ rm obgen.html
+ for man in *.1
++ basename obgrep.1 .1
+ html=obgrep.html
+ '[' -f obgrep.html ']'
+ rm obgrep.html
+ for man in *.1
++ basename obgui.1 .1
+ html=obgui.html
+ '[' -f obgui.html ']'
+ rm obgui.html
+ for man in *.1
++ basename obminimize.1 .1
+ html=obminimize.html
+ '[' -f obminimize.html ']'
+ rm obminimize.html
+ for man in *.1
++ basename obprobe.1 .1
+ html=obprobe.html
+ '[' -f obprobe.html ']'
+ rm obprobe.html
+ for man in *.1
++ basename obprop.1 .1
+ html=obprop.html
+ '[' -f obprop.html ']'
+ rm obprop.html
+ for man in *.1
++ basename obrms.1 .1
+ html=obrms.html
+ '[' -f obrms.html ']'
+ for man in *.1
++ basename obrotamer.1 .1
+ html=obrotamer.html
+ '[' -f obrotamer.html ']'
+ rm obrotamer.html
+ for man in *.1
++ basename obrotate.1 .1
+ html=obrotate.html
+ '[' -f obrotate.html ']'
+ rm obrotate.html
+ for man in *.1
++ basename obspectrophore.1 .1
+ html=obspectrophore.html
+ '[' -f obspectrophore.html ']'
+ rm obspectrophore.html
+ for man in *.1
++ basename obsym.1 .1
+ html=obsym.html
+ '[' -f obsym.html ']'
+ for man in *.1
++ basename obtautomer.1 .1
+ html=obtautomer.html
+ '[' -f obtautomer.html ']'
+ for man in *.1
++ basename obthermo.1 .1
+ html=obthermo.html
+ '[' -f obthermo.html ']'
+ for man in *.1
++ basename roundtrip.1 .1
+ html=roundtrip.html
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ '[' -f roundtrip.html ']'
+ popd
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.ydffQu
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ mkdir -p x86_64-redhat-linux-gnu
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -B x86_64-redhat-linux-gnu -Wno-dev -DCMAKE_SKIP_RPATH:BOOL=ON -DBUILD_GUI:BOOL=ON -DPYTHON_BINDINGS:BOOL=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS:BOOL=ON -DRUBY_BINDINGS:BOOL=ON -DWITH_MAEPARSER:BOOL=OFF -DWITH_COORDGEN:BOOL=OFF -DOB_PLUGIN_INSTALL_DIR:PATH=lib64/openbabel3 -DOPENBABEL_USE_SYSTEM_INCHI=true -DINCHI_INCLUDE_DIR:PATH=/usr/include/inchi -DINCHI_LIBRARY:FILEPATH=/usr/lib64/libinchi.so -DENABLE_VERSIONED_FORMATS=false -DRUN_SWIG=true -DENABLE_TESTS:BOOL=ON -DOPTIMIZE_NATIVE=OFF -DGLIBC_24_COMPATIBLE:BOOL=OFF
-- The C compiler identification is GNU 15.0.1
-- The CXX compiler identification is GNU 15.0.1
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found LibXml2: /usr/lib64/libxml2.so (found version "2.12.9")
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-- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0")
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found version "1.83.0") found components: filesystem iostreams unit_test_framework
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chargemodel.cpp.o -MF CMakeFiles/openbabel.dir/chargemodel.cpp.o.d -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chains.cpp.o -MF CMakeFiles/openbabel.dir/chains.cpp.o.d -o CMakeFiles/openbabel.dir/chains.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chains.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data.cpp.o -MF CMakeFiles/openbabel.dir/data.cpp.o.d -o CMakeFiles/openbabel.dir/data.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data_utilities.cpp.o -MF CMakeFiles/openbabel.dir/data_utilities.cpp.o.d -o CMakeFiles/openbabel.dir/data_utilities.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data_utilities.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/builder.cpp.o -MF CMakeFiles/openbabel.dir/builder.cpp.o.d -o CMakeFiles/openbabel.dir/builder.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/builder.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/descriptor.cpp.o -MF CMakeFiles/openbabel.dir/descriptor.cpp.o.d -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/elements.cpp.o -MF CMakeFiles/openbabel.dir/elements.cpp.o.d -o CMakeFiles/openbabel.dir/elements.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/elements.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/canon.cpp.o -MF CMakeFiles/openbabel.dir/canon.cpp.o.d -o CMakeFiles/openbabel.dir/canon.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/canon.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/fingerprint.cpp.o -MF CMakeFiles/openbabel.dir/fingerprint.cpp.o.d -o CMakeFiles/openbabel.dir/fingerprint.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/format.cpp.o -MF CMakeFiles/openbabel.dir/format.cpp.o.d -o CMakeFiles/openbabel.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/grid.cpp.o -MF CMakeFiles/openbabel.dir/grid.cpp.o.d -o CMakeFiles/openbabel.dir/grid.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/griddata.cpp.o -MF CMakeFiles/openbabel.dir/griddata.cpp.o.d -o CMakeFiles/openbabel.dir/griddata.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/graphsym.cpp.o -MF CMakeFiles/openbabel.dir/graphsym.cpp.o.d -o CMakeFiles/openbabel.dir/graphsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/graphsym.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/kekulize.cpp.o -MF CMakeFiles/openbabel.dir/kekulize.cpp.o.d -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp: In function ‘bool OpenBabel::NeedsDoubleBond(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp:94:15: warning: unused variable ‘nbr’ [-Wunused-variable]
   94 |       OBAtom *nbr = bond->GetNbrAtom(atom);
      |               ^~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/locale.cpp.o -MF CMakeFiles/openbabel.dir/locale.cpp.o.d -o CMakeFiles/openbabel.dir/locale.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/locale.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/generic.cpp.o -MF CMakeFiles/openbabel.dir/generic.cpp.o.d -o CMakeFiles/openbabel.dir/generic.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/generic.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/isomorphism.cpp.o -MF CMakeFiles/openbabel.dir/isomorphism.cpp.o.d -o CMakeFiles/openbabel.dir/isomorphism.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/isomorphism.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/forcefield.cpp.o -MF CMakeFiles/openbabel.dir/forcefield.cpp.o.d -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/set:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:391:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  391 |     if (_ignoreAtom == a)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:393:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  393 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:403:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  403 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:413:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  413 |     if (_ignoreAtom == d)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintType(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:665:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  665 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintValue(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:673:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  673 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomA(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:681:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  681 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomB(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:689:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  689 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomC(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:697:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  697 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomD(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:705:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  705 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1353:34: warning: array subscript has type ‘char’ [-Wchar-subscripts]
 1353 |     num_permutations = factorial[num_rotors_to_permute];
      |                                  ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1357:20: warning: comparisonmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
 of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBRotor*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1357 |     for (int i=0; i<vrotors.size(); ++i)
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1370:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1370 |       for (int i=0; i<reordered_rotors.size(); ++i) {
      |                     ~^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1291:9: warning: unused variable ‘origLogLevel’ [-Wunused-variable]
 1291 |     int origLogLevel = _loglvl;
      |         ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1327:12: warning: variable ‘energy_offset’ set but not used [-Wunused-but-set-variable]
 1327 |     double energy_offset;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In function ‘void OpenBabel::Reweight(std::vector<std::vector<double> >&, std::vector<int>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1571:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1571 |         if (j == rotorKey[i])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1590:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1590 |         if (j == rotorKey[i])
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddIgnore(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:580:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM <const vector(2) double> [(double *)&constraint + 16B]’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddIgnore(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:577:20: note: ‘constraint’ declared here
  577 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1393:29: warning: ‘minj’ may be used uninitialized [-Wmaybe-uninitialized]
 1393 |         rotorKey[idx + 1] = minj;
      |                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1319:21: note: ‘minj’ was declared here
 1319 |     unsigned int j, minj;
      |                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1410:11: warning: ‘minE’ may be used uninitialized [-Wmaybe-uninitialized]
 1410 |           if (minE < best_minE) {
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1320:22: note: ‘minE’ was declared here
 1320 |     double currentE, minE, best_minE;
      |                      ^~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obfunctions.cpp.o -MF CMakeFiles/openbabel.dir/obfunctions.cpp.o.d -o CMakeFiles/openbabel.dir/obfunctions.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obfunctions.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obconversion.cpp.o -MF CMakeFiles/openbabel.dir/obconversion.cpp.o.d -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:48:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:37:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obiter.cpp.o -MF CMakeFiles/openbabel.dir/obiter.cpp.o.d -o CMakeFiles/openbabel.dir/obiter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obiter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obutil.cpp.o -MF CMakeFiles/openbabel.dir/obutil.cpp.o.d -o CMakeFiles/openbabel.dir/obutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obutil.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/op.cpp.o -MF CMakeFiles/openbabel.dir/op.cpp.o.d -o CMakeFiles/openbabel.dir/op.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mol.cpp.o -MF CMakeFiles/openbabel.dir/mol.cpp.o.d -o CMakeFiles/openbabel.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::NumHvyAtoms()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: warning: unnecessary parentheses in declaration of ‘i’ [-Wparentheses]
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: note: remove parentheses
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
      |                              - -
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::GetTotalSpinMultiplicity()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:1221:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1221 |         if (chg % 2 != unpaired_electrons %2)
      |             ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:32,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:23:
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomB’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:21: note: ‘atomB’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                     ^~~~~
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:62:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomE’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:29: note: ‘atomE’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                             ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/patty.cpp.o -MF CMakeFiles/openbabel.dir/patty.cpp.o.d -o CMakeFiles/openbabel.dir/patty.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/patty.cpp
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[  7%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/plugin.cpp.o -MF CMakeFiles/openbabel.dir/plugin.cpp.o.d -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/phmodel.cpp.o -MF CMakeFiles/openbabel.dir/phmodel.cpp.o.d -o CMakeFiles/openbabel.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/parsmart.cpp.o -MF CMakeFiles/openbabel.dir/parsmart.cpp.o.d -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateAtom(Pattern*, AtomExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:446:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  446 |     int index,size;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateBond(Pattern*, BondExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:478:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  478 |     int index,size;
      |               ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rand.cpp.o -MF CMakeFiles/openbabel.dir/rand.cpp.o.d -o CMakeFiles/openbabel.dir/rand.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/query.cpp.o -MF CMakeFiles/openbabel.dir/query.cpp.o.d -o CMakeFiles/openbabel.dir/query.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/query.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/pointgroup.cpp.o -MF CMakeFiles/openbabel.dir/pointgroup.cpp.o.d -o CMakeFiles/openbabel.dir/pointgroup.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::establish_pairs(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:267:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  267 |         if( elem->transform[i] >= _mol->NumAtoms() ){ /* No symmetric atom yet          */
      |             ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::check_transform_order(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:311:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  311 |         if( elem->transform[i] == i )   /* Identity transform is Ok for any order */
      |             ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:315:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  315 |           if( elem->transform[j] == i )
      |               ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::same_transform(SYMMETRY_ELEMENT*, SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:358:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  358 |           if( b->transform[j] != i )
      |               ~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘OpenBabel::OBPointGroup::Symbol OpenBabel::OBPointGroup::IdentifyPointGroupSymbol(double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1958:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1958 |           || d->NormalAxesCounts[2] >= maxAxis) { // Are there the perpendicular C2 axes?
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1961:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1961 |         if (d->PlanesCount >= maxAxis + 1) { // Likely Dnh
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1986:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1986 |         else if (d->PlanesCount == maxAxis) { // Likely Dnd
      |                  ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2088:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 2088 |     else if (d->PlanesCount >= maxAxis) { // Cnv
      |              ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘void OpenBabel::OBPointGroup::Symmetrize(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2175:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2175 |     for (unsigned int i = 0; i < d->PlanesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2182:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2182 |     for (unsigned int i = 0; i < d->NormalAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2189:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2189 |     for (unsigned int i = 0; i < d->ImproperAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o -MF CMakeFiles/openbabel.dir/reactionfacade.cpp.o.d -o CMakeFiles/openbabel.dir/reactionfacade.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp: In member function ‘void OpenBabel::OBReactionFacadePrivate::FindComponents()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp:122:15: warning: unused variable ‘atm’ [-Wunused-variable]
  122 |       OBAtom* atm = &*atom;
      |               ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/residue.cpp.o -MF CMakeFiles/openbabel.dir/residue.cpp.o.d -o CMakeFiles/openbabel.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/residue.cpp
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[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o -MF CMakeFiles/openbabel.dir/mcdlutil.cpp.o.d -o CMakeFiles/openbabel.dir/mcdlutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:423:5: warning: multi-line comment [-Wcomment]
  423 |     //                             /     \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::threeBondResolve(int, int, double&, double&, OpenBabel::neighbourlist*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:968:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  968 |     for (i=0; i<bk[an].nb; i++) {
      |               ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:970:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  970 |       if (n != bondExcluded) {
      |           ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:982:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  982 |               for (k=0; k<rs; k++) if (bondList[k] == (*blStore)[j]) {
      |                         ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:995:22: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  995 |           for (j=0; j<rs; j++) {
      |                     ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1017:20: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1017 |         for (i=0; i<nAtoms(); i++) {
      |                   ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::deleteAtom(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |               ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |                                    ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::makeFragment(std::vector<int>&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1471:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1471 |           for (j=0; j<list.size(); j++) if (list[j] == l) test1=true;
      |                     ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1478:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1478 |     } while (k<list.size());
      |              ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defC(int&, int, int, std::vector<int>&, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2009:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2009 |           for (j=0; j<atomCycle[i].size(); j++) if (atomDefine[atomCycle[i][j]]>0) atDef=atDef+1;
      |                     ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2019:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2019 |       if (cN>=0) if (maxAtDef==atomCycle[cN].size()) {
      |                      ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2034:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2034 |           for (j=1; j<atomCycle[cN].size(); j++) atomCycle[cN][j-1]=atomCycle[cN][j];
      |                     ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2040:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2040 |         for (j=0;currNumDef < atomClean && j<atomCycle[cN].size()-maxAtDef; j++) {
      |                                            ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defA(int&, int, int, int, std::vector<int>&, std::vector<int>, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2107:98: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2107 |       if (baseCycle>0) for (i=0; i<baseCycle; i++) if (cycleDefine[i]==0) if (atomCycle[i].size()<j) {
      |                                                                               ~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::redraw(std::vector<int>, std::vector<int>, int, int&, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2238:67: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2238 |         for (j=0; j<baseCycle; j++) if(cycleDescription[j].size() == cs) {
      |                                        ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2240:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2240 |             for (k=0; k<cycleDescription[j].size(); k++) if (bondList[k] != cycleDescription[j][k]) {
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2264:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2264 |       for (j=1; j<cycleDescription[i].size(); j++) {
      |                 ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2575:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2575 |               if ((nb + i) > dsATN.size()) nb=dsATN.size()-i; // Check added to avoid segfault below, see issue #1851
      |                   ~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::flipSmall(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2985:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2985 |       for (i=0; i<list1.size(); i++) {
      |                 ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2965:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 2965 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::bondEnlarge(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3024:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3024 |     for (i=0; i<list.size(); i++) { //coordinates change
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3002:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 3002 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::correctDblBondStereo()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::compareAtoms(int, int, std::vector<std::vector<int>*>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                  ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:63: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                                            ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::makeEquivalentList(std::vector<int>&, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3291:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3291 |       for (j=0; j<lL->size(); j++) (*lL)[i]=0;
      |                 ~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3299:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3299 |     for (i=0; i<equivalenceList.size(); i++) equivalenceList[i]=0;
      |               ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3309:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3309 |     for (int i=0; i<aeqList.size(); i++) delete(aeqList.at(i));
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::incrementValues(std::vector<int>&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3325:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const __gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘const int’} [-Wsign-compare]
 3325 |       if (l <= maxValues[i]) {
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TSimpleMolecule::correctOverlapped()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3374:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3374 |       for (i=0; i<rotBondList.size(); i++)
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3427:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3427 |           for (i=0; i<inner_bonds.size(); i++) if (inner_bonds[i] != 0) {
      |                     ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3437:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3437 |           for (i=0; i<remainder.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::deleteIntElement(std::vector<int>*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3540:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 3540 |     for (i=0; i<source->size(); i++) if (i != index) {
      |                                          ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4216:19: warning: variable ‘nBondsOld’ set but not used [-Wunused-but-set-variable]
 4216 |     int nAtomsOld,nBondsOld,naDef1,naDef,i;
      |                   ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:15: warning: variable ‘test1’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |               ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:21: warning: variable ‘test2’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:40: warning: variable ‘xCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:48: warning: variable ‘yCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                                ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule* OpenBabel::TEditedMolecule::extractFragment(int, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                  ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:71: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                                                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4415:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4415 |     for (i=0; i<list.size(); i++) inverseList[list[i]]=i;
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4418:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4418 |     for (i=0; i<list.size(); i++) {
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4399:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4399 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TEditedMolecule::prepareQuery(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4591:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4591 |       for (j=0; j<queryInverse.size(); j++) queryInverse[j]=queryAQTested[j];
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4596:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4596 |       for (i=0; i<queryQHydr.size(); i++) queryQHydr[i]=queryBQTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4601:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4601 |       for (i=0; i<bSTestedStore.size(); i++) bSTestedStore[i]=bSTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::removeHydrogen(std::vector<int>*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4636:31: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 4636 |       if (qEnumerator->size() != nAtoms()) qEnumerator->resize(nAtoms());
      |           ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4637:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4637 |       for (i=0; i<qEnumerator->size(); i++) (*qEnumerator)[i]=i;
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4666:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4666 |             for (j=0; j<qEnumerator->size(); j++) {
      |                       ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TEditedMolecule::fragmentSearch(OpenBabel::TEditedMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4853:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4853 |     if (molecule1->listarSize()>aSTested.size()) aSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4854:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4854 |     if (molecule1->listarSize()>bSTested.size()) bSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4855:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4855 |     if (molecule1->listarSize()>queryQHydr.size()) queryQHydr.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4856:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4856 |     if (molecule1->listarSize()>queryAQTested.size()) queryAQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4857:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4857 |     if (molecule1->listarSize()>queryBQTested.size()) queryBQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4858:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4858 |     if (molecule1->listarSize()>queryCurrentAssignment.size()) queryCurrentAssignment.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4859:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4859 |     if (this->listarSize()>queryAQTested.size()) queryAQTested.resize(this->listarSize());
      |         ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5036:10: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 5036 |       if (test2) for (j=0; j<molecule1->nBonds(); j++) if (bSTested[j]>=0) (*bondLabel)[j]=1; else (*bondLabel)[j]=0;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4840:9: warning: variable ‘cycleNumber’ set but not used [-Wunused-but-set-variable]
 4840 |     int cycleNumber;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::loadTemplates()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5115:24: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 5115 |     } catch (exception ex) {
      |                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::internalBondsPresent(OpenBabel::TEditedMolecule*, OpenBabel::TSimpleMolecule*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5205:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5205 |     for (i=0; i<mQuery->nAtoms(); i++) aList[mQuery->queryAQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5206:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5206 |     for (i=0; i<mQuery->nBonds(); i++) bList[mQuery->queryBQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rotateBondVertically(OpenBabel::TSimpleMolecule*, std::vector<int>, int, double, double, double&, double&, double&, double&, double&, double&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5236:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5236 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5281:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5281 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::selectFragmentConfiguration(OpenBabel::TSimpleMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5315:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5315 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5332:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5332 |       for (i=0; i<bondListAll.size(); i++) bondList[i]=bondListAll[i];
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5362:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5362 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5372:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5372 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rescaleSingleFragment(OpenBabel::TSimpleMolecule*, std::vector<int>*, OpenBabel::PartFragmentDefinition&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5403:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5403 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5416:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5416 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5432:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5432 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TemplateRedraw::coordinatesPrepare(OpenBabel::TEditedMolecule&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5671:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5671 |     for (i=kk; i<queryData.size(); i++) if ((TEditedMolecule *)queryData[i]->fragmentSearch(&sm,nullptr)) {
      |                ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5719:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5719 |       for (i=0; i<enumerator.size(); i++) enumerator[i]=-1;
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5722:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5722 |       for (i=0; i<enumerator.size(); i++) if (enumerator[i]==-1) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5730:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5730 |         for (j=0; j<enumerator.size(); j++)  if (enumerator[j]==i) {
      |                   ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5802:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5802 |       for (i=0; i<groupsFind.size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5832:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5832 |     for (i=0; i<groupsFind.size(); i++) delete(groupsFind[i]);
      |               ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5660:9: warning: variable ‘naStore’ set but not used [-Wunused-but-set-variable]
 5660 |     int naStore;
      |         ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::redrawFine(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5898:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5898 |         for (j=0; j<atomList.size(); j++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5910:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5910 |       for (frCount=0; frCount<molList.size(); frCount++) {
      |                       ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5926:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5926 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5949:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5949 |       for (i=0; i<atomList.size(); i++) atomList[i]=i;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5964:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5964 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6004:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6004 |       for (i=0;i<frList.size(); i++) {
      |                ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6011:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6011 |       for (i=0; i<frList.size(); i++) {
      |                 ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6030:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6030 |     for (i=0; i<stereoBondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6038:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6038 |     for (i=0; i<stereoBondList.size(); i++) delete(stereoBondList[i]);
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6039:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6039 |     for (i=0; i<frList.size(); i++) delete(frList[i]);
      |               ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6040:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6040 |     for (i=0; i<molList.size(); i++) delete(molList[i]);
      |               ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6362:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 6362 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6363:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6363 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getAtomMCDL(OBMol*, int, std::vector<int>, std::vector<int>, std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6550:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6550 |         for (j=0; j<priority.size(); j++) priority[j]=0;
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6595:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6595 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6597:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6597 |           for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6603:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6603 |             for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6613:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6613 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-1;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6616:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6616 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-2;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6627:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6627 |       if (k == 1) for (i=0; i<anumStereo.size(); i++) if (anumStereo[i] == -1) {  //all parities should be changed to satisfy..
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6646:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6646 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getBondMCDL(OBMol*, int, int, std::vector<int>, std::vector<int>, int (*)[4], std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6847:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6847 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6849:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6849 |           for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6854:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6854 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6868:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6868 |                 for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6876:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6876 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) anumStereo[j]=-1;
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6891:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6891 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6684:26: warning: variable ‘n4’ set but not used [-Wunused-but-set-variable]
 6684 |     int i,j,n,m,n1,n2,n3,n4,an1,an2,an3,an4,k;
      |                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementAtomStereo(std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<double>, std::vector<double>, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6964:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6964 |         if (n1 < (astereo.length()-1)) astereo=astereo.substr(n1+1); else astereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementBondStereo(std::vector<int>, std::vector<int>, std::vector<double>&, std::vector<double>&, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7028:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7028 |         if (n1 < (bstereo.length()-1)) bstereo=bstereo.substr(n1+1); else bstereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7071:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7071 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7085:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7085 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::groupRedraw(OBMol*, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7163:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7163 |       for (i=0; i<atomList.size(); i++) allAtomList[atomList[i]]=1;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7171:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7171 |       for (int i=0; i<atomList.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::parseFormula(std::string, std::vector<int>&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7213:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7213 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7216:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7216 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7237:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7237 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7240:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7240 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4333:16: warning: ‘r1’ may be used uninitialized [-Wmaybe-uninitialized]
 4333 |         xNew=r1*scale*xu1+this->getAtom(thisAN)->rx;
      |              ~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4220:12: note: ‘r1’ was declared here
 4220 |     double r1;
      |            ^~
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘void OpenBabel::OBRotamerList::AddRotamer(std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:410:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  410 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:412:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  412 |                 while (angle > 360.0)
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘bool OpenBabel::OBRotamerList::SetCurrentCoordinates(OpenBabel::OBMol&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:543:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  543 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:545:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  545 |                 while (angle > 360.0)
      |                 ^~~~~
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[  9%] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotor.cpp.o -MF CMakeFiles/openbabel.dir/rotor.cpp.o.d -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tautomer.cpp.o -MF CMakeFiles/openbabel.dir/tautomer.cpp.o.d -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/tautomer.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/transform.cpp.o -MF CMakeFiles/openbabel.dir/transform.cpp.o.d -o CMakeFiles/openbabel.dir/transform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/typer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/typer.cpp.o -MF CMakeFiles/openbabel.dir/typer.cpp.o.d -o CMakeFiles/openbabel.dir/typer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/typer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o -MF CMakeFiles/openbabel.dir/obmolecformat.cpp.o.d -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -MF CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o.d -o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/dlhandler_unix.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/confsearch.cpp.o -MF CMakeFiles/openbabel.dir/confsearch.cpp.o.d -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:30,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In constructor ‘OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:134:66: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  134 |     vec.erase(std::remove_if(vec.begin(), vec.end(), std::bind2nd(std::less<double>(), (cutoff + 0.1) )), vec.end());
      |                                                      ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector<OpenBabel::vector3>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:189:14: warning: unused variable ‘min_rmsd’ [-Wunused-variable]
  189 |       double min_rmsd = DBL_MAX;
      |              ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:444:77: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = plus<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  444 |     transform(_energies.begin(), _energies.end(), _energies.begin(), bind2nd(std::plus<double>(), energy_offset));
      |                                                                      ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/conformersearch.cpp.o -MF CMakeFiles/openbabel.dir/conformersearch.cpp.o.d -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/conformersearch.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector<double*>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:250:12: warning: unused variable ‘score’ [-Wunused-variable]
  250 |     double score = ff->Energy(false); // no gradients
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘bool OpenBabel::OBConformerSearch::Setup(const OpenBabel::OBMol&, int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:352:23: warning: variable ‘end_it’ set but not used [-Wunused-but-set-variable]
  352 |       OBRotorIterator end_it = m_rotorList.EndRotors();
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::local_opt()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:790:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  790 |     for (i = 1; i <= m_rotorList.Size(); ++i, rotor = m_rotorList.NextRotor(ri))
      |                 ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::reproduce(OpenBabel::RotorKey&, OpenBabel::RotorKey&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:851:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  851 |     if (iniche > -1)
      |         ~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::share_fitness()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1006:37: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1006 |         if ((dynamic_niches.size () < nb_niches) && (dynamic_niches.size () %2))
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1021:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1021 |                     if (dist < min_dist )
      |                         ~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1034:18: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1034 |         if (imax == -1)
      |             ~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1051:40: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1051 |             if (dynamic_niches.size () < nb_niches)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:977:10: warning: unused variable ‘flag_niched’ [-Wunused-variable]
  977 |     bool flag_niched = false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘double OpenBabel::OBConformerSearch::sharing_generation()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1140:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1140 |     while (ninsert < ((half_pop * 2) / 3))
      |            ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1149:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1149 |             if (iround < imax)
      |                 ~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1157:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1157 |                     if (ninsert >= half_pop)
      |                         ~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1182:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1182 |     while (ninsert < half_pop)
      |            ~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:23: warning: unused variable ‘lowest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:37: warning: unused variable ‘highest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘OpenBabel::OBConformerSearch::MakeSelection()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:550:31: warning: ‘highest’ may be used uninitialized [-Wmaybe-uninitialized]
  550 |     double sum = 0.0, lowest, highest;
      |                               ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -MF CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o.d -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h: In constructor ‘OpenBabel::SVGPainter::SVGPainter(std::ostream&, std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >*, bool, double, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:77:11: warning: ‘OpenBabel::SVGPainter::m_fontPointSize’ will be initialized after [-Wreorder]
   77 |       int m_fontPointSize;
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning:   ‘bool OpenBabel::SVGPainter::m_isFillcolor’ [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning: ‘OpenBabel::SVGPainter::m_isFillcolor’ will be initialized after [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:74:32: warning:   ‘std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >* OpenBabel::SVGPainter::m_Gradients’ [-Wreorder]
   74 |       std::set<ColorGradient> *m_Gradients;
      |                                ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -MF CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o.d -o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/matrix3x3.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o -MF CMakeFiles/openbabel.dir/math/transform3d.cpp.o.d -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/transform3d.cpp
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[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/depict.cpp.o -MF CMakeFiles/openbabel.dir/depict/depict.cpp.o.d -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In function ‘unsigned int OpenBabel::GetAtomSymClass(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:284:11: warning: unused variable ‘nclasses’ [-Wunused-variable]
  284 |       int nclasses = end_pos - copy_sym.begin();
      |           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘virtual void OpenBabel::OBDepictPrivate::DrawAtomLabel(const std::string&, int, const OpenBabel::vector3&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1024:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1024 |       OBFontMetrics metrics = painter->GetFontMetrics(str);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1029:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1029 |       OBFontMetrics metrics = painter->GetFontMetrics(subscript);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘void OpenBabel::OBDepictPrivateBallAndStick::DrawAromaticRingBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, const OpenBabel::vector3&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:99: warning: expression does not compute the number of elements in this array; element type is ‘const float’, not ‘double’ [-Wsizeof-array-div]
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:100: note: add parentheses around ‘sizeof (double)’ to silence this warning
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                                    ^~~~~~~~~~~~~~
      |                                                                                                    (             )
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1237:24: note: array ‘dashpattern’ declared here
 1237 |     static const float dashpattern[] = {5., 5.};
      |                        ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘min_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:14: note: ‘min_x’ was declared here
  435 |       double min_x, max_x;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘max_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:21: note: ‘max_x’ was declared here
  435 |       double min_x, max_x;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘min_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:14: note: ‘min_y’ was declared here
  436 |       double min_y, max_y;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘max_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:21: note: ‘max_y’ was declared here
  436 |       double min_y, max_y;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘min_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:14: note: ‘min_z’ was declared here
  437 |       double min_z, max_z;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘max_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:21: note: ‘max_z’ was declared here
  437 |       double min_z, max_z;
      |                     ^~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o -MF CMakeFiles/openbabel.dir/stereo/facade.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/facade.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/facade.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -MF CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/align.cpp.o -MF CMakeFiles/openbabel.dir/math/align.cpp.o.d -o CMakeFiles/openbabel.dir/math/align.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/align.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o -MF CMakeFiles/openbabel.dir/stereo/perception.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘bool OpenBabel::TetStereoToWedgeHash(OBMol&, std::map<OBBond*, OBStereo::BondDirection>&, std::map<OBBond*, long unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2795:5: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation]
 2795 |     for (std::vector<OBGenericData*>::iterator data = vdata.begin(); data != vdata.end(); ++data)
      |     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2951:7: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’
 2951 |       return true;
      |       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::StereoRefToImplicit(OBMol&, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                ^~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441,
                 from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/stereo.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetranonplanar.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetrahedral.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:26:
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:88: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                                                                           ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::ImplicitRefToStereo(OBMol&, OBStereo::Ref, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                ^~~~~~~~~
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:93: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                                                                                ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/distgeom.cpp.o -MF CMakeFiles/openbabel.dir/distgeom.cpp.o.d -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:54: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   54 | #pragma warning(disable : 4244) // warning C4244: '=' : conversion from 'double' to 'float', possible loss of data
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:55: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   55 | #pragma warning(disable : 4305) // warning C4305: '*=' : truncation from 'double' to 'float'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:619:3: warning: multi-line comment [-Wcomment]
  619 |   //              \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::generateInitialCoords()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1089:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1089 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1090:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1090 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::firstMinimization()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1136:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1136 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1137:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1137 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1115:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1115 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::minimizeFourthDimension()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1160:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1160 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1325:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1325 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc4D::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1452:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1452 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:337:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h: In function ‘Eigen::internal::selfadjoint_product_impl<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false>, 17, false, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const>, 0, true>::run<Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false> >(Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false>&, Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const&, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const> const&, double const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:229:7: warning: ‘result_66’ may be used uninitialized [-Wmaybe-uninitialized]
  227 |     internal::selfadjoint_matrix_vector_product<Scalar, Index, (internal::traits<ActualLhsTypeCleaned>::Flags&RowMajorBit) ? RowMajor : ColMajor,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  228 |                                                 int(LhsUpLo), bool(LhsBlasTraits::NeedToConjugate), bool(RhsBlasTraits::NeedToConjugate)>::run
      |                                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  229 |       (
      |       ^
  230 |         lhs.rows(),                             // size
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  231 |         &lhs.coeffRef(0,0),  lhs.outerStride(), // lhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  232 |         actualRhsPtr,                           // rhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  233 |         actualDestPtr,                          // result info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  234 |         actualAlpha                             // scale factor
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  235 |       );
      |       ~
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:41:6: note: by argument 4 of type ‘const double *’ to ‘Eigen::internal::selfadjoint_matrix_vector_product<double, long, 0, 1, false, false, 0>::run(long, double const*, long, double const*, double*, double)’ declared here
   41 | void selfadjoint_matrix_vector_product<Scalar,Index,StorageOrder,UpLo,ConjugateLhs,ConjugateRhs,Version>::run(
      |      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/openbabel.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/openbabel.dir/link.d -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libopenbabel.so.7 -o ../lib64/libopenbabel.so.7.0.0 CMakeFiles/openbabel.dir/alias.cpp.o CMakeFiles/openbabel.dir/atom.cpp.o CMakeFiles/openbabel.dir/base.cpp.o CMakeFiles/openbabel.dir/bitvec.cpp.o CMakeFiles/openbabel.dir/bond.cpp.o CMakeFiles/openbabel.dir/bondtyper.cpp.o CMakeFiles/openbabel.dir/builder.cpp.o CMakeFiles/openbabel.dir/canon.cpp.o CMakeFiles/openbabel.dir/chains.cpp.o CMakeFiles/openbabel.dir/chargemodel.cpp.o CMakeFiles/openbabel.dir/data.cpp.o CMakeFiles/openbabel.dir/data_utilities.cpp.o CMakeFiles/openbabel.dir/descriptor.cpp.o CMakeFiles/openbabel.dir/elements.cpp.o CMakeFiles/openbabel.dir/fingerprint.cpp.o CMakeFiles/openbabel.dir/forcefield.cpp.o CMakeFiles/openbabel.dir/format.cpp.o CMakeFiles/openbabel.dir/generic.cpp.o CMakeFiles/openbabel.dir/graphsym.cpp.o CMakeFiles/openbabel.dir/grid.cpp.o CMakeFiles/openbabel.dir/griddata.cpp.o CMakeFiles/openbabel.dir/isomorphism.cpp.o CMakeFiles/openbabel.dir/kekulize.cpp.o CMakeFiles/openbabel.dir/locale.cpp.o CMakeFiles/openbabel.dir/matrix.cpp.o CMakeFiles/openbabel.dir/mcdlutil.cpp.o CMakeFiles/openbabel.dir/molchrg.cpp.o CMakeFiles/openbabel.dir/mol.cpp.o CMakeFiles/openbabel.dir/obconversion.cpp.o CMakeFiles/openbabel.dir/oberror.cpp.o CMakeFiles/openbabel.dir/obfunctions.cpp.o CMakeFiles/openbabel.dir/obiter.cpp.o CMakeFiles/openbabel.dir/obutil.cpp.o CMakeFiles/openbabel.dir/op.cpp.o CMakeFiles/openbabel.dir/parsmart.cpp.o CMakeFiles/openbabel.dir/patty.cpp.o CMakeFiles/openbabel.dir/phmodel.cpp.o CMakeFiles/openbabel.dir/plugin.cpp.o CMakeFiles/openbabel.dir/pointgroup.cpp.o CMakeFiles/openbabel.dir/query.cpp.o CMakeFiles/openbabel.dir/rand.cpp.o CMakeFiles/openbabel.dir/reactionfacade.cpp.o CMakeFiles/openbabel.dir/residue.cpp.o CMakeFiles/openbabel.dir/ring.cpp.o CMakeFiles/openbabel.dir/rotamer.cpp.o CMakeFiles/openbabel.dir/rotor.cpp.o CMakeFiles/openbabel.dir/spectrophore.cpp.o CMakeFiles/openbabel.dir/tautomer.cpp.o CMakeFiles/openbabel.dir/tokenst.cpp.o CMakeFiles/openbabel.dir/transform.cpp.o CMakeFiles/openbabel.dir/typer.cpp.o CMakeFiles/openbabel.dir/obmolecformat.cpp.o CMakeFiles/openbabel.dir/conformersearch.cpp.o CMakeFiles/openbabel.dir/confsearch.cpp.o CMakeFiles/openbabel.dir/distgeom.cpp.o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o CMakeFiles/openbabel.dir/depict/depict.cpp.o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o CMakeFiles/openbabel.dir/math/transform3d.cpp.o CMakeFiles/openbabel.dir/math/vector3.cpp.o CMakeFiles/openbabel.dir/math/align.cpp.o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o CMakeFiles/openbabel.dir/stereo/perception.cpp.o CMakeFiles/openbabel.dir/stereo/facade.cpp.o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o  -lm -ldl -lz
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘CreateAtom’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:457:53: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  457 |             AtomSpec *tmp = new AtomSpec[pat->aalloc];
      |                                                     ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:463:47: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  463 |           pat->atom = new AtomSpec[pat->aalloc];
      |                                               ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/groupcontrib.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual bool OpenBabel::PatternFP::GetFingerprint(OpenBabel::OBBase*, std::vector<unsigned int>&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:109:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  109 |     while(n < _bitcount)
      |           ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual std::string OpenBabel::PatternFP::DescribeBits(std::vector<unsigned int>, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
  258 |         ngrp = (num + div -1)/div--; //rounds up
      |                               ~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp: In member function ‘virtual bool OpenBabel::OpChangeCell::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:88:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
   88 |   for(int i = 0; i < vcvs.size(); i++)
      |                  ~~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:119:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  119 |     for(int i = 0; i < vcvs.size(); i++)
      |                    ~~^~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocamake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
tor<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 18%] Linking CXX shared module ../lib64/plugin_fingerprints.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_fingerprints.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Built target plugin_fingerprints
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Linking CXX shared module ../lib64/plugin_descriptors.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_descriptors.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Built target plugin_descriptors
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eem.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp: In member function ‘virtual bool OpenBabel::OpMinimize::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:265:10: warning: unused variable ‘done’ [-Wunused-variable]
  265 |     bool done = true;
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/none.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(Opemake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
nBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: warning: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::_M_realloc_append<OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::_M_realloc_append<OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/largest.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp: In member function ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:102:36: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  102 |                 for ( int i = 1; i <= mol.NumAtoms(); i++)
      |                                  ~~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/loader.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp: In member function ‘virtual bool OpenBabel::OpSplit::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:92:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   92 |   if(!pConv)
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:95:5: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   95 |     if(pConv->IsFirstInput())
      |     ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = true]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:37:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                          ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = false]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:54:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                          ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: warning: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
ieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ may be used uninitialized [-Wmaybe-uninitialized]
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘anglecalc.n’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘anglecalc.n’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/phmodel.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:32: warning: variable ‘bondtype1’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:43: warning: variable ‘bondtype2’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:40:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:58:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                                             ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:41:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                            ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:60:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                                              ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:42:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                            ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:62:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                                               ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:43:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                            ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:64:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                                                ~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:39:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:56:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:39:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:56:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:49:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                            ~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:76:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                                                      ~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::PerceiveAromatic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘index’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:12: note: ‘index’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘first_rj’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:29: note: ‘first_rj’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |                             ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:44:
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ may be used uninitialized [-Wmaybe-uninitialized]
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&strbndcalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_c’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_c’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: warning: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: warning: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4329:13: warning: ‘etot’ may be used uninitialized [-Wmaybe-uninitialized]
 4329 |       delta = (Energy() - etot);
      |       ~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:12: note: ‘etot’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |            ^~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4301:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘ebond’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:18: note: ‘ebond’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4305:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eangle’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:25: note: ‘eangle’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                         ^~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4313:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eoop’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:33: note: ‘eoop’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                 ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4309:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘estbn’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:39: note: ‘estbn’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                       ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4317:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘etor’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:46: note: ‘etor’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                              ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4321:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘evdw’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:52: note: ‘evdw’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                    ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4325:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eeq’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:58: note: ‘eeq’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                          ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/sort.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:32:28: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   32 | struct Order : public std::binary_function<std::pair<OBBase*,T>, std::pair<OBBase*,T>, bool>
      |                            ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.h:15,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp: In member function ‘virtual bool OpenBabel::OpNewS::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:303:28: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  303 |     if(pmol->NumHvyAtoms() != nPatternAtoms)
      |        ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmilesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o -MF CMakeFiles/smilesformat.dir/smilesformat.cpp.o.d -o CMakeFiles/smilesformat.dir/smilesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In constructor ‘OpenBabel::OBSmilesParser::OBSmilesParser(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:291:10: warning: ‘OpenBabel::OBSmilesParser::_preserve_aromaticity’ will be initialized after [-Wreorder]
  291 |     bool _preserve_aromaticity;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:289:9: warning:   ‘int OpenBabel::OBSmilesParser::_rxnrole’ [-Wreorder]
  289 |     int _rxnrole;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:318:5: warning:   when initialized here [-Wreorder]
  318 |     OBSmilesParser(bool preserve_aromaticity=false): _preserve_aromaticity(preserve_aromaticity), _rxnrole(1) { }
      |     ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBSmilesParser::ParseSmiles(OpenBabel::OBMol&, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:655:15: warning: variable ‘atom’ set but not used [-Wunused-but-set-variable]
  655 |       OBAtom* atom;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘int OpenBabel::OBSmilesParser::NumConnections(OpenBabel::OBAtom*, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2200:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2200 |     if (idx-1 < _hcount.size() && _hcount[idx-1] > 0)
      |         ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2685:10: warning: variable ‘symbol’ set but not used [-Wunused-but-set-variable]
 2685 |     char symbol[10];
      |          ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2689:10: warning: unused variable ‘normalValence’ [-Wunused-variable]
 2689 |     bool normalValence = true;
      |          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2690:10: warning: unused variable ‘writeExplicitHydrogen’ [-Wunused-variable]
 2690 |     bool writeExplicitHydrogen = false;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::BuildCanonTree(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::vector<unsigned int>&, OpenBabel::OBCanSmiNode*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3139:22: warning: unused variable ‘bond_order’ [-Wunused-variable]
 3139 |         unsigned int bond_order = bond->GetBondOrder();
      |                      ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3134:20: warning: unused variable ‘nbr_bond_order’ [-Wunused-variable]
 3134 |       unsigned int nbr_bond_order = nbr_bond->GetBondOrder();
      |                    ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘std::vector<OpenBabel::OBBondClosureInfo> OpenBabel::OBMol2Cansmi::GetCanonClosureDigits(OpenBabel::OBAtom*, OpenBabel::OBBitVec&, std::vector<unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3286:11: warning: unused variable ‘bo’ [-Wunused-variable]
 3286 |       int bo = (bond1->IsAromatic())? 1 : bond1->GetBondOrder();  // CJ: why was this line added?  bo is never used?
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘void OpenBabel::OBMol2Cansmi::CreateFragCansmiString(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3899:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3899 |         for (int i=0; i<atom_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3905:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3905 |         for (int i=0; i<canonical_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2865 |           snprintf(tcount, 10, "%d", hcount);
      |                                   ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2857 |           snprintf(tcount, 10, "%d", i);
      |                                   ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:32: warning: ‘%d’ directive output may be truncated writing between 1 and 11 bytes into a region of size 8 [-Wformat-truncation=]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:31: note: directive argument in the range [-2147483648, 99]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                               ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 12 bytes into a destination of size 8
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/xout.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp: In member function ‘virtual bool OpenBabel::OpConformer::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                 ~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:42: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                                        ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Linking CXX shared module ../../lib64/smilesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smilesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Built target smilesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp: In member function ‘void OpenBabel::OpConfab::Run(OpenBabel::OBConversion*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:167:14: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  167 |     for (; c < mol.NumConformers(); ++c) {
      |            ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_forcefields.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 25%] Linking CXX shared module ../lib64/plugin_ops.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_ops.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o -MF CMakeFiles/mdlformat.dir/mdlformat.cpp.o.d -o CMakeFiles/mdlformat.dir/mdlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int MDLValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   51 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   51 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   64 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   64 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   77 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   77 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   90 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   90 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  103 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  103 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  116 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  116 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  119 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  119 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  121 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  121 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  134 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  134 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  137 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  137 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  139 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  139 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  152 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  152 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  155 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  155 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  157 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  157 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  170 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  170 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  173 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  173 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  175 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  175 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  188 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  188 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  191 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  191 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  193 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  193 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  206 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  206 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  209 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  209 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  211 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  211 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  223 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  223 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  226 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  226 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  228 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  228 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  240 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  240 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  243 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  243 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  245 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  245 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  257 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  257 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  260 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  260 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  262 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  262 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  274 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  274 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  277 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  277 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  279 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  279 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  291 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  291 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  294 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  294 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  296 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  296 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  298 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  298 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  310 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  310 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  313 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  313 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  315 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  315 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  317 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  317 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  329 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  329 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  332 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  332 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  334 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  334 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  336 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  336 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  348 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  348 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  351 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  351 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  353 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  353 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  355 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  355 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  367 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  367 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  370 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  370 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  372 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  372 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  374 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  374 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  385 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  385 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  388 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  388 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  390 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  390 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  392 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  392 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  394 |               if (val <= 3) return 3;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  394 |               if (val <= 3) return 3;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int HYDValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:416:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  416 |   if (val > impval) {
      |       ~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘bool OpenBabel::MDLFormat::ReadAtomBlock(std::istream&, OpenBabel::OBMol&, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1488:10: warning: unused variable ‘chiralWatch’ [-Wunused-variable]
 1488 |     bool chiralWatch=false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:27: warning: ‘%02d’ directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:22: note: directive argument in the range [-2147483648, 2147483547]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                      ^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/iomanip:47,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:27:
In function ‘snprintf’,
    inlined from ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:13:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 11 and 56 bytes into a destination of size 11
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::CisTransFromUpDown(OpenBabel::OBMol*, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection, std::less<OpenBabel::OBBond*>, std::allocator<std::pair<OpenBabel::OBBond* const, OpenBabel::OBStereo::BondDirection> > >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a1_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:31: note: ‘a1_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                               ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a2_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:42: note: ‘a2_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                                          ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmol2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o -MF CMakeFiles/mol2format.dir/mol2format.cpp.o.d -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual bool OpenBabel::MOL2Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:422:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  422 |               if(aid <= mol.NumAtoms())
      |                  ~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual int OpenBabel::MOL2Format::SkipObjects(int, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:785:10: warning: unused variable ‘ch’ [-Wunused-variable]
  785 |     char ch = ifs.peek();
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:86:15: warning: ‘bool OpenBabel::IsThiocarboxylSulfur(OBAtom*)’ defined but not used [-Wunused-function]
   86 |   static bool IsThiocarboxylSulfur(OBAtom* queryatom)
      |               ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Linking CXX shared module ../../lib64/mol2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mol2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target mol2format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Linking CXX shared module ../../lib64/mdlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Built target mdlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 23%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o -MF CMakeFiles/asciiformat.dir/asciiformat.cpp.o.d -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -MF CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o.d -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp: In member function ‘virtual void OpenBabel::ASCIIPainter::DrawText(double, double, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp:118:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  118 |     for (int i=0; i<text.size(); ++i) {
      |                   ~^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o -MF CMakeFiles/pdbformat.dir/pdbformat.cpp.o.d -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:615:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const int’ [-Wsign-compare]
  615 |               if (origin == pUC->GetSpaceGroup()->HEXAGONAL_ORIGIN)
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  684 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:70: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  702 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                      ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:35: warning: ‘%+d’ directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                   ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 3 and 7 bytes into a destination of size 3
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32761 [-Wstringop-truncation]
  303 |     strncpy(integerBuffer, buffer+columnAsSpecifiedInPDB-1, 5);
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32756 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32751 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32746 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32741 [-Wstringop-truncation]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Linking CXX shared module ../../lib64/asciiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/asciiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.cpp.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Built target asciiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 28%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o -MF CMakeFiles/inchiformat.dir/getinchi.cpp.o.d -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o -MF CMakeFiles/inchiformat.dir/inchiformat.cpp.o.d -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp: In member function ‘virtual bool OpenBabel::InChIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:193:52: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  193 |         if ( !(a->GetId() == ct->end || a->GetId() == stereo.neighbor[0] ) ) {
      |                                         ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:199:54: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  199 |         if ( !(b->GetId() == ct->begin || b->GetId() == stereo.neighbor[3] ) ) {
      |                                           ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcopyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o -MF CMakeFiles/copyformat.dir/copyformat.cpp.o.d -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/copyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/copyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target copyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -MF CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o.d -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Linking CXX shared module ../../lib64/pdbformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target pdbformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o -MF CMakeFiles/MNAformat.dir/MNAformat.cpp.o.d -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molreport.dir/molreport.cpp.o -MF CMakeFiles/molreport.dir/molreport.cpp.o.d -o CMakeFiles/molreport.dir/molreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/molreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molreport.so CMakeFiles/molreport.dir/molreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target molreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/MNAformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MNAformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Built target MNAformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/inchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/inchiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.cpp.o CMakeFiles/inchiformat.dir/getinchi.cpp.o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Built target inchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnulformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o -MF CMakeFiles/nulformat.dir/nulformat.cpp.o.d -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/nulformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/nulformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target nulformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 31%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o -MF CMakeFiles/painterformat.dir/painterformat.cpp.o.d -o CMakeFiles/painterformat.dir/painterformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp: In member function ‘virtual bool OpenBabel::PainterFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:114:12: warning: unused variable ‘ofs’ [-Wunused-variable]
  114 |   ostream& ofs = *pConv->GetOutStream();
      |            ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -MF CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o.d -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/commandpainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpovrayformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o -MF CMakeFiles/povrayformat.dir/povrayformat.cpp.o.d -o CMakeFiles/povrayformat.dir/povrayformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘void OpenBabel::PovrayFormat::OutputHeader(std::ostream&, OpenBabel::OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:173:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  173 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In function ‘void OpenBabel::OutputCSTBonds(std::ostream&, OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:526:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  526 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:587:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  587 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘virtual bool OpenBabel::PovrayFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:807:17: warning: unused variable ‘title’ [-Wunused-variable]
  807 |     const char* title = pmol->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/painterformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dreportformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o -MF CMakeFiles/reportformat.dir/reportformat.cpp.o.d -o CMakeFiles/reportformat.dir/reportformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/reportformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target reportformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/povrayformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target povrayformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtextformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/textformat.dir/textformat.cpp.o -MF CMakeFiles/textformat.dir/textformat.cpp.o.d -o CMakeFiles/textformat.dir/textformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 33%] Linking CXX shared module ../../lib64/textformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/textformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 33%] Built target textformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
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[ 32%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsvgformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o -MF CMakeFiles/svgformat.dir/svgformat.cpp.o.d -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:226:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  226 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:248:18: warning: unused variable ‘n’ [-Wunused-variable]
  248 |     unsigned int n=0;
      |                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:273:8: warning: unused variable ‘ret’ [-Wunused-variable]
  273 |   bool ret = WriteSVG(pConv,_objects);
      |        ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtitleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o -MF CMakeFiles/titleformat.dir/titleformat.cpp.o.d -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../../lib64/titleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/titleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target titleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/svgformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target svgformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpngformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o -MF CMakeFiles/pngformat.dir/pngformat.cpp.o.d -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:13:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/pngformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pngformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target pngformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dconfabreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o -MF CMakeFiles/confabreport.dir/confabreport.cpp.o.d -o CMakeFiles/confabreport.dir/confabreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp: In member function ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:129:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  129 |     for (int i=1; i < binvals.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:134:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  134 |     for (int i=1; i < cumbins.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/confabreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/confabreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target confabreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../lib64/plugin_charges.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_charges.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target plugin_charges
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dabinitformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o -MF CMakeFiles/abinitformat.dir/abinitformat.cpp.o.d -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp: In member function ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:99:12: warning: variable ‘acell’ set but not used [-Wunused-but-set-variable]
   99 |     double acell[3]; // scale of lattice vectors
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:212:23: warning: ‘natom’ may be used uninitialized [-Wmaybe-uninitialized]
  212 |     for (int i = 0; i < natom; ++i) {
      |                     ~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:90:9: note: ‘natom’ was declared here
   90 |     int natom;
      |         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o -MF CMakeFiles/acesformat.dir/acesformat.cpp.o.d -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/abinitformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/abinitformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target abinitformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/acesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target acesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Daoforceformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -MF CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o.d -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcastepformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o -MF CMakeFiles/castepformat.dir/castepformat.cpp.o.d -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘pressure’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:12: note: ‘pressure’ was declared here
   94 |     double pressure, volume, enthalpy;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘volume’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:22: note: ‘volume’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                      ^~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:211:17:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:30: note: ‘enthalpy’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                              ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/aoforceformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/aoforceformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Built target aoforceformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dadfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o -MF CMakeFiles/adfformat.dir/adfformat.cpp.o.d -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:46:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp: In member function ‘bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Linking CXX shared module ../../lib64/castepformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/castepformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Built target castepformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrystal09format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o -MF CMakeFiles/crystal09format.dir/crystal09format.cpp.o.d -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddaltonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o -MF CMakeFiles/daltonformat.dir/daltonformat.cpp.o.d -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:148:9: warning: variable ‘atomcount’ set but not used [-Wunused-but-set-variable]
  148 |     int atomcount = 0; // for each atom type
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:312:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  312 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:332:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  332 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o -MF CMakeFiles/dmolformat.dir/dmolformat.cpp.o.d -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 37%] Linking CXX shared module ../../lib64/dmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dmolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 37%] Built target dmolformat
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/adfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/daltonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 38%] Built target daltonformat
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/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/crystal09format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 38%] Built target crystal09format
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/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
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[ 38%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -MF CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o.d -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/fhiaimsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhiaimsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Built target fhiaimsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfchkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o -MF CMakeFiles/fchkformat.dir/fchkformat.cpp.o.d -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/functional:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp: In member function ‘virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:596:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  596 |         if (alphaorb_found && (numAOrb > alphaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:609:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  609 |         if (betaorb_found &&  (numBOrb > betaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:668:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less_equal<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  668 |                                    bind2nd(less_equal<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:671:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  671 |                                    bind2nd(greater<int>(), MxBond)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:674:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  674 |                                    bind2nd(less<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:677:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  677 |                                    bind2nd(greater<int>(), Natoms)))
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:700:40: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  700 |     if (numAOrb > 0 && alphaorb.size() == numAOrb) {
      |                        ~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:704:41: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  704 |       if (numBOrb > 0 && betaorb.size() == numBOrb) {  // open shell calculation
      |                          ~~~~~~~~~~~~~~~^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -MF CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o.d -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp: In member function ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:432:25: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBGridData*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  432 |       while (vgd.size() < nCubes)
      |              ~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:479:26: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  479 |     while (values.size() < n*nCubes)
      |            ~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:114:17: warning: unused variable ‘title’ [-Wunused-variable]
  114 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/fchkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fchkformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Built target fchkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgaussformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o -MF CMakeFiles/gaussformat.dir/gaussformat.cpp.o.d -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/data.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘void OpenBabel::add_unique_pairdata_to_mol(OBMol*, std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:285:19: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  285 |     if (vs.size() >= start)
      |         ~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:288:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  288 |         for(i=start+1; (i<vs.size()); i++)
      |                         ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘int OpenBabel::extract_thermo(OBMol*, std::string, double, double, double, double, double, double, int, std::vector<double>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:339:17: warning: unused variable ‘pg’ [-Wunused-variable]
  339 |     const char *pg = obPG.IdentifyPointGroup();
      |                 ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/gausscubeformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausscubeformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Built target gausscubeformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o -MF CMakeFiles/gamessformat.dir/gamessformat.cpp.o.d -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:587:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  587 |             for (unsigned int i=0; i < modeCount;  ++i) {
      |                                    ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:233:9: warning: variable ‘ndummyatoms’ set but not used [-Wunused-but-set-variable]
  233 |     int ndummyatoms = 0;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:27: warning: ‘lowFreqModesBegin’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                 ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:244:9: note: ‘lowFreqModesBegin’ was declared here
  244 |     int lowFreqModesBegin;           // the number of the first low frequency mode
      |         ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:60: warning: ‘lowFreqModesEnd’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                                                  ~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:245:9: note: ‘lowFreqModesEnd’ was declared here
  245 |     int lowFreqModesEnd;             // the number of the last low frequency mode
      |         ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -MF CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o.d -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/gausszmatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausszmatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target gausszmatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgulpformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o -MF CMakeFiles/gulpformat.dir/gulpformat.cpp.o.d -o CMakeFiles/gulpformat.dir/gulpformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp: In member function ‘OpenBabel::GULPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:359:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  359 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:12: note: ‘enthalpy_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:360:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  360 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:25: note: ‘pv_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/gulpformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gulpformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target gulpformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dhinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o -MF CMakeFiles/hinformat.dir/hinformat.cpp.o.d -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/hinformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/hinformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target hinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/gaussformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gaussformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target gaussformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gamessformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gamessformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target gamessformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Djaguarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -MF CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o.d -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/jaguarformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/jaguarformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target jaguarformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolproformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o -MF CMakeFiles/molproformat.dir/molproformat.cpp.o.d -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/molproformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molproformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target molproformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpwscfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -MF CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o.d -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:282:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:12: note: ‘enthalpy’ was declared here
   98 |     double enthalpy, pv;
      |            ^~~~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:284:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘pv’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:22: note: ‘pv’ was declared here
   98 |     double enthalpy, pv;
      |                      ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmopacformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o -MF CMakeFiles/mopacformat.dir/mopacformat.cpp.o.d -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘virtual bool OpenBabel::MOPACCARTFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:650:19: warning: variable ‘isotopeMass’ set but not used [-Wunused-but-set-variable]
  650 |     double x,y,z, isotopeMass;
      |                   ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:12: warning: ‘x’ may be used uninitialized [-Wmaybe-uninitialized]
   81 |     double x,y,z;
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:14: warning: ‘y’ may be used uninitialized [-Wmaybe-uninitialized]
   81 |     double x,y,z;
      |              ^
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/pwscfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pwscfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Built target pwscfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnwchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -MF CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o.d -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadCoordinates(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:228:72: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  228 |             if ((i>=natoms) || (molecule->GetAtom(i+1)->GetAtomicNum() != atoi(vs[2].c_str())))
      |                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMultipoleMoment(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:306:17: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
  306 |         else if (vs[0][0] == '1')
      |                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:423:56: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  423 |             if (molecule->GetAtom(i++)->GetAtomicNum() != charge)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:571:25: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  571 |     if (energies.size() != molecule->NumConformers())
      |         ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:932:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  932 |                 if (atoi(buffer) != natoms)
      |                     ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:111:20: warning: ‘OpenBabel::BETA_ORBITAL_PATTERN’ defined but not used [-Wunused-variable]
  111 | static const char* BETA_ORBITAL_PATTERN = "Beta";
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:957:21: warning: ‘nbeads’ may be used uninitialized [-Wmaybe-uninitialized]
  957 |                     if (bead_number != nbeads)
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:900:18: note: ‘nbeads’ was declared here
  900 |     unsigned int nbeads;
      |                  ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadSinglePointCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:772:5: warning: ‘energy’ may be used uninitialized [-Wmaybe-uninitialized]
  772 |     if (energy == 0)
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:750:12: note: ‘energy’ was declared here
  750 |     double energy;
      |            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dqchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o -MF CMakeFiles/qchemformat.dir/qchemformat.cpp.o.d -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp: In member function ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:194:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  194 |             if (nbAtomRead != mol.NumAtoms())
      |                 ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/mopacformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mopacformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target mopacformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
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[ 44%] Linking CXX shared module ../../lib64/qchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/qchemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 44%] Built target qchemformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsiestaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o -MF CMakeFiles/siestaformat.dir/siestaformat.cpp.o.d -o CMakeFiles/siestaformat.dir/siestaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp: In member function ‘virtual bool OpenBabel::SIESTAFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:92:10: warning: variable ‘coordsAreAngstrom’ set but not used [-Wunused-but-set-variable]
   92 |     bool coordsAreAngstrom = false;
      |          ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:98:12: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
   98 |     size_t size;
      |            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:102:30: warning: unused variable ‘numSpecies’ [-Wunused-variable]
  102 |     int atomicNum, numAtoms, numSpecies;
      |                              ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -MF CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o.d -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/nwchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/nwchemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target nwchemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/turbomoleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/siestaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxsfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o -MF CMakeFiles/xsfformat.dir/xsfformat.cpp.o.d -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/zindoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/zindoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target zindoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/xsfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xsfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target xsfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dvaspformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o -MF CMakeFiles/vaspformat.dir/vaspformat.cpp.o.d -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:451:17: warning: unused variable ‘freqnum’ [-Wunused-variable]
  451 |             int freqnum = atoi(vs[0].c_str());
      |                 ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:535:35: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = not_equal_to<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  535 |                       std::bind2nd(std::not_equal_to<double>(), 0.0));
      |                       ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:589:36: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = divides<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  589 |                        std::bind2nd(std::divides<double>(), max / 100.0));
      |                        ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:668:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBAtom*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  668 |     for(int i = 0; i < atoms_sorted.size(); i++)
      |                    ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:410:21: warning: ‘fermi’ may be used uninitialized [-Wmaybe-uninitialized]
  410 |         dos->SetData(fermi, energies, densities, integration);
      |         ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:392:14: note: ‘fermi’ was declared here
  392 |       double fermi;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:556:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  556 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:12: note: ‘enthalpy_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:557:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  557 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:25: note: ‘pv_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o -MF CMakeFiles/APIInterface.dir/APIInterface.cpp.o.d -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessukformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -MF CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o.d -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadInitialCartesian(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:787:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  787 |     bool ok=false;
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz1(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:853:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  853 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz2(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:900:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  900 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSUKOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:1215:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
 1215 |       bool ok;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/APIInterface.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/APIInterface.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target APIInterface
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o -MF CMakeFiles/CSRformat.dir/CSRformat.cpp.o.d -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp: In member function ‘OpenBabel::CSRFormat::PadString(char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: warning: ‘__strncpy_chk’ output truncated before terminating nul copying as many bytes from a string as its length [-Wstringop-truncation]
  192 |     strncpy(output, input, strlen(input));
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: note: length computed here
  192 |     strncpy(output, input, strlen(input));
      |     ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/CSRformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/CSRformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target CSRformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/vaspformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/vaspformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dorcaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o -MF CMakeFiles/orcaformat.dir/orcaformat.cpp.o.d -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp: In member function ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:348:33: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  348 |                 while(vs.size() == nColumn+1) {
      |                       ~~~~~~~~~~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:363:48: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  363 |                     for (unsigned int i = 0; i < nColumn; i++) {
      |                                              ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:375:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  375 |                 for (unsigned int i = 0; i < nColumn; i++) {
      |                                          ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:131:12: warning: unused variable ‘energy’ [-Wunused-variable]
  131 |     double energy=0;
      |            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:138:9: warning: variable ‘nModeAll’ set but not used [-Wunused-but-set-variable]
  138 |     int nModeAll = 0;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:217:39: warning: ‘confCoords’ may be used uninitialized [-Wmaybe-uninitialized]
  217 |                     confCoords[i*3+2] = z;
      |                     ~~~~~~~~~~~~~~~~~~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:149:13: note: ‘confCoords’ was declared here
  149 |     double* confCoords;
      |             ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:220:36: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  220 |                     atom->SetVector(x,y,z); //set atom coordinates
      |                     ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:162:13: note: ‘atom’ was declared here
  162 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o -MF CMakeFiles/PQSformat.dir/PQSformat.cpp.o.d -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp: In member function ‘OpenBabel::PQSFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:263:49: warning: ‘pFormat’ may be used uninitialized [-Wmaybe-uninitialized]
  263 |                     return pFormat->ReadMolecule(&mol,&coordconv);
      |                            ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:254:31: note: ‘pFormat’ was declared here
  254 |                     OBFormat* pFormat;
      |                               ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Linking CXX shared module ../../lib64/PQSformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/PQSformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Built target PQSformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/gamessukformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gamessukformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Built target gamessukformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dalchemyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -MF CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o.d -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 48%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o -MF CMakeFiles/acrformat.dir/acrformat.cpp.o.d -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp: In member function ‘OpenBabel::ACRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:166:12: warning: ‘atoms’ may be used uninitialized [-Wmaybe-uninitialized]
  166 |     } else if ( pmol->NumAtoms() != atoms ) {
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:18: note: ‘atoms’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                  ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:162:5: warning: ‘bonds’ may be used uninitialized [-Wmaybe-uninitialized]
  162 |     if ( pmol->NumBonds() != bonds ) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:25: note: ‘bonds’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 46%] Linking CXX shared module ../../lib64/orcaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/orcaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target orcaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/alchemyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/alchemyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target alchemyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/acrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target acrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbalstformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o -MF CMakeFiles/balstformat.dir/balstformat.cpp.o.d -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Damberformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o -MF CMakeFiles/amberformat.dir/amberformat.cpp.o.d -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/balstformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target balstformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/amberformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/amberformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target amberformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbgfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o -MF CMakeFiles/bgfformat.dir/bgfformat.cpp.o.d -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dboxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o -MF CMakeFiles/boxformat.dir/boxformat.cpp.o.d -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/bgfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bgfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target bgfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/boxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 51%] Built target boxformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacaoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -MF CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o.d -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacheformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o -MF CMakeFiles/cacheformat.dir/cacheformat.cpp.o.d -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cacaoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacaoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cacaoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cacheformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacheformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cacheformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/carformat.dir/carformat.cpp.o -MF CMakeFiles/carformat.dir/carformat.cpp.o.d -o CMakeFiles/carformat.dir/carformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 46%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -MF CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o.d -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:283:9: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  283 |         if (jflag)
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:287:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  287 |             nt = 1;
      |             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::setMCDL(std::string, OpenBabel::OBMol*, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1267:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1267 |     if (nPrev == acount) {
      |         ~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1385:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1385 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1386:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1386 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::lastIndexOf(std::string, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1399:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1399 |     if (n == string::npos)
      |         ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘OpenBabel::MCDLFormat::solve(int, int (*) [4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:390:24: warning: ‘numdups’ may be used uninitialized [-Wmaybe-uninitialized]
  390 |             for (j=0; j<numdups; j++)
      |                       ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:10: note: ‘numdups’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:28: warning: ‘jump’ may be used uninitialized [-Wmaybe-uninitialized]
  242 |     int  numdups, dupfrag, jump;
      |                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:398:17: warning: ‘dupfrag’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |                 if (ix[i] > dupfrag)
      |                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:19: note: ‘dupfrag’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |                   ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcccformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o -MF CMakeFiles/cccformat.dir/cccformat.cpp.o.d -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/carformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/carformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target carformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchem3dformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -MF CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o.d -o CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cccformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chem3dformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -MF CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o.d -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawct_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -MF CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o.d -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/chemtoolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemtoolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemtoolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/chemdrawct.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawct.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemdrawct
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o -MF CMakeFiles/crkformat.dir/crkformat.cpp.o.d -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/MCDLformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MCDLformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target MCDLformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcofformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o -MF CMakeFiles/cofformat.dir/cofformat.cpp.o.d -o CMakeFiles/cofformat.dir/cofformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:133:22: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  133 |         if(vs.size() < offset+9)
      |            ~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:180:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  180 |           for(int j=0 ; j< natoms ; j++)
      |                         ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:368:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  368 |       for( int j=0; j<elems.size(); j++)
      |                     ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:410:9: warning: unused variable ‘nbonds’ [-Wunused-variable]
  410 |     int nbonds = mol.NumBonds();
      |         ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/crkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/crkformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crkformat.so CMakeFiles/crkformat.dir/crkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target crkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcssrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o -MF CMakeFiles/cssrformat.dir/cssrformat.cpp.o.d -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/cssrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cssrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Built target cssrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cofformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cofformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cofformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cofformat.so CMakeFiles/cofformat.dir/cofformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Built target cofformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o -MF CMakeFiles/cifformat.dir/cifformat.cpp.o.d -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘void OpenBabel::CIFData::CalcMatrices()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:11: warning: variable ‘aa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:14: warning: variable ‘bb’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:27: warning: variable ‘betaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:33: warning: variable ‘gammaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                                 ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘virtual bool OpenBabel::CIFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:1693:15: warning: label ‘std’ defined but not used [-Wunused-label]
 1693 |               std:vector<int> uc;
      |               ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dexyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o -MF CMakeFiles/exyzformat.dir/exyzformat.cpp.o.d -o CMakeFiles/exyzformat.dir/exyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp: In member function ‘virtual bool OpenBabel::EXYZFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:124:19: warning: variable ‘virtualAtoms’ set but not used [-Wunused-but-set-variable]
  124 |     bool unitCell,virtualAtoms;
      |                   ^~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -MF CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o.d -o CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp: In member function ‘bool OpenBabel::DlpolyInputReader::ParseUnitCell(std::istream&, OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:152:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  152 |     bool ok;
      |          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -MF CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o.d -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp: In member function ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector<OpenBabel::OBMol>&, OpenBabel::OBMol, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:690:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  690 |     if(idx>=patternMol.NumBonds())
      |        ~~~^~~~~~~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/exyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/exyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dlpolyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 53%] Linking CXX shared module ../../lib64/fastsearchformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fastsearchformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target fastsearchformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o -MF CMakeFiles/fastaformat.dir/fastaformat.cpp.o.d -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp: In function ‘void OpenBabel::add_residue(OBMol*, OBResidue*, double, double, long unsigned int&, ResidueRecord*, int, OBAtom*&, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:394:33: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  394 |             else if (atom_count > resBondFromOffset)
      |                      ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfeatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/featformat.dir/featformat.cpp.o -MF CMakeFiles/featformat.dir/featformat.cpp.o.d -o CMakeFiles/featformat.dir/featformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o -MF CMakeFiles/fhformat.dir/fhformat.cpp.o.d -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/fastaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fastaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target fastaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/featformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/featformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target featformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cifformat.so CMakeFiles/cifformat.dir/cifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target cifformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/fhformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target fhformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfreefracformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o -MF CMakeFiles/freefracformat.dir/freefracformat.cpp.o.d -o CMakeFiles/freefracformat.dir/freefracformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfpsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o -MF CMakeFiles/fpsformat.dir/fpsformat.cpp.o.d -o CMakeFiles/fpsformat.dir/fpsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘virtual bool OpenBabel::FPSFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:152:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  152 |   for(unsigned i=0;i<(_nbits+31)/32;++i)
      |                    ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘std::string OpenBabel::FPSFormat::getTimeStr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:175:10: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  175 |   size_t time_res;                             /* Result of strftime                */
      |          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -MF CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o.d -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/freefracformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/freefracformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target freefracformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dghemicalformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -MF CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o.d -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/fpsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fpsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target fpsformat
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/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fingerprintformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target fingerprintformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Linking CXX shared module ../../lib64/ghemicalformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/ghemicalformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target ghemicalformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgromos96format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o -MF CMakeFiles/gromos96format.dir/gromos96format.cpp.o.d -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:54:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp: In member function ‘OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:144:20: warning: ‘strncpy’ specified bound 16 equals destination size [-Wstringop-truncation]
  144 |             strncpy(type_name,OBElements::GetSymbol(atom->GetAtomicNum()), 16);
      |                    ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/gromos96format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gromos96format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgroformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/groformat.dir/groformat.cpp.o -MF CMakeFiles/groformat.dir/groformat.cpp.o.d -o CMakeFiles/groformat.dir/groformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp: In member function ‘OpenBabel::GROFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:278:19: warning: ‘res’ may be used uninitialized [-Wmaybe-uninitialized]
  278 |       res->AddAtom(atom);
      |       ~~~~~~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:171:14: note: ‘res’ was declared here
  171 |   OBResidue* res;
      |              ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -MF CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o.d -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp: In member function ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:277:20: warning: unused variable ‘length’ [-Wunused-variable]
  277 |             double length=cmax-cmin;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:367:25: warning: unused variable ‘atomid’ [-Wunused-variable]
  367 |                     int atomid=5;
      |                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:368:28: warning: unused variable ‘charge’ [-Wunused-variable]
  368 |                     double charge=0.5;
      |                            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/groformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/groformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target groformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlpmdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -MF CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o.d -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:196:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  196 |   if(int(headers.size()-1)!=tokens.size())
      |      ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:210:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  210 |   for(int i=1 ; i < headers.size() ; ++i) //the first element is HDR
      |                 ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:11: warning: unused variable ‘FX’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:32: warning: unused variable ‘FY’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:53: warning: unused variable ‘FZ’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:366:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  366 |   for(int i=0; i < mol.NumAtoms() ; ++i)
      |                ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:382:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  382 |  for(int i=0;i<mol.NumAtoms();++i)
      |              ~^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/lmpdatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lmpdatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target lmpdatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdffformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o -MF CMakeFiles/mdffformat.dir/mdffformat.cpp.o.d -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:249:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::atm_t_prop>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  249 |             for(int i = 0; i < atom_t_prop.size(); i++)
      |                            ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:270:33: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  270 |       for(unsigned int j = 0; j < atom_t_prop[i].num_of_atoms; j++)
      |                               ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘bool OpenBabel::aindx::operator<(const OpenBabel::aindx&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:329:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  329 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:388:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  388 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:443:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  443 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:450:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  450 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:500:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  500 |       for(int j = 0; j < atypes_def.size(); j++)
      |                      ~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/lpmdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lpmdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Built target lpmdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmodformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o -MF CMakeFiles/mmodformat.dir/mmodformat.cpp.o.d -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/mmodformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmodformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Built target mmodformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdffformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmoldenformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o -MF CMakeFiles/moldenformat.dir/moldenformat.cpp.o.d -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -MF CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o.d -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o -MF CMakeFiles/mpdformat.dir/mpdformat.cpp.o.d -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp: In member function ‘virtual bool OpenBabel::MPDFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:210:42: warning: variable ‘idx_true’ set but not used [-Wunused-but-set-variable]
  210 |     bool xml_true=false, pre_true=false, idx_true=false;
      |                                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpqcformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -MF CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o.d -o CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/mpdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target mpdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/mpqcformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpqcformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target mpqcformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/moldenformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/moldenformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target moldenformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsmsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o -MF CMakeFiles/msmsformat.dir/msmsformat.cpp.o.d -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o -MF CMakeFiles/msiformat.dir/msiformat.cpp.o.d -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp: In member function ‘virtual bool OpenBabel::MSIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:77:17: warning: unused variable ‘title’ [-Wunused-variable]
   77 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:193:28: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  193 |             atom->SetVector(atof(vs[3].c_str()),
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
  194 |                             atof(vs[4].c_str()),
      |                             ~~~~~~~~~~~~~~~~~~~~
  195 |                             atof(vs[5].c_str()));
      |                             ~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:109:13: note: ‘atom’ was declared here
  109 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/msmsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/msmsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 61%] Built target msmsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmcifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/msiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dopendxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o -MF CMakeFiles/opendxformat.dir/opendxformat.cpp.o.d -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Doutformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/outformat.dir/outformat.cpp.o -MF CMakeFiles/outformat.dir/outformat.cpp.o.d -o CMakeFiles/outformat.dir/outformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/opendxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/opendxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target opendxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -MF CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o.d -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/outformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/outformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/outformat.so CMakeFiles/outformat.dir/outformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target outformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pcmodelformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pcmodelformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -MF CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o.d -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp: In member function ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:226:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  226 |     for( int j = 0; j < radius_mult_list.size(); j++ ) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pointcloudformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pointcloudformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pointcloudformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dposformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/posformat.dir/posformat.cpp.o -MF CMakeFiles/posformat.dir/posformat.cpp.o.d -o CMakeFiles/posformat.dir/posformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/posformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/posformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/posformat.so CMakeFiles/posformat.dir/posformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target posformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dshelxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o -MF CMakeFiles/shelxformat.dir/shelxformat.cpp.o.d -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpqrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o -MF CMakeFiles/pqrformat.dir/pqrformat.cpp.o.d -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomCharge(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:207:13: warning: unused variable ‘atom’ [-Wunused-variable]
  207 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomRadius(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:222:13: warning: unused variable ‘atom’ [-Wunused-variable]
  222 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  511 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:66: warning: ‘%-3s’ directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=]
  528 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                  ^~~~   ~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 17 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -MF CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o.d -o CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::OutputTree(OBConversion*, OBMol&, std::ostream&, std::map<unsigned int, branch>&, unsigned int, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:581:20: warning: unused variable ‘child’ [-Wunused-variable]
  581 |       unsigned int child=i;
      |                    ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::Separate_preserve_charges(OBMol&, std::vector<OBMol>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:797:9: warning: unused variable ‘fragments’ [-Wunused-variable]
  797 |     int fragments = 0;
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:750:16: warning: ‘unsigned int OpenBabel::AtomsSoFar(const std::map<unsigned int, branch>&, unsigned int)’ defined but not used [-Wunused-function]
  750 |   unsigned int AtomsSoFar(const map <unsigned int, branch> & tree, unsigned int depth)
      |                ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:52: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  345 |       snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:60: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  363 |           snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                            ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In member function ‘OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:923:22: warning: ‘strncpy’ specified bound 10 equals destination size [-Wstringop-truncation]
  923 |               strncpy(type_name, OBElements::GetSymbol(rotBondTable[rotBondId][bondAtomNum]->GetAtomicNum()), sizeof(type_name));
      |                      ^
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/shelxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/shelxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target shelxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pqrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pqrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pqrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dstlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o -MF CMakeFiles/stlformat.dir/stlformat.cpp.o.d -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp: In function ‘void OpenBabel::map_sphere(std::vector<Triangle>&, vector3, double, uint16_t)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:157:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::vector3>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  157 |     for( int i=0 ; i < points.size()-2; i++ ) {
      |                    ~~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pdbqtformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbqtformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pdbqtformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/stlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/stlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/stlformat.so CMakeFiles/stlformat.dir/stlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target stlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dthermoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o -MF CMakeFiles/thermoformat.dir/thermoformat.cpp.o.d -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmileyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o -MF CMakeFiles/smileyformat.dir/smileyformat.cpp.o.d -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp: In member function ‘void OpenBabel::OpenBabelCallback::setChiral(int, Smiley::Chirality, const std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘NotChiral’ not handled in switch [-Wswitch]
  158 |       switch (chirality) {
      |              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH21’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH22’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH23’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH24’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH25’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH26’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH27’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH28’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH29’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH30’ not handled in switch [-Wswitch]
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘void Smiley::Parser<Callback>::processStereochemistry() [with Callback = OpenBabel::OpenBabelCallback]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2707:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2707 |         processStereochemistry();
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2642:43: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2642 |           if (m_chiralInfo[i].nbrs.size() != expectedValence && m_exceptions & InvalidChiralValence)
      |               ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘Smiley::Parser<Callback>::RingBondInfo::RingBondInfo(int, int, bool, bool, bool, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2409:41:   required from ‘void Smiley::Parser<Callback>::processRingBond(int, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’
 2409 |           m_ringBonds[m_prev].push_back(RingBondInfo(rnum, m_bondOrder, m_isUp, m_isDown, m_explicitBond, pos));
      |                                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2429:11:   required from ‘void Smiley::Parser<Callback>::parseRingBond() [with Callback = OpenBabel::OpenBabelCallback]’
 2429 |           processRingBond(m_str[m_pos] - '0', m_pos);
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2507:13:   required from ‘void Smiley::Parser<Callback>::parseChain() [with Callback = OpenBabel::OpenBabelCallback]’
 2507 |             parseRingBond();
      |             ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2698:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2698 |         parseChain();
      |         ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:986:14: warning: ‘Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::isExplicit’ will be initialized after [-Wreorder]
  986 |         bool isExplicit;
      |              ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:981:21: warning:   ‘std::size_t Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::pos’ [-Wreorder]
  981 |         std::size_t pos;
      |                     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:974:9: warning:   when initialized here [-Wreorder]
  974 |         RingBondInfo(int number_, int order_, bool isUp_, bool isDown_,
      |         ^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/thermoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/thermoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target thermoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dunichemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o -MF CMakeFiles/unichemformat.dir/unichemformat.cpp.o.d -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtinkerformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -MF CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o.d -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp: In function ‘int OpenBabel::SetMM3Type(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:415:11: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  415 |           if (b->GetHyb() == 2) // S=C
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:416:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  416 |             countNeighborC++; break;
      |                               ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/unichemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/unichemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target unichemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/tinkerformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/tinkerformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target tinkerformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dviewmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -MF CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o.d -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Linking CXX shared module ../../lib64/smileyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smileyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target smileyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxedformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o -MF CMakeFiles/xedformat.dir/xedformat.cpp.o.d -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/viewmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/viewmolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target viewmolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o -MF CMakeFiles/wlnformat.dir/wlnformat.cpp.o.d -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp: In member function ‘virtual bool OpenBabel::WLNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:138:17: warning: unused variable ‘title’ [-Wunused-variable]
  138 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/xedformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xedformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xedformat.so CMakeFiles/xedformat.dir/xedformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target xedformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o -MF CMakeFiles/xyzformat.dir/xyzformat.cpp.o.d -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/xyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target xyzformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dyasaraformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -MF CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o.d -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mobatom* OpenBabel::mob_next(mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:45:33: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing]
   45 | #define mem_inc(POINTER,INC) (*((char**)&(POINTER))+=(INC))
      |                                ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:227:3: note: in expansion of macro ‘mem_inc’
  227 | { mem_inc(atom,mob_atomsize(atom));
      |   ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:374:21: warning: variable ‘reslen’ set but not used [-Wunused-but-set-variable]
  374 |   int /*samenames,*/reslen,charged;
      |                     ^~~~~~
In file included from /usr/include/string.h:548,
                 from /usr/include/c++/15/cstring:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:29:
In function ‘memcpy’,
    inlined from ‘OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:440:82:
/usr/include/bits/string_fortified.h:29:33: warning: ‘memcpy’ accessing 4 bytes at offsets 0 and 1 overlaps 3 bytes at offset 1 [-Wrestrict]
   29 |   return __builtin___memcpy_chk (__dest, __src, __len,
      |          ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
   30 |                                  __glibc_objsize0 (__dest));
      |                                  ~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:36: warning: ‘__snprintf_chk’ output truncated before the last format character [-Wformat-truncation=]
  572 |       snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
      |                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 12 bytes into a destination of size 4
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mob_getid(OpenBabel::atomid*, OpenBabel::mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:245:26: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  245 |   { inscodealtloc=int32le(atom->link[idpos++]);
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:253:60: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  253 |   if (flags&MOB_SEGMENTFLAG) id->segment=atom->link[idpos++];
      |                                          ~~~~~~~~~~~~~~~~~~^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drxnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o -MF CMakeFiles/rxnformat.dir/rxnformat.cpp.o.d -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp: In member function ‘virtual bool OpenBabel::RXNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:196:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  196 |       for (int i=0; i<num_components; i++)
      |                     ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/yasaraformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/yasaraformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Built target yasaraformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/rxnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rxnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Built target rxnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -MF CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o.d -o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wln-nextmove.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -MF CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o.d -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -MF CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o.d -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoReaction(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:338:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  338 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each reactant id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:352:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  352 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each product id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragment(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:449:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  449 |   for(int idx=1; idx<=pmol->NumAtoms();++idx)
      |                  ~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragmentImpl(OpenBabel::CDXReader&, OpenBabel::OBMol*, std::map<int, unsigned int>&, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:477:27: warning: variable ‘hasElement’ set but not used [-Wunused-but-set-variable]
  477 |       bool isAlias=false, hasElement=false;
      |                           ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:17: warning: ‘bgnIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:20: note: ‘bgnIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:28: warning: ‘endIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:28: note: ‘endIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                            ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 68%] Linking CXX shared module ../../lib64/wlnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/wlnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o "CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o"  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Built target wlnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rinchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rinchiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rinchiformat.so CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Built target rinchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemkinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -MF CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o.d -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::ReadReactionQualifierLines(std::istream&, OpenBabel::OBReaction*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:640:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  640 |       for(int i=0;i<toks.size()-1;++i)//also incremented in body to retrieve id,val pairs
      |                   ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::WriteReactionLine(OpenBabel::OBReaction*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  911 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘THREEBODY’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  990 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Linking CXX shared module ../../lib64/chemdrawcdx.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawcdx.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Built target chemdrawcdx
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drsmiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -MF CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o.d -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/png2format.cpp.o -MF CMakeFiles/png2format.dir/png2format.cpp.o.d -o CMakeFiles/png2format.dir/png2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp: In member function ‘virtual bool OpenBabel::PNG2Format::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:105:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  105 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:135:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  135 |       pConv->SetLast(n==_objects.size());
      |                      ~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -MF CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o.d -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/cairopainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/rsmiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rsmiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Built target rsmiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/png2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/png2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -MF CMakeFiles/pubchem.dir/xml/pubchem.cpp.o.d -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 72%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 73%] Linking CXX shared module ../../lib64/cdxmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cdxmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Built target cdxmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o -MF CMakeFiles/pubchem.dir/xml/xml.cpp.o.d -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Linking CXX shared module ../../lib64/xmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Built target xmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Linking CXX shared module ../../lib64/pubchem.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pubchem.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.cpp.o CMakeFiles/pubchem.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Built target pubchem
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘virtual bool OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:520:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  520 |   for(i=0;i<pReact->NumReactants();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:542:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  542 |   for(i=0;i<pReact->NumProducts();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘bool OpenBabel::CMLReactFormat::WriteRateData(OpenBabel::OBReaction*, xmlChar*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:706:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  706 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  734 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘void OpenBabel::CMLReactFormat::WriteMetadataList(OpenBabel::OBReaction&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:773:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
  773 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
In file included from /usr/include/c++/15/string:56,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:45:
In member function ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::_M_check(unsigned long, char const*) const’,
    inlined from ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::substr(unsigned long, unsigned long) const’ at /usr/include/c++/15/bits/basic_string.h:3238:52,
    inlined from ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:616:24:
/usr/include/c++/15/bits/basic_string.h:398:9: warning: ‘mollistPos’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |         if (__pos > this->size())
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:607:38: note: ‘mollistPos’ was declared here
  607 |       string::size_type reaclistPos, mollistPos, footerPos;
      |                                      ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -MF CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::DoHCounts()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:967:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  967 |           if(it->second == atom->GetIdx())
      |              ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘void OpenBabel::CMLFormat::WriteMetadataList(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1269:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
 1269 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘std::string OpenBabel::CMLFormat::getTimestr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1319:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
 1319 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘virtual bool OpenBabel::CMLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1366:26: warning: unused variable ‘C_DESCRIPTION’ [-Wunused-variable]
 1366 |     static const xmlChar C_DESCRIPTION[]      = "description";
      |                          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::WriteVibrationData(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:2308:26: warning: unused variable ‘C_SCALAR’ [-Wunused-variable]
 2308 |     static const xmlChar C_SCALAR[]       = "scalar";
      |                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Linking CXX shared module ../../lib64/cmlreactformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlreactformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target cmlreactformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -MF CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o.d -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp: In member function ‘virtual bool OpenBabel::ChemDoodleJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:115:30: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  115 |       if (inRoot["m"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obabel.dir/obabel.cpp.o -MF CMakeFiles/obabel.dir/obabel.cpp.o.d -o CMakeFiles/obabel.dir/obabel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Linking CXX executable ../bin/obabel
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obabel.dir/link.d CMakeFiles/obabel.dir/obabel.cpp.o -o ../bin/obabel  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Built target obabel
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obconformer.dir/obconformer.cpp.o -MF CMakeFiles/obconformer.dir/obconformer.cpp.o.d -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -MF CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o.d -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp: In member function ‘virtual bool OpenBabel::PubChemJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:121:41: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  121 |       if (inRoot["PC_Compounds"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:131:42: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  131 |       if (inRoot["PC_Substances"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Linking CXX shared module ../../lib64/cmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 76%] Built target cmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Linking CXX executable ../bin/obconformer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obconformer.dir/link.d CMakeFiles/obconformer.dir/obconformer.cpp.o -o ../bin/obconformer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 77%] Built target obconformer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdoodlejsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdoodlejsonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Built target chemdoodlejsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obenergy.dir/obenergy.cpp.o -MF CMakeFiles/obenergy.dir/obenergy.cpp.o.d -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Linking CXX executable ../bin/obenergy
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obenergy.dir/link.d CMakeFiles/obenergy.dir/obenergy.cpp.o -o ../bin/obenergy  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Built target obenergy
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfit.dir/obfit.cpp.o -MF CMakeFiles/obfit.dir/obfit.cpp.o.d -o CMakeFiles/obfit.dir/obfit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Linking CXX executable ../bin/obfit
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obfit.dir/link.d CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Built target obfit
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfitall.dir/obfitall.cpp.o -MF CMakeFiles/obfitall.dir/obfitall.cpp.o.d -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:219:18: warning: unused variable ‘best_rmsd’ [-Wunused-variable]
  219 |           double best_rmsd = 999.999;
      |                  ^~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Linking CXX shared module ../../lib64/pubchemjsonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pubchemjsonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Built target pubchemjsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgen.dir/obgen.cpp.o -MF CMakeFiles/obgen.dir/obgen.cpp.o.d -o CMakeFiles/obgen.dir/obgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:30:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obminimize.dir/obminimize.cpp.o -MF CMakeFiles/obminimize.dir/obminimize.cpp.o.d -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/DependInfo.cmake "--color="
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[ 78%] Linking CXX executable ../bin/obfitall
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfitall.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obfitall.dir/link.d CMakeFiles/obfitall.dir/obfitall.cpp.o -o ../bin/obfitall  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgen.dir/link.d CMakeFiles/obgen.dir/obgen.cpp.o -o ../bin/obgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obminimize.dir/link.d CMakeFiles/obminimize.dir/obminimize.cpp.o -o ../bin/obminimize  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 79%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obmm.dir/obmm.cpp.o -MF CMakeFiles/obmm.dir/obmm.cpp.o.d -o CMakeFiles/obmm.dir/obmm.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:58:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:54:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 79%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprobe.dir/obprobe.cpp.o -MF CMakeFiles/obprobe.dir/obprobe.cpp.o.d -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Linking CXX executable ../bin/obmm
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obmm.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obmm.dir/link.d CMakeFiles/obmm.dir/obmm.cpp.o -o ../bin/obmm  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 80%] Built target obmm
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/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprop.dir/obprop.cpp.o -MF CMakeFiles/obprop.dir/obprop.cpp.o.d -o CMakeFiles/obprop.dir/obprop.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 79%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o -MF CMakeFiles/obrotamer.dir/obrotamer.cpp.o.d -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Linking CXX executable ../bin/obprobe
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obprobe.dir/link.d CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 81%] Built target obprobe
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/DependInfo.cmake "--color="
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[ 80%] Linking CXX executable ../bin/obprop
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obprop.dir/link.d CMakeFiles/obprop.dir/obprop.cpp.o -o ../bin/obprop  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 82%] Built target obprop
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/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrotamer.dir/link.d CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 82%] Built target obrotamer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obsym.dir/obsym.cpp.o -MF CMakeFiles/obsym.dir/obsym.cpp.o.d -o CMakeFiles/obsym.dir/obsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotate.dir/obrotate.cpp.o -MF CMakeFiles/obrotate.dir/obrotate.cpp.o.d -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:38:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp: In function ‘main’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a2’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:16: note: ‘a2’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a3’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:21: note: ‘a3’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a1’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:11: note: ‘a1’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a4’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:26: note: ‘a4’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obsym
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obsym.dir/link.d CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Built target obsym
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obrotate
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrotate.dir/link.d CMakeFiles/obrotate.dir/obrotate.cpp.o -o ../bin/obrotate  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Built target obrotate
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obthermo.dir/obthermo.cpp.o -MF CMakeFiles/obthermo.dir/obthermo.cpp.o.d -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:159:18: warning: unused variable ‘Rgas’ [-Wunused-variable]
  159 |           double Rgas  = 1.9872041; // cal/mol K
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:42:10: warning: variable ‘bKJ’ set but not used [-Wunused-but-set-variable]
   42 |   bool   bKJ   = false;
      |          ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o -MF CMakeFiles/obtautomer.dir/obtautomer.cpp.o.d -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obthermo
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obthermo.dir/link.d CMakeFiles/obthermo.dir/obthermo.cpp.o -o ../bin/obthermo  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Built target obthermo
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obtautomer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obtautomer.dir/link.d CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Built target obtautomer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgrep.dir/obgrep.cpp.o -MF CMakeFiles/obgrep.dir/obgrep.cpp.o.d -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obgrep
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgrep.dir/link.d CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Built target obgrep
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o -MF CMakeFiles/obdistgen.dir/obdistgen.cpp.o.d -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:108:34: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  108 |       for (unsigned int n = 0; n < mol.NumConformers();++n)
      |                                ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Linking CXX executable ../bin/obdistgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obdistgen.dir/link.d CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Built target obdistgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/test_runner.cpp.o -MF CMakeFiles/test_runner.dir/test_runner.cpp.o.d -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/test_runner.cpp
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrms.dir/obrms.cpp.o -MF CMakeFiles/obrms.dir/obrms.cpp.o.d -o CMakeFiles/obrms.dir/obrms.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:31:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:219:14: warning: unused variable ‘help’ [-Wunused-variable]
  219 |         bool help = false;
      |              ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -MF CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o.d -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:10:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Linking CXX executable ../bin/obrms
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrms.dir/link.d CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Built target obrms
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Linking CXX executable ../bin/obspectrophore
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obspectrophore.dir/link.d CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Built target obspectrophore
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aliastest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aliastest.cpp.o -MF CMakeFiles/test_runner.dir/aliastest.cpp.o.d -o CMakeFiles/test_runner.dir/aliastest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp: In member function ‘void AliasTestExample::test()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:52:18: warning: unused variable ‘ad’ [-Wunused-variable]
   52 |       AliasData* ad = nullptr;
      |                  ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/automorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp: In function ‘bool doAutomorphismTest(OpenBabel::OBMol&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:15:20: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<std::pair<unsigned int, unsigned int> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   15 |   return (G.size() == numAutomorphisms);
      |           ~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aligntest.cpp.o -MF CMakeFiles/test_runner.dir/aligntest.cpp.o.d -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/buildertest.cpp.o -MF CMakeFiles/test_runner.dir/buildertest.cpp.o.d -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:15:21: warning: ‘failed’ defined but not used [-Wunused-variable]
   15 | static unsigned int failed = 0;
      |                     ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o -MF CMakeFiles/obgui.dir/stdwx.cpp.o.d -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -MF CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -MF CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Linking CXX executable ../bin/test_inchiwrite
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/test_inchiwrite.dir/link.d CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -o ../bin/test_inchiwrite  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Built target test_inchiwrite
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o -MF CMakeFiles/obgui.dir/optswx.cpp.o.d -o CMakeFiles/obgui.dir/optswx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./optswx.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp: In member function ‘bool DynOptionswx::Construct(const char*, const char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:130:17: warning: comparing the result of pointer addition ‘(p + -1)’ and NULL [-Waddress]
  130 |     while(p && p-1 && *p && *p!='\n') //loop for all options until blank line
      |                ~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:223:16: warning: suggest parentheses around assignment used as truth value [-Wparentheses]
  223 |         if(pdef=strcasestr(pCaption,"default"))
      |            ~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:226:17: warning: unused variable ‘tok’ [-Wunused-variable]
  226 |           char* tok=strtok(pdef," :-\t</\"\'");
      |                 ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:293:60: warning: statement has no effect [-Wunused-value]
  293 |           strcasecmp(pdef,"no") && !strcasecmp(pdef,"not") && strcasecmp(pdef,"none");
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o -MF CMakeFiles/obgui.dir/OBGUI.cpp.o.d -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h: In member function ‘bool ActiveFormats::Add(wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h:82:66: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   82 |                 return (ActiveFormatsString.find(format+_T(';')) != -1);
      |                         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘virtual bool OBGUIApp::OnInit()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:129:21: warning: unused variable ‘splash’ [-Wunused-variable]
  129 |     wxSplashScreen* splash = new wxSplashScreen(bitmap,
      |                     ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::OnConvert(wxCommandEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:589:9: warning: ignoring return value of ‘std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::__string_type std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::str() const [with _CharT = char; _Traits = std::char_traits<char>; _Alloc = std::allocator<char>; __string_type = std::__cxx11::basic_string<char>]’, declared with attribute ‘nodiscard’ [-Wunused-result]
  589 |   ss.str();
      |   ~~~~~~^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:28:
/usr/include/c++/15/sstream:713:7: note: declared here
  713 |       str() const _GLIBCXX_LVAL_REF_QUAL
      |       ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::DisplayInputFiles(wxArrayString)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:766:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  766 |   for(i=0;i<filepatharray.GetCount();++i)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘bool OBGUIFrame::SetChoice(wxChoice*, const wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:890:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  890 |   for(int iSel=0;iSel<pChoice->GetCount();iSel++)
      |                  ~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘wxString OBGUIFrame::ShortenedPath(const wxString&, const wxWindow&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:934:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  934 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:936:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  936 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:943:12: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  943 |     if(pos2==wxNOT_FOUND || pos2+1 == tpath.length()) return path;
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:946:46: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  946 |     if(tpath.find_first_of(_T("/\\"), pos2+1)==wxNOT_FOUND) return path;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::GetAvailableFormats()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1000:13: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const size_t’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1000 |       if(pos!=wxString::npos)
      |          ~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1005:11: warning: variable ‘n’ set but not used [-Wunused-but-set-variable]
 1005 |       int n;
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::MakePluginsMenu()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1101:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1101 |   for(int itop=0; itop < topvec.size(); ++itop)
      |                   ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1109:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1109 |     for(int isub=0; isub < subvec.size(); ++isub)
      |                     ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void CFilenames::OnKeyPress(wxKeyEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1187:50: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1187 |       if(nameWithWildcard.find_first_of(_T("*?"))==wxNOT_FOUND)
      |                                                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1203:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1203 |         for(i=0;i<filelist.size();++i)
      |                 ~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o -MF CMakeFiles/test_runner.dir/canonstabletest.cpp.o.d -o CMakeFiles/test_runner.dir/canonstabletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o -MF CMakeFiles/roundtrip.dir/roundtrip.cpp.o.d -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Linking CXX executable ../bin/roundtrip
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/roundtrip.dir/link.d CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Built target roundtrip
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cistranstest.cpp.o -MF CMakeFiles/test_runner.dir/cistranstest.cpp.o.d -o CMakeFiles/test_runner.dir/cistranstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:146:3: warning: multi-line comment [-Wcomment]
  146 |   //  / \      |   |      /         / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/conversiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversiontest.cpp.o -MF CMakeFiles/test_runner.dir/conversiontest.cpp.o.d -o CMakeFiles/test_runner.dir/conversiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/gziptest.cpp.o -MF CMakeFiles/test_runner.dir/gziptest.cpp.o.d -o CMakeFiles/test_runner.dir/gziptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o -MF CMakeFiles/test_runner.dir/graphsymtest.cpp.o.d -o CMakeFiles/test_runner.dir/graphsymtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp: In function ‘void countGraphSymClassesTest(const std::string&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:110:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  110 |   OB_ASSERT( n == numberOfClasses);
      |              ~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:27:6: note: in definition of macro ‘OB_ASSERT’
   27 |   ( (exp) ? static_cast<void>(0) : report_error(#exp, __FILE__, __LINE__, FUNCTION_SIGNATURE, false) )
      |      ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:111:9: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  111 |   if (n != numberOfClasses) {
      |       ~~^~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o -MF CMakeFiles/test_runner.dir/implicitHtest.cpp.o.d -o CMakeFiles/test_runner.dir/implicitHtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/addhtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/addhtest.cpp.o -MF CMakeFiles/test_runner.dir/addhtest.cpp.o.d -o CMakeFiles/test_runner.dir/addhtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/lssrtest.cpp.o -MF CMakeFiles/test_runner.dir/lssrtest.cpp.o.d -o CMakeFiles/test_runner.dir/lssrtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp: In function ‘bool verifyLSSR(const std::string&, const LSSR&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:173:8: warning: unused variable ‘fail’ [-Wunused-variable]
  173 |   bool fail = false;
      |        ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 89%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp, /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel.py
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/swig -python -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp -DHAVE_EIGEN -DHAVE_EIGEN3 -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-python.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored).
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored).
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/isomorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:114:3: warning: multi-line comment [-Wcomment]
  114 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:165:3: warning: multi-line comment [-Wcomment]
  165 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:187:3: warning: multi-line comment [-Wcomment]
  187 |   //     /\ /\ /\
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/multicmltest.cpp.o -MF CMakeFiles/test_runner.dir/multicmltest.cpp.o.d -o CMakeFiles/test_runner.dir/multicmltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/periodictest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/periodictest.cpp.o -MF CMakeFiles/test_runner.dir/periodictest.cpp.o.d -o CMakeFiles/test_runner.dir/periodictest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:91:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Linking CXX executable ../../bin/obgui
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgui.dir/link.d CMakeFiles/obgui.dir/OBGUI.cpp.o CMakeFiles/obgui.dir/stdwx.cpp.o CMakeFiles/obgui.dir/optswx.cpp.o -o ../../bin/obgui  ../../lib64/libopenbabel.so.7.0.0 -pthread -lwx_baseu-3.2 -lwx_gtk3u_core-3.2 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Built target obgui
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/regressionstest.cpp.o -MF CMakeFiles/test_runner.dir/regressionstest.cpp.o.d -o CMakeFiles/test_runner.dir/regressionstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp: In function ‘void test_ChemDraw_Basic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:70:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
   70 |   for (int i=0; i<size; ++i) {
      |                 ~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:242:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/rotortest.cpp.o -MF CMakeFiles/test_runner.dir/rotortest.cpp.o.d -o CMakeFiles/test_runner.dir/rotortest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-perl.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/shuffletest.cpp.o -MF CMakeFiles/test_runner.dir/shuffletest.cpp.o.d -o CMakeFiles/test_runner.dir/shuffletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilestest.cpp.o -MF CMakeFiles/test_runner.dir/smilestest.cpp.o.d -o CMakeFiles/test_runner.dir/smilestest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp: In function ‘void genericSmilesCanonicalTest(const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:246:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  246 |       if (tetrahedral1[i].center == tetrahedral2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:248:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  248 |         if ( tetrahedral1[i] != tetrahedral2[j] ) {
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  268 |       if (squareplanar1[i].center == squareplanar2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:270:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  270 |         if ( squareplanar1[i] != squareplanar2[j] ) {
      |         ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/swig -ruby -c++ -small -O -templatereduce -naturalvar -autorename -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-ruby.i
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && sed -e 's/rb_define_module("Openbabel")/rb_define_module("OpenBabel")/' -e's/void Init_OpenBabel/void Init_openbabel/' </builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt >/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E remove /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -MF CMakeFiles/test_runner.dir/spectrophoretest.cpp.o.d -o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:3:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o -MF CMakeFiles/test_runner.dir/squareplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/squareplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:56:3: warning: multi-line comment [-Wcomment]
   56 |   //  / \      |   |     |/  |      / \
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:99:3: warning: multi-line comment [-Wcomment]
   99 |   //  / \      |   |     |/  |      / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereotest.cpp.o -MF CMakeFiles/test_runner.dir/stereotest.cpp.o.d -o CMakeFiles/test_runner.dir/stereotest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  102 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception2(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  132 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -MF CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o.d -o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:255:5: warning: multi-line comment [-Wcomment]
  255 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:270:5: warning: multi-line comment [-Wcomment]
  270 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:285:5: warning: multi-line comment [-Wcomment]
  285 |     //         \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:287:5: warning: multi-line comment [-Wcomment]
  287 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:310:5: warning: multi-line comment [-Wcomment]
  310 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:329:5: warning: multi-line comment [-Wcomment]
  329 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:339:5: warning: multi-line comment [-Wcomment]
  339 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:349:5: warning: multi-line comment [-Wcomment]
  349 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:366:5: warning: multi-line comment [-Wcomment]
  366 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:377:5: warning: multi-line comment [-Wcomment]
  377 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:390:5: warning: multi-line comment [-Wcomment]
  390 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:401:5: warning: multi-line comment [-Wcomment]
  401 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:432:5: warning: multi-line comment [-Wcomment]
  432 |     //   \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:434:5: warning: multi-line comment [-Wcomment]
  434 |     //        \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tautomertest.cpp.o -MF CMakeFiles/test_runner.dir/tautomertest.cpp.o.d -o CMakeFiles/test_runner.dir/tautomertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -MF CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o.d -o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:22:1: warning: multi-line comment [-Wcomment]
   22 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetraplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:11:1: warning: multi-line comment [-Wcomment]
   11 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -MF CMakeFiles/test_runner.dir/uniqueidtest.cpp.o.d -o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aromatest.cpp.o -MF CMakeFiles/test_runner.dir/aromatest.cpp.o.d -o CMakeFiles/test_runner.dir/aromatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/atom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/atom.cpp.o -MF CMakeFiles/test_runner.dir/atom.cpp.o.d -o CMakeFiles/test_runner.dir/atom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/bond.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/bond.cpp.o -MF CMakeFiles/test_runner.dir/bond.cpp.o.d -o CMakeFiles/test_runner.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cansmi.cpp.o -MF CMakeFiles/test_runner.dir/cansmi.cpp.o.d -o CMakeFiles/test_runner.dir/cansmi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -MF CMakeFiles/test_runner.dir/charge_mmff94.cpp.o.d -o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -MF CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o.d -o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversion.cpp.o -MF CMakeFiles/test_runner.dir/conversion.cpp.o.d -o CMakeFiles/test_runner.dir/conversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/datatest.cpp.o -MF CMakeFiles/test_runner.dir/datatest.cpp.o.d -o CMakeFiles/test_runner.dir/datatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/datatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffgaff.cpp.o -MF CMakeFiles/test_runner.dir/ffgaff.cpp.o.d -o CMakeFiles/test_runner.dir/ffgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffghemical.cpp.o -MF CMakeFiles/test_runner.dir/ffghemical.cpp.o.d -o CMakeFiles/test_runner.dir/ffghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o -MF CMakeFiles/test_runner.dir/ffmmff94.cpp.o.d -o CMakeFiles/test_runner.dir/ffmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffuff.cpp.o -MF CMakeFiles/test_runner.dir/ffuff.cpp.o.d -o CMakeFiles/test_runner.dir/ffuff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formalcharge.cpp.o -MF CMakeFiles/test_runner.dir/formalcharge.cpp.o.d -o CMakeFiles/test_runner.dir/formalcharge.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/format.cpp.o -MF CMakeFiles/test_runner.dir/format.cpp.o.d -o CMakeFiles/test_runner.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formula.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formula.cpp.o -MF CMakeFiles/test_runner.dir/formula.cpp.o.d -o CMakeFiles/test_runner.dir/formula.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/internalcoord.cpp.o -MF CMakeFiles/test_runner.dir/internalcoord.cpp.o.d -o CMakeFiles/test_runner.dir/internalcoord.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmarts.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmarts.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmiles.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/iterators.cpp.o -MF CMakeFiles/test_runner.dir/iterators.cpp.o.d -o CMakeFiles/test_runner.dir/iterators.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/logp_psa.cpp.o -MF CMakeFiles/test_runner.dir/logp_psa.cpp.o.d -o CMakeFiles/test_runner.dir/logp_psa.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/math.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/math.cpp.o -MF CMakeFiles/test_runner.dir/math.cpp.o.d -o CMakeFiles/test_runner.dir/math.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/mol.cpp.o -MF CMakeFiles/test_runner.dir/mol.cpp.o.d -o CMakeFiles/test_runner.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -MF CMakeFiles/test_runner.dir/pdbreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/phmodel.cpp.o -MF CMakeFiles/test_runner.dir/phmodel.cpp.o.d -o CMakeFiles/test_runner.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/residue.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/residue.cpp.o -MF CMakeFiles/test_runner.dir/residue.cpp.o.d -o CMakeFiles/test_runner.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ringtest.cpp.o -MF CMakeFiles/test_runner.dir/ringtest.cpp.o.d -o CMakeFiles/test_runner.dir/ringtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartstest.cpp.o -MF CMakeFiles/test_runner.dir/smartstest.cpp.o.d -o CMakeFiles/test_runner.dir/smartstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartsparse.cpp.o -MF CMakeFiles/test_runner.dir/smartsparse.cpp.o.d -o CMakeFiles/test_runner.dir/smartsparse.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartsparse.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o -MF CMakeFiles/test_runner.dir/smilesmatch.cpp.o.d -o CMakeFiles/test_runner.dir/smilesmatch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/unitcell.cpp.o -MF CMakeFiles/test_runner.dir/unitcell.cpp.o.d -o CMakeFiles/test_runner.dir/unitcell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/unitcell.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -MF CMakeFiles/test_runner.dir/cmlreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/obtest.cpp.o -MF CMakeFiles/test_runner.dir/obtest.cpp.o.d -o CMakeFiles/test_runner.dir/obtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_python_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -MF CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o.d -o CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp
In file included from /usr/include/python3.13/pyconfig.h:6,
                 from /usr/include/python3.13/Python.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:207:
/usr/include/python3.13/pyconfig-64.h:1940:9: warning: ‘_LARGEFILE_SOURCE’ redefined
 1940 | #define _LARGEFILE_SOURCE 1
      |         ^~~~~~~~~~~~~~~~~
<command-line>: note: this is the location of the previous definition
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3643:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3644:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3651:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3658:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3559:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_SwigPyIterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_incr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:64: note: in expansion of macro ‘SWIG_fail’
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:64: note: in expansion of macro ‘SWIG_fail’
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_decr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:64: note: in expansion of macro ‘SWIG_fail’
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:64: note: in expansion of macro ‘SWIG_fail’
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:64: note: in expansion of macro ‘SWIG_fail’
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:64: note: in expansion of macro ‘SWIG_fail’
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:64: note: in expansion of macro ‘SWIG_fail’
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:64: note: in expansion of macro ‘SWIG_fail’
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:64: note: in expansion of macro ‘SWIG_fail’
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:64: note: in expansion of macro ‘SWIG_fail’
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:64: note: in expansion of macro ‘SWIG_fail’
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt_clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:64: note: in expansion of macro ‘SWIG_fail’
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:64: note: in expansion of macro ‘SWIG_fail’
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:64: note: in expansion of macro ‘SWIG_fail’
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:64: note: in expansion of macro ‘SWIG_fail’
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:64: note: in expansion of macro ‘SWIG_fail’
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:64: note: in expansion of macro ‘SWIG_fail’
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:64: note: in expansion of macro ‘SWIG_fail’
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:64: note: in expansion of macro ‘SWIG_fail’
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:64: note: in expansion of macro ‘SWIG_fail’
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:64: note: in expansion of macro ‘SWIG_fail’
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:64: note: in expansion of macro ‘SWIG_fail’
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:64: note: in expansion of macro ‘SWIG_fail’
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:64: note: in expansion of macro ‘SWIG_fail’
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:64: note: in expansion of macro ‘SWIG_fail’
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:64: note: in expansion of macro ‘SWIG_fail’
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:64: note: in expansion of macro ‘SWIG_fail’
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:64: note: in expansion of macro ‘SWIG_fail’
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:64: note: in expansion of macro ‘SWIG_fail’
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:64: note: in expansion of macro ‘SWIG_fail’
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:64: note: in expansion of macro ‘SWIG_fail’
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:64: note: in expansion of macro ‘SWIG_fail’
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:64: note: in expansion of macro ‘SWIG_fail’
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:64: note: in expansion of macro ‘SWIG_fail’
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:64: note: in expansion of macro ‘SWIG_fail’
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:64: note: in expansion of macro ‘SWIG_fail’
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:64: note: in expansion of macro ‘SWIG_fail’
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:64: note: in expansion of macro ‘SWIG_fail’
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:64: note: in expansion of macro ‘SWIG_fail’
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:64: note: in expansion of macro ‘SWIG_fail’
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:64: note: in expansion of macro ‘SWIG_fail’
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:64: note: in expansion of macro ‘SWIG_fail’
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:64: note: in expansion of macro ‘SWIG_fail’
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:64: note: in expansion of macro ‘SWIG_fail’
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:64: note: in expansion of macro ‘SWIG_fail’
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:64: note: in expansion of macro ‘SWIG_fail’
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:64: note: in expansion of macro ‘SWIG_fail’
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:64: note: in expansion of macro ‘SWIG_fail’
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:64: note: in expansion of macro ‘SWIG_fail’
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:64: note: in expansion of macro ‘SWIG_fail’
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:64: note: in expansion of macro ‘SWIG_fail’
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:64: note: in expansion of macro ‘SWIG_fail’
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:64: note: in expansion of macro ‘SWIG_fail’
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:64: note: in expansion of macro ‘SWIG_fail’
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:64: note: in expansion of macro ‘SWIG_fail’
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:64: note: in expansion of macro ‘SWIG_fail’
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:64: note: in expansion of macro ‘SWIG_fail’
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:64: note: in expansion of macro ‘SWIG_fail’
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:64: note: in expansion of macro ‘SWIG_fail’
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:64: note: in expansion of macro ‘SWIG_fail’
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:64: note: in expansion of macro ‘SWIG_fail’
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:64: note: in expansion of macro ‘SWIG_fail’
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:64: note: in expansion of macro ‘SWIG_fail’
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:64: note: in expansion of macro ‘SWIG_fail’
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:64: note: in expansion of macro ‘SWIG_fail’
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:64: note: in expansion of macro ‘SWIG_fail’
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:64: note: in expansion of macro ‘SWIG_fail’
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:64: note: in expansion of macro ‘SWIG_fail’
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:64: note: in expansion of macro ‘SWIG_fail’
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:64: note: in expansion of macro ‘SWIG_fail’
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:64: note: in expansion of macro ‘SWIG_fail’
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:64: note: in expansion of macro ‘SWIG_fail’
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:64: note: in expansion of macro ‘SWIG_fail’
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:64: note: in expansion of macro ‘SWIG_fail’
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:64: note: in expansion of macro ‘SWIG_fail’
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:64: note: in expansion of macro ‘SWIG_fail’
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:64: note: in expansion of macro ‘SWIG_fail’
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:64: note: in expansion of macro ‘SWIG_fail’
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:64: note: in expansion of macro ‘SWIG_fail’
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:64: note: in expansion of macro ‘SWIG_fail’
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:64: note: in expansion of macro ‘SWIG_fail’
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:64: note: in expansion of macro ‘SWIG_fail’
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:64: note: in expansion of macro ‘SWIG_fail’
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:64: note: in expansion of macro ‘SWIG_fail’
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:64: note: in expansion of macro ‘SWIG_fail’
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:64: note: in expansion of macro ‘SWIG_fail’
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:64: note: in expansion of macro ‘SWIG_fail’
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:64: note: in expansion of macro ‘SWIG_fail’
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:64: note: in expansion of macro ‘SWIG_fail’
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:64: note: in expansion of macro ‘SWIG_fail’
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:64: note: in expansion of macro ‘SWIG_fail’
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:64: note: in expansion of macro ‘SWIG_fail’
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:64: note: in expansion of macro ‘SWIG_fail’
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:64: note: in expansion of macro ‘SWIG_fail’
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:64: note: in expansion of macro ‘SWIG_fail’
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:64: note: in expansion of macro ‘SWIG_fail’
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:64: note: in expansion of macro ‘SWIG_fail’
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:64: note: in expansion of macro ‘SWIG_fail’
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:64: note: in expansion of macro ‘SWIG_fail’
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:64: note: in expansion of macro ‘SWIG_fail’
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:64: note: in expansion of macro ‘SWIG_fail’
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:64: note: in expansion of macro ‘SWIG_fail’
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:64: note: in expansion of macro ‘SWIG_fail’
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:64: note: in expansion of macro ‘SWIG_fail’
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:64: note: in expansion of macro ‘SWIG_fail’
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:64: note: in expansion of macro ‘SWIG_fail’
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:64: note: in expansion of macro ‘SWIG_fail’
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:64: note: in expansion of macro ‘SWIG_fail’
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:64: note: in expansion of macro ‘SWIG_fail’
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:64: note: in expansion of macro ‘SWIG_fail’
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:64: note: in expansion of macro ‘SWIG_fail’
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:64: note: in expansion of macro ‘SWIG_fail’
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:64: note: in expansion of macro ‘SWIG_fail’
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:64: note: in expansion of macro ‘SWIG_fail’
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:64: note: in expansion of macro ‘SWIG_fail’
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:64: note: in expansion of macro ‘SWIG_fail’
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:64: note: in expansion of macro ‘SWIG_fail’
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:64: note: in expansion of macro ‘SWIG_fail’
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:64: note: in expansion of macro ‘SWIG_fail’
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:64: note: in expansion of macro ‘SWIG_fail’
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:64: note: in expansion of macro ‘SWIG_fail’
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:64: note: in expansion of macro ‘SWIG_fail’
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:64: note: in expansion of macro ‘SWIG_fail’
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:64: note: in expansion of macro ‘SWIG_fail’
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:64: note: in expansion of macro ‘SWIG_fail’
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:64: note: in expansion of macro ‘SWIG_fail’
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:64: note: in expansion of macro ‘SWIG_fail’
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:64: note: in expansion of macro ‘SWIG_fail’
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:64: note: in expansion of macro ‘SWIG_fail’
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:64: note: in expansion of macro ‘SWIG_fail’
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:64: note: in expansion of macro ‘SWIG_fail’
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:64: note: in expansion of macro ‘SWIG_fail’
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:64: note: in expansion of macro ‘SWIG_fail’
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:64: note: in expansion of macro ‘SWIG_fail’
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:64: note: in expansion of macro ‘SWIG_fail’
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:64: note: in expansion of macro ‘SWIG_fail’
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:64: note: in expansion of macro ‘SWIG_fail’
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:64: note: in expansion of macro ‘SWIG_fail’
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:64: note: in expansion of macro ‘SWIG_fail’
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:64: note: in expansion of macro ‘SWIG_fail’
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:64: note: in expansion of macro ‘SWIG_fail’
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:64: note: in expansion of macro ‘SWIG_fail’
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:64: note: in expansion of macro ‘SWIG_fail’
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:64: note: in expansion of macro ‘SWIG_fail’
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:64: note: in expansion of macro ‘SWIG_fail’
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:64: note: in expansion of macro ‘SWIG_fail’
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:64: note: in expansion of macro ‘SWIG_fail’
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:64: note: in expansion of macro ‘SWIG_fail’
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:64: note: in expansion of macro ‘SWIG_fail’
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:64: note: in expansion of macro ‘SWIG_fail’
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:64: note: in expansion of macro ‘SWIG_fail’
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:64: note: in expansion of macro ‘SWIG_fail’
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:64: note: in expansion of macro ‘SWIG_fail’
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:64: note: in expansion of macro ‘SWIG_fail’
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:64: note: in expansion of macro ‘SWIG_fail’
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:64: note: in expansion of macro ‘SWIG_fail’
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_append(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rbegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rend(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_erase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:64: note: in expansion of macro ‘SWIG_fail’
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:64: note: in expansion of macro ‘SWIG_fail’
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:64: note: in expansion of macro ‘SWIG_fail’
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:64: note: in expansion of macro ‘SWIG_fail’
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:64: note: in expansion of macro ‘SWIG_fail’
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_push_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_front(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_assign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:64: note: in expansion of macro ‘SWIG_fail’
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:64: note: in expansion of macro ‘SWIG_fail’
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:64: note: in expansion of macro ‘SWIG_fail’
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:64: note: in expansion of macro ‘SWIG_fail’
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetReadDirectory(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetEnvironmentVariable(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_ParseLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:83: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                                                                   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetFromType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetToType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:64: note: in expansion of macro ‘SWIG_fail’
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:64: note: in expansion of macro ‘SWIG_fail’
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_SetResName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:64: note: in expansion of macro ‘SWIG_fail’
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:64: note: in expansion of macro ‘SWIG_fail’
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:64: note: in expansion of macro ‘SWIG_fail’
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:64: note: in expansion of macro ‘SWIG_fail’
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:64: note: in expansion of macro ‘SWIG_fail’
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:64: note: in expansion of macro ‘SWIG_fail’
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_end(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:64: note: in expansion of macro ‘SWIG_fail’
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:64: note: in expansion of macro ‘SWIG_fail’
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___iadd__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:64: note: in expansion of macro ‘SWIG_fail’
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___isub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:64: note: in expansion of macro ‘SWIG_fail’
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___imul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:64: note: in expansion of macro ‘SWIG_fail’
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_randomUnitVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:64: note: in expansion of macro ‘SWIG_fail’
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:64: note: in expansion of macro ‘SWIG_fail’
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:64: note: in expansion of macro ‘SWIG_fail’
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2Plane(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:81: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2PlaneAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                      ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:64: note: in expansion of macro ‘SWIG_fail’
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_matrix3x3___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:64: note: in expansion of macro ‘SWIG_fail’
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:64: note: in expansion of macro ‘SWIG_fail’
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:64: note: in expansion of macro ‘SWIG_fail’
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:64: note: in expansion of macro ‘SWIG_fail’
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:64: note: in expansion of macro ‘SWIG_fail’
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:64: note: in expansion of macro ‘SWIG_fail’
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:64: note: in expansion of macro ‘SWIG_fail’
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_transform3d___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:64: note: in expansion of macro ‘SWIG_fail’
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHMName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHallName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_AddTransform(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:64: note: in expansion of macro ‘SWIG_fail’
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:64: note: in expansion of macro ‘SWIG_fail’
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FirstBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:64: note: in expansion of macro ‘SWIG_fail’
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:64: note: in expansion of macro ‘SWIG_fail’
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromVecInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Negate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec___ior__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:64: note: in expansion of macro ‘SWIG_fail’
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:64: note: in expansion of macro ‘SWIG_fail’
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:64: note: in expansion of macro ‘SWIG_fail’
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:64: note: in expansion of macro ‘SWIG_fail’
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:64: note: in expansion of macro ‘SWIG_fail’
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:64: note: in expansion of macro ‘SWIG_fail’
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGenericData_SetAttribute(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:64: note: in expansion of macro ‘SWIG_fail’
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:64: note: in expansion of macro ‘SWIG_fail’
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:64: note: in expansion of macro ‘SWIG_fail’
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:64: note: in expansion of macro ‘SWIG_fail’
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:64: note: in expansion of macro ‘SWIG_fail’
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:64: note: in expansion of macro ‘SWIG_fail’
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBCommentData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:64: note: in expansion of macro ‘SWIG_fail’
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:64: note: in expansion of macro ‘SWIG_fail’
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:64: note: in expansion of macro ‘SWIG_fail’
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:64: note: in expansion of macro ‘SWIG_fail’
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:64: note: in expansion of macro ‘SWIG_fail’
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:64: note: in expansion of macro ‘SWIG_fail’
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:64: note: in expansion of macro ‘SWIG_fail’
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:64: note: in expansion of macro ‘SWIG_fail’
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:64: note: in expansion of macro ‘SWIG_fail’
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetBegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetEnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:64: note: in expansion of macro ‘SWIG_fail’
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:64: note: in expansion of macro ‘SWIG_fail’
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:64: note: in expansion of macro ‘SWIG_fail’
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRingData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:64: note: in expansion of macro ‘SWIG_fail’
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:64: note: in expansion of macro ‘SWIG_fail’
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBUnitCell(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:64: note: in expansion of macro ‘SWIG_fail’
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:64: note: in expansion of macro ‘SWIG_fail’
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:64: note: in expansion of macro ‘SWIG_fail’
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:64: note: in expansion of macro ‘SWIG_fail’
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:64: note: in expansion of macro ‘SWIG_fail’
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:64: note: in expansion of macro ‘SWIG_fail’
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetA(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:64: note: in expansion of macro ‘SWIG_fail’
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:64: note: in expansion of macro ‘SWIG_fail’
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetB(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:64: note: in expansion of macro ‘SWIG_fail’
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:64: note: in expansion of macro ‘SWIG_fail’
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetC(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:64: note: in expansion of macro ‘SWIG_fail’
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:64: note: in expansion of macro ‘SWIG_fail’
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetAlpha(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:64: note: in expansion of macro ‘SWIG_fail’
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:64: note: in expansion of macro ‘SWIG_fail’
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetBeta(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:64: note: in expansion of macro ‘SWIG_fail’
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:64: note: in expansion of macro ‘SWIG_fail’
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetGamma(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:64: note: in expansion of macro ‘SWIG_fail’
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:64: note: in expansion of macro ‘SWIG_fail’
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOffset(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:64: note: in expansion of macro ‘SWIG_fail’
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:64: note: in expansion of macro ‘SWIG_fail’
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:64: note: in expansion of macro ‘SWIG_fail’
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:64: note: in expansion of macro ‘SWIG_fail’
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:64: note: in expansion of macro ‘SWIG_fail’
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:64: note: in expansion of macro ‘SWIG_fail’
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetLatticeType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:64: note: in expansion of macro ‘SWIG_fail’
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:64: note: in expansion of macro ‘SWIG_fail’
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:64: note: in expansion of macro ‘SWIG_fail’
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:64: note: in expansion of macro ‘SWIG_fail’
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVectors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:64: note: in expansion of macro ‘SWIG_fail’
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:64: note: in expansion of macro ‘SWIG_fail’
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:64: note: in expansion of macro ‘SWIG_fail’
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:64: note: in expansion of macro ‘SWIG_fail’
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrthoMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:64: note: in expansion of macro ‘SWIG_fail’
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:64: note: in expansion of macro ‘SWIG_fail’
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrientationMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:64: note: in expansion of macro ‘SWIG_fail’
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:64: note: in expansion of macro ‘SWIG_fail’
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetFractionalMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:64: note: in expansion of macro ‘SWIG_fail’
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:64: note: in expansion of macro ‘SWIG_fail’
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_FractionalToCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:64: note: in expansion of macro ‘SWIG_fail’
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:64: note: in expansion of macro ‘SWIG_fail’
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_CartesianToFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:64: note: in expansion of macro ‘SWIG_fail’
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:64: note: in expansion of macro ‘SWIG_fail’
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapCartesianCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:64: note: in expansion of macro ‘SWIG_fail’
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:64: note: in expansion of macro ‘SWIG_fail’
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapFractionalCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:64: note: in expansion of macro ‘SWIG_fail’
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:64: note: in expansion of macro ‘SWIG_fail’
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapCartesianNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:64: note: in expansion of macro ‘SWIG_fail’
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:64: note: in expansion of macro ‘SWIG_fail’
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapFractionalNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:64: note: in expansion of macro ‘SWIG_fail’
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:64: note: in expansion of macro ‘SWIG_fail’
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:64: note: in expansion of macro ‘SWIG_fail’
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:64: note: in expansion of macro ‘SWIG_fail’
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:64: note: in expansion of macro ‘SWIG_fail’
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:64: note: in expansion of macro ‘SWIG_fail’
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupNumber(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:64: note: in expansion of macro ‘SWIG_fail’
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:64: note: in expansion of macro ‘SWIG_fail’
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:64: note: in expansion of macro ‘SWIG_fail’
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:64: note: in expansion of macro ‘SWIG_fail’
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVolume(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:64: note: in expansion of macro ‘SWIG_fail’
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:64: note: in expansion of macro ‘SWIG_fail’
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConformerData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:64: note: in expansion of macro ‘SWIG_fail’
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:64: note: in expansion of macro ‘SWIG_fail’
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSymmetryData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:64: note: in expansion of macro ‘SWIG_fail’
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:64: note: in expansion of macro ‘SWIG_fail’
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSymmetryData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:64: note: in expansion of macro ‘SWIG_fail’
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:64: note: in expansion of macro ‘SWIG_fail’
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_AddTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:64: note: in expansion of macro ‘SWIG_fail’
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:64: note: in expansion of macro ‘SWIG_fail’
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_SetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:64: note: in expansion of macro ‘SWIG_fail’
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:64: note: in expansion of macro ‘SWIG_fail’
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:64: note: in expansion of macro ‘SWIG_fail’
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:64: note: in expansion of macro ‘SWIG_fail’
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsionData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_SetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:64: note: in expansion of macro ‘SWIG_fail’
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:64: note: in expansion of macro ‘SWIG_fail’
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngleData_FillAngleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:64: note: in expansion of macro ‘SWIG_fail’
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:64: note: in expansion of macro ‘SWIG_fail’
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSerialNums(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:64: note: in expansion of macro ‘SWIG_fail’
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:64: note: in expansion of macro ‘SWIG_fail’
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:64: note: in expansion of macro ‘SWIG_fail’
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:64: note: in expansion of macro ‘SWIG_fail’
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBDOSData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDOSData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbital_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:64: note: in expansion of macro ‘SWIG_fail’
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:64: note: in expansion of macro ‘SWIG_fail’
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:64: note: in expansion of macro ‘SWIG_fail’
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOrbital(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_SetHOMO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:64: note: in expansion of macro ‘SWIG_fail’
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:64: note: in expansion of macro ‘SWIG_fail’
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetAlphaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetBetaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetEDipole(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVectorData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:64: note: in expansion of macro ‘SWIG_fail’
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:64: note: in expansion of macro ‘SWIG_fail’
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBFreeGridPoint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:64: note: in expansion of macro ‘SWIG_fail’
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:64: note: in expansion of macro ‘SWIG_fail’
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPcharge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetAxes(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:64: note: in expansion of macro ‘SWIG_fail’
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetNumberOfPoints(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:64: note: in expansion of macro ‘SWIG_fail’
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:64: note: in expansion of macro ‘SWIG_fail’
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:64: note: in expansion of macro ‘SWIG_fail’
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:64: note: in expansion of macro ‘SWIG_fail’
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetOriginVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:64: note: in expansion of macro ‘SWIG_fail’
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:64: note: in expansion of macro ‘SWIG_fail’
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetLimits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:64: note: in expansion of macro ‘SWIG_fail’
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetValues(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChainsParser_PerceiveChains(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:64: note: in expansion of macro ‘SWIG_fail’
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:64: note: in expansion of macro ‘SWIG_fail’
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomTyper(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:64: note: in expansion of macro ‘SWIG_fail’
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:64: note: in expansion of macro ‘SWIG_fail’
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22531:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22531 |   std::binary_function< char const *,char const *,bool > *result = 0 ; (void)self;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:72: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22542:34: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22542 |    arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CharPtrLess___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:64: note: in expansion of macro ‘SWIG_fail’
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:64: note: in expansion of macro ‘SWIG_fail’
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_MakeInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_GetPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:64: note: in expansion of macro ‘SWIG_fail’
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:64: note: in expansion of macro ‘SWIG_fail’
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:64: note: in expansion of macro ‘SWIG_fail’
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_FirstLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_End(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_LoadAllPlugins(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |                                                                                      ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_stringbuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:64: note: in expansion of macro ‘SWIG_fail’
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:64: note: in expansion of macro ‘SWIG_fail’
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:64: note: in expansion of macro ‘SWIG_fail’
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___lshift__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:64: note: in expansion of macro ‘SWIG_fail’
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:64: note: in expansion of macro ‘SWIG_fail’
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:64: note: in expansion of macro ‘SWIG_fail’
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:64: note: in expansion of macro ‘SWIG_fail’
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:64: note: in expansion of macro ‘SWIG_fail’
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_obLogBuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:64: note: in expansion of macro ‘SWIG_fail’
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:64: note: in expansion of macro ‘SWIG_fail’
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:64: note: in expansion of macro ‘SWIG_fail’
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:64: note: in expansion of macro ‘SWIG_fail’
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:64: note: in expansion of macro ‘SWIG_fail’
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:64: note: in expansion of macro ‘SWIG_fail’
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:64: note: in expansion of macro ‘SWIG_fail’
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:64: note: in expansion of macro ‘SWIG_fail’
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:64: note: in expansion of macro ‘SWIG_fail’
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:64: note: in expansion of macro ‘SWIG_fail’
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:64: note: in expansion of macro ‘SWIG_fail’
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:64: note: in expansion of macro ‘SWIG_fail’
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:64: note: in expansion of macro ‘SWIG_fail’
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:64: note: in expansion of macro ‘SWIG_fail’
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:64: note: in expansion of macro ‘SWIG_fail’
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:64: note: in expansion of macro ‘SWIG_fail’
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:64: note: in expansion of macro ‘SWIG_fail’
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:64: note: in expansion of macro ‘SWIG_fail’
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:64: note: in expansion of macro ‘SWIG_fail’
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:64: note: in expansion of macro ‘SWIG_fail’
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:64: note: in expansion of macro ‘SWIG_fail’
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:64: note: in expansion of macro ‘SWIG_fail’
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:64: note: in expansion of macro ‘SWIG_fail’
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:64: note: in expansion of macro ‘SWIG_fail’
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:64: note: in expansion of macro ‘SWIG_fail’
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:64: note: in expansion of macro ‘SWIG_fail’
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:64: note: in expansion of macro ‘SWIG_fail’
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:64: note: in expansion of macro ‘SWIG_fail’
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:64: note: in expansion of macro ‘SWIG_fail’
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:64: note: in expansion of macro ‘SWIG_fail’
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:64: note: in expansion of macro ‘SWIG_fail’
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:64: note: in expansion of macro ‘SWIG_fail’
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:64: note: in expansion of macro ‘SWIG_fail’
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RemoveOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterOptionParam(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:64: note: in expansion of macro ‘SWIG_fail’
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:64: note: in expansion of macro ‘SWIG_fail’
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:64: note: in expansion of macro ‘SWIG_fail’
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_CopyOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:64: note: in expansion of macro ‘SWIG_fail’
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:64: note: in expansion of macro ‘SWIG_fail’
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Convert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:64: note: in expansion of macro ‘SWIG_fail’
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:64: note: in expansion of macro ‘SWIG_fail’
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetFirstInput(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:64: note: in expansion of macro ‘SWIG_fail’
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:64: note: in expansion of macro ‘SWIG_fail’
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOneObjectOnly(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:64: note: in expansion of macro ‘SWIG_fail’
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:64: note: in expansion of macro ‘SWIG_fail’
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Write(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:64: note: in expansion of macro ‘SWIG_fail’
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:64: note: in expansion of macro ‘SWIG_fail’
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_WriteString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:64: note: in expansion of macro ‘SWIG_fail’
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:64: note: in expansion of macro ‘SWIG_fail’
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Read(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:64: note: in expansion of macro ‘SWIG_fail’
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:64: note: in expansion of macro ‘SWIG_fail’
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_ReportNumberConverted(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:64: note: in expansion of macro ‘SWIG_fail’
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:64: note: in expansion of macro ‘SWIG_fail’
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtomAssignTypicalImplicitHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:64: note: in expansion of macro ‘SWIG_fail’
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetAllredRochowElectroNeg(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:64: note: in expansion of macro ‘SWIG_fail’
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetNum(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:64: note: in expansion of macro ‘SWIG_fail’
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetAtomID(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:64: note: in expansion of macro ‘SWIG_fail’
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:64: note: in expansion of macro ‘SWIG_fail’
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_BeginAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_EndAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:64: note: in expansion of macro ‘SWIG_fail’
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:64: note: in expansion of macro ‘SWIG_fail’
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:64: note: in expansion of macro ‘SWIG_fail’
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:64: note: in expansion of macro ‘SWIG_fail’
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:64: note: in expansion of macro ‘SWIG_fail’
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:64: note: in expansion of macro ‘SWIG_fail’
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:64: note: in expansion of macro ‘SWIG_fail’
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:64: note: in expansion of macro ‘SWIG_fail’
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:64: note: in expansion of macro ‘SWIG_fail’
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:64: note: in expansion of macro ‘SWIG_fail’
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:64: note: in expansion of macro ‘SWIG_fail’
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:64: note: in expansion of macro ‘SWIG_fail’
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:64: note: in expansion of macro ‘SWIG_fail’
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:64: note: in expansion of macro ‘SWIG_fail’
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:64: note: in expansion of macro ‘SWIG_fail’
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearCoordPtr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:64: note: in expansion of macro ‘SWIG_fail’
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:64: note: in expansion of macro ‘SWIG_fail’
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_BeginBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_EndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetDistance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:64: note: in expansion of macro ‘SWIG_fail’
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:64: note: in expansion of macro ‘SWIG_fail’
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_NewResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ExplicitHydrogenCount(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:64: note: in expansion of macro ‘SWIG_fail’
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:64: note: in expansion of macro ‘SWIG_fail’
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_HasAlphaBetaUnsat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:64: note: in expansion of macro ‘SWIG_fail’
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:64: note: in expansion of macro ‘SWIG_fail’
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_MatchesSMARTS(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:64: note: in expansion of macro ‘SWIG_fail’
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:64: note: in expansion of macro ‘SWIG_fail’
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:64: note: in expansion of macro ‘SWIG_fail’
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:64: note: in expansion of macro ‘SWIG_fail’
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:64: note: in expansion of macro ‘SWIG_fail’
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:64: note: in expansion of macro ‘SWIG_fail’
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:64: note: in expansion of macro ‘SWIG_fail’
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:64: note: in expansion of macro ‘SWIG_fail’
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:64: note: in expansion of macro ‘SWIG_fail’
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:64: note: in expansion of macro ‘SWIG_fail’
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:64: note: in expansion of macro ‘SWIG_fail’
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:64: note: in expansion of macro ‘SWIG_fail’
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:64: note: in expansion of macro ‘SWIG_fail’
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:64: note: in expansion of macro ‘SWIG_fail’
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetBeginAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:64: note: in expansion of macro ‘SWIG_fail’
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:64: note: in expansion of macro ‘SWIG_fail’
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetEndAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:64: note: in expansion of macro ‘SWIG_fail’
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:64: note: in expansion of macro ‘SWIG_fail’
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_IsRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:64: note: in expansion of macro ‘SWIG_fail’
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:64: note: in expansion of macro ‘SWIG_fail’
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetComment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetReversible(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:64: note: in expansion of macro ‘SWIG_fail’
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:64: note: in expansion of macro ‘SWIG_fail’
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReactionFacade_AssignComponentIds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:64: note: in expansion of macro ‘SWIG_fail’
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:64: note: in expansion of macro ‘SWIG_fail’
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:64: note: in expansion of macro ‘SWIG_fail’
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:64: note: in expansion of macro ‘SWIG_fail’
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:64: note: in expansion of macro ‘SWIG_fail’
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:64: note: in expansion of macro ‘SWIG_fail’
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:64: note: in expansion of macro ‘SWIG_fail’
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:64: note: in expansion of macro ‘SWIG_fail’
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:64: note: in expansion of macro ‘SWIG_fail’
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:64: note: in expansion of macro ‘SWIG_fail’
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:64: note: in expansion of macro ‘SWIG_fail’
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:64: note: in expansion of macro ‘SWIG_fail’
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:64: note: in expansion of macro ‘SWIG_fail’
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:64: note: in expansion of macro ‘SWIG_fail’
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_BeginModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:64: note: in expansion of macro ‘SWIG_fail’
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:64: note: in expansion of macro ‘SWIG_fail’
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_IncrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DecrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:64: note: in expansion of macro ‘SWIG_fail’
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:64: note: in expansion of macro ‘SWIG_fail’
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NumRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:64: note: in expansion of macro ‘SWIG_fail’
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:64: note: in expansion of macro ‘SWIG_fail’
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:64: note: in expansion of macro ‘SWIG_fail’
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:64: note: in expansion of macro ‘SWIG_fail’
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetSpacedFormula(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:64: note: in expansion of macro ‘SWIG_fail’
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:64: note: in expansion of macro ‘SWIG_fail’
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:64: note: in expansion of macro ‘SWIG_fail’
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:64: note: in expansion of macro ‘SWIG_fail’
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetMolWt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:64: note: in expansion of macro ‘SWIG_fail’
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:64: note: in expansion of macro ‘SWIG_fail’
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:64: note: in expansion of macro ‘SWIG_fail’
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:64: note: in expansion of macro ‘SWIG_fail’
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:64: note: in expansion of macro ‘SWIG_fail’
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:64: note: in expansion of macro ‘SWIG_fail’
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:64: note: in expansion of macro ‘SWIG_fail’
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:64: note: in expansion of macro ‘SWIG_fail’
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:64: note: in expansion of macro ‘SWIG_fail’
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:64: note: in expansion of macro ‘SWIG_fail’
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:64: note: in expansion of macro ‘SWIG_fail’
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:64: note: in expansion of macro ‘SWIG_fail’
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:64: note: in expansion of macro ‘SWIG_fail’
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:64: note: in expansion of macro ‘SWIG_fail’
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:64: note: in expansion of macro ‘SWIG_fail’
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:64: note: in expansion of macro ‘SWIG_fail’
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:64: note: in expansion of macro ‘SWIG_fail’
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:64: note: in expansion of macro ‘SWIG_fail’
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:64: note: in expansion of macro ‘SWIG_fail’
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:64: note: in expansion of macro ‘SWIG_fail’
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:64: note: in expansion of macro ‘SWIG_fail’
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:64: note: in expansion of macro ‘SWIG_fail’
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:64: note: in expansion of macro ‘SWIG_fail’
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:64: note: in expansion of macro ‘SWIG_fail’
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:64: note: in expansion of macro ‘SWIG_fail’
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:64: note: in expansion of macro ‘SWIG_fail’
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:64: note: in expansion of macro ‘SWIG_fail’
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:64: note: in expansion of macro ‘SWIG_fail’
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:64: note: in expansion of macro ‘SWIG_fail’
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:64: note: in expansion of macro ‘SWIG_fail’
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:64: note: in expansion of macro ‘SWIG_fail’
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:64: note: in expansion of macro ‘SWIG_fail’
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:64: note: in expansion of macro ‘SWIG_fail’
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:64: note: in expansion of macro ‘SWIG_fail’
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:64: note: in expansion of macro ‘SWIG_fail’
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:64: note: in expansion of macro ‘SWIG_fail’
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:64: note: in expansion of macro ‘SWIG_fail’
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:64: note: in expansion of macro ‘SWIG_fail’
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:64: note: in expansion of macro ‘SWIG_fail’
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_RenumberAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:64: note: in expansion of macro ‘SWIG_fail’
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:64: note: in expansion of macro ‘SWIG_fail’
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:64: note: in expansion of macro ‘SWIG_fail’
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:64: note: in expansion of macro ‘SWIG_fail’
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:64: note: in expansion of macro ‘SWIG_fail’
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:64: note: in expansion of macro ‘SWIG_fail’
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:64: note: in expansion of macro ‘SWIG_fail’
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:64: note: in expansion of macro ‘SWIG_fail’
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:64: note: in expansion of macro ‘SWIG_fail’
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:64: note: in expansion of macro ‘SWIG_fail’
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:64: note: in expansion of macro ‘SWIG_fail’
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:64: note: in expansion of macro ‘SWIG_fail’
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:64: note: in expansion of macro ‘SWIG_fail’
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:64: note: in expansion of macro ‘SWIG_fail’
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:64: note: in expansion of macro ‘SWIG_fail’
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_StripSalts(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:64: note: in expansion of macro ‘SWIG_fail’
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:64: note: in expansion of macro ‘SWIG_fail’
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:64: note: in expansion of macro ‘SWIG_fail’
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:64: note: in expansion of macro ‘SWIG_fail’
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:64: note: in expansion of macro ‘SWIG_fail’
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:64: note: in expansion of macro ‘SWIG_fail’
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:64: note: in expansion of macro ‘SWIG_fail’
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:64: note: in expansion of macro ‘SWIG_fail’
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:64: note: in expansion of macro ‘SWIG_fail’
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:64: note: in expansion of macro ‘SWIG_fail’
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:64: note: in expansion of macro ‘SWIG_fail’
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AssignSpinMultiplicity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:64: note: in expansion of macro ‘SWIG_fail’
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:64: note: in expansion of macro ‘SWIG_fail’
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:64: note: in expansion of macro ‘SWIG_fail’
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindSSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindLSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindRingAtomsAndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ConnectTheDots(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_PerceiveBondOrders(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindAngles(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindTorsions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:64: note: in expansion of macro ‘SWIG_fail’
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetEnergy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:64: note: in expansion of macro ‘SWIG_fail’
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:64: note: in expansion of macro ‘SWIG_fail’
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:64: note: in expansion of macro ‘SWIG_fail’
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:64: note: in expansion of macro ‘SWIG_fail’
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:64: note: in expansion of macro ‘SWIG_fail’
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:64: note: in expansion of macro ‘SWIG_fail’
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:64: note: in expansion of macro ‘SWIG_fail’
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:64: note: in expansion of macro ‘SWIG_fail’
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_IsMember(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:64: note: in expansion of macro ‘SWIG_fail’
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRTree(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSmartsPattern(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:64: note: in expansion of macro ‘SWIG_fail’
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:64: note: in expansion of macro ‘SWIG_fail’
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:64: note: in expansion of macro ‘SWIG_fail’
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:64: note: in expansion of macro ‘SWIG_fail’
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:64: note: in expansion of macro ‘SWIG_fail’
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:64: note: in expansion of macro ‘SWIG_fail’
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_RestrictedMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:64: note: in expansion of macro ‘SWIG_fail’
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:64: note: in expansion of macro ‘SWIG_fail’
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:64: note: in expansion of macro ‘SWIG_fail’
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsMatcher_match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:64: note: in expansion of macro ‘SWIG_fail’
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:64: note: in expansion of macro ‘SWIG_fail’
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSSMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSSMatch_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:64: note: in expansion of macro ‘SWIG_fail’
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:64: note: in expansion of macro ‘SWIG_fail’
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:64: note: in expansion of macro ‘SWIG_fail’
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_GetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:64: note: in expansion of macro ‘SWIG_fail’
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:64: note: in expansion of macro ‘SWIG_fail’
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_AliasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:64: note: in expansion of macro ‘SWIG_fail’
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:64: note: in expansion of macro ‘SWIG_fail’
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_DescribeBits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:64: note: in expansion of macro ‘SWIG_fail’
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:64: note: in expansion of macro ‘SWIG_fail’
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:64: note: in expansion of macro ‘SWIG_fail’
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_fpid_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                              ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_datafilename_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                                       ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FastSearch_FindSimilar(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:64: note: in expansion of macro ‘SWIG_fail’
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:64: note: in expansion of macro ‘SWIG_fail’
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:64: note: in expansion of macro ‘SWIG_fail’
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:64: note: in expansion of macro ‘SWIG_fail’
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:64: note: in expansion of macro ‘SWIG_fail’
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:64: note: in expansion of macro ‘SWIG_fail’
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:64: note: in expansion of macro ‘SWIG_fail’
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:64: note: in expansion of macro ‘SWIG_fail’
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:64: note: in expansion of macro ‘SWIG_fail’
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Predict(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:64: note: in expansion of macro ‘SWIG_fail’
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:64: note: in expansion of macro ‘SWIG_fail’
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_PredictAndSave(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:64: note: in expansion of macro ‘SWIG_fail’
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:64: note: in expansion of macro ‘SWIG_fail’
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_GetStringValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:64: note: in expansion of macro ‘SWIG_fail’
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:64: note: in expansion of macro ‘SWIG_fail’
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Compare(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:64: note: in expansion of macro ‘SWIG_fail’
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:64: note: in expansion of macro ‘SWIG_fail’
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:64: note: in expansion of macro ‘SWIG_fail’
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:64: note: in expansion of macro ‘SWIG_fail’
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Order(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:64: note: in expansion of macro ‘SWIG_fail’
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_AddProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_DeleteProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:64: note: in expansion of macro ‘SWIG_fail’
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SetParameterFile(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:64: note: in expansion of macro ‘SWIG_fail’
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:64: note: in expansion of macro ‘SWIG_fail’
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGrid(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGradient(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:64: note: in expansion of macro ‘SWIG_fail’
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:64: note: in expansion of macro ‘SWIG_fail’
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Energy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:64: note: in expansion of macro ‘SWIG_fail’
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:64: note: in expansion of macro ‘SWIG_fail’
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Bond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:64: note: in expansion of macro ‘SWIG_fail’
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:64: note: in expansion of macro ‘SWIG_fail’
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Angle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:64: note: in expansion of macro ‘SWIG_fail’
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:64: note: in expansion of macro ‘SWIG_fail’
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_StrBnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:64: note: in expansion of macro ‘SWIG_fail’
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:64: note: in expansion of macro ‘SWIG_fail’
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Torsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:64: note: in expansion of macro ‘SWIG_fail’
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:64: note: in expansion of macro ‘SWIG_fail’
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_OOP(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:64: note: in expansion of macro ‘SWIG_fail’
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:64: note: in expansion of macro ‘SWIG_fail’
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_VDW(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:64: note: in expansion of macro ‘SWIG_fail’
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:64: note: in expansion of macro ‘SWIG_fail’
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Electrostatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:64: note: in expansion of macro ‘SWIG_fail’
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:64: note: in expansion of macro ‘SWIG_fail’
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:64: note: in expansion of macro ‘SWIG_fail’
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:64: note: in expansion of macro ‘SWIG_fail’
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:64: note: in expansion of macro ‘SWIG_fail’
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:64: note: in expansion of macro ‘SWIG_fail’
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:119: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:64: note: in expansion of macro ‘SWIG_fail’
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:64: note: in expansion of macro ‘SWIG_fail’
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:64: note: in expansion of macro ‘SWIG_fail’
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:122: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:64: note: in expansion of macro ‘SWIG_fail’
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:64: note: in expansion of macro ‘SWIG_fail’
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:64: note: in expansion of macro ‘SWIG_fail’
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:64: note: in expansion of macro ‘SWIG_fail’
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:64: note: in expansion of macro ‘SWIG_fail’
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:64: note: in expansion of macro ‘SWIG_fail’
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:64: note: in expansion of macro ‘SWIG_fail’
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:64: note: in expansion of macro ‘SWIG_fail’
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:118: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:64: note: in expansion of macro ‘SWIG_fail’
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:64: note: in expansion of macro ‘SWIG_fail’
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_WeightedRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:64: note: in expansion of macro ‘SWIG_fail’
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:64: note: in expansion of macro ‘SWIG_fail’
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FastRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:64: note: in expansion of macro ‘SWIG_fail’
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:64: note: in expansion of macro ‘SWIG_fail’
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_DiverseConfGen(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:64: note: in expansion of macro ‘SWIG_fail’
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:64: note: in expansion of macro ‘SWIG_fail’
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:64: note: in expansion of macro ‘SWIG_fail’
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:64: note: in expansion of macro ‘SWIG_fail’
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_LineSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:64: note: in expansion of macro ‘SWIG_fail’
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescent(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:64: note: in expansion of macro ‘SWIG_fail’
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:64: note: in expansion of macro ‘SWIG_fail’
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:64: note: in expansion of macro ‘SWIG_fail’
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescentInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:113: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:64: note: in expansion of macro ‘SWIG_fail’
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:64: note: in expansion of macro ‘SWIG_fail’
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:64: note: in expansion of macro ‘SWIG_fail’
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:64: note: in expansion of macro ‘SWIG_fail’
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradients(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:64: note: in expansion of macro ‘SWIG_fail’
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:64: note: in expansion of macro ‘SWIG_fail’
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:64: note: in expansion of macro ‘SWIG_fail’
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradientsInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:116: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:64: note: in expansion of macro ‘SWIG_fail’
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:64: note: in expansion of macro ‘SWIG_fail’
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:64: note: in expansion of macro ‘SWIG_fail’
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:64: note: in expansion of macro ‘SWIG_fail’
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_MolecularDynamicsTakeNSteps(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:64: note: in expansion of macro ‘SWIG_fail’
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:64: note: in expansion of macro ‘SWIG_fail’
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:64: note: in expansion of macro ‘SWIG_fail’
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_IgnoreCalculation(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:64: note: in expansion of macro ‘SWIG_fail’
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:64: note: in expansion of macro ‘SWIG_fail’
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:64: note: in expansion of macro ‘SWIG_fail’
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:64: note: in expansion of macro ‘SWIG_fail’
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:64: note: in expansion of macro ‘SWIG_fail’
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:64: note: in expansion of macro ‘SWIG_fail’
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:64: note: in expansion of macro ‘SWIG_fail’
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:111: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:64: note: in expansion of macro ‘SWIG_fail’
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:64: note: in expansion of macro ‘SWIG_fail’
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Build(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:64: note: in expansion of macro ‘SWIG_fail’
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:64: note: in expansion of macro ‘SWIG_fail’
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_SetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_UnsetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_AddRingFragment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_LoadFragments(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_GetNewBondVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:64: note: in expansion of macro ‘SWIG_fail’
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:64: note: in expansion of macro ‘SWIG_fail’
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:64: note: in expansion of macro ‘SWIG_fail’
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:64: note: in expansion of macro ‘SWIG_fail’
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:64: note: in expansion of macro ‘SWIG_fail’
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:64: note: in expansion of macro ‘SWIG_fail’
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:64: note: in expansion of macro ‘SWIG_fail’
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBuilder(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:64: note: in expansion of macro ‘SWIG_fail’
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:64: note: in expansion of macro ‘SWIG_fail’
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOp(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:64: note: in expansion of macro ‘SWIG_fail’
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:64: note: in expansion of macro ‘SWIG_fail’
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:64: note: in expansion of macro ‘SWIG_fail’
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:64: note: in expansion of macro ‘SWIG_fail’
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChemTsfm_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPhModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPhModel_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:64: note: in expansion of macro ‘SWIG_fail’
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:64: note: in expansion of macro ‘SWIG_fail’
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGraphSym(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:64: note: in expansion of macro ‘SWIG_fail’
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:64: note: in expansion of macro ‘SWIG_fail’
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:64: note: in expansion of macro ‘SWIG_fail’
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:64: note: in expansion of macro ‘SWIG_fail’
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapFirst(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:64: note: in expansion of macro ‘SWIG_fail’
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:64: note: in expansion of macro ‘SWIG_fail’
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapUnique(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:64: note: in expansion of macro ‘SWIG_fail’
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:64: note: in expansion of macro ‘SWIG_fail’
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapAll(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:64: note: in expansion of macro ‘SWIG_fail’
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:64: note: in expansion of macro ‘SWIG_fail’
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:64: note: in expansion of macro ‘SWIG_fail’
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapGeneric(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:64: note: in expansion of macro ‘SWIG_fail’
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:64: note: in expansion of macro ‘SWIG_fail’
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_MapsTo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:76: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_7(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:64: note: in expansion of macro ‘SWIG_fail’
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:64: note: in expansion of macro ‘SWIG_fail’
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:64: note: in expansion of macro ‘SWIG_fail’
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:64: note: in expansion of macro ‘SWIG_fail’
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:64: note: in expansion of macro ‘SWIG_fail’
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:64: note: in expansion of macro ‘SWIG_fail’
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:64: note: in expansion of macro ‘SWIG_fail’
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:64: note: in expansion of macro ‘SWIG_fail’
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:64: note: in expansion of macro ‘SWIG_fail’
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:64: note: in expansion of macro ‘SWIG_fail’
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetNbrs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:64: note: in expansion of macro ‘SWIG_fail’
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:64: note: in expansion of macro ‘SWIG_fail’
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:64: note: in expansion of macro ‘SWIG_fail’
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:64: note: in expansion of macro ‘SWIG_fail’
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:64: note: in expansion of macro ‘SWIG_fail’
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:64: note: in expansion of macro ‘SWIG_fail’
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:64: note: in expansion of macro ‘SWIG_fail’
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:64: note: in expansion of macro ‘SWIG_fail’
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:64: note: in expansion of macro ‘SWIG_fail’
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:64: note: in expansion of macro ‘SWIG_fail’
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:64: note: in expansion of macro ‘SWIG_fail’
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:64: note: in expansion of macro ‘SWIG_fail’
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:64: note: in expansion of macro ‘SWIG_fail’
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsSameRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_NumInversions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_Permutated(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                                         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:64: note: in expansion of macro ‘SWIG_fail’
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:64: note: in expansion of macro ‘SWIG_fail’
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:64: note: in expansion of macro ‘SWIG_fail’
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoFacade(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:64: note: in expansion of macro ‘SWIG_fail’
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:64: note: in expansion of macro ‘SWIG_fail’
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:64: note: in expansion of macro ‘SWIG_fail’
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:64: note: in expansion of macro ‘SWIG_fail’
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:64: note: in expansion of macro ‘SWIG_fail’
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:64: note: in expansion of macro ‘SWIG_fail’
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:64: note: in expansion of macro ‘SWIG_fail’
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:64: note: in expansion of macro ‘SWIG_fail’
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:64: note: in expansion of macro ‘SWIG_fail’
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:64: note: in expansion of macro ‘SWIG_fail’
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:64: note: in expansion of macro ‘SWIG_fail’
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:64: note: in expansion of macro ‘SWIG_fail’
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:64: note: in expansion of macro ‘SWIG_fail’
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:64: note: in expansion of macro ‘SWIG_fail’
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:64: note: in expansion of macro ‘SWIG_fail’
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:64: note: in expansion of macro ‘SWIG_fail’
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:64: note: in expansion of macro ‘SWIG_fail’
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:64: note: in expansion of macro ‘SWIG_fail’
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:64: note: in expansion of macro ‘SWIG_fail’
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:64: note: in expansion of macro ‘SWIG_fail’
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:64: note: in expansion of macro ‘SWIG_fail’
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRotorRule(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:64: note: in expansion of macro ‘SWIG_fail’
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:64: note: in expansion of macro ‘SWIG_fail’
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:64: note: in expansion of macro ‘SWIG_fail’
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:64: note: in expansion of macro ‘SWIG_fail’
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_GetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:64: note: in expansion of macro ‘SWIG_fail’
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:64: note: in expansion of macro ‘SWIG_fail’
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:64: note: in expansion of macro ‘SWIG_fail’
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:64: note: in expansion of macro ‘SWIG_fail’
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_FindRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:64: note: in expansion of macro ‘SWIG_fail’
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:64: note: in expansion of macro ‘SWIG_fail’
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_BeginRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_EndRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_rotor_digit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:64: note: in expansion of macro ‘SWIG_fail’
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:64: note: in expansion of macro ‘SWIG_fail’
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:64: note: in expansion of macro ‘SWIG_fail’
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:64: note: in expansion of macro ‘SWIG_fail’
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_AddRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:64: note: in expansion of macro ‘SWIG_fail’
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_BeginRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_EndRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_SetBaseCoordinateSets(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:64: note: in expansion of macro ‘SWIG_fail’
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:64: note: in expansion of macro ‘SWIG_fail’
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSpectrophore(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:64: note: in expansion of macro ‘SWIG_fail’
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:64: note: in expansion of macro ‘SWIG_fail’
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetResolution(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:64: note: in expansion of macro ‘SWIG_fail’
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:64: note: in expansion of macro ‘SWIG_fail’
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetAccuracy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:64: note: in expansion of macro ‘SWIG_fail’
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:64: note: in expansion of macro ‘SWIG_fail’
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:64: note: in expansion of macro ‘SWIG_fail’
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:64: note: in expansion of macro ‘SWIG_fail’
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetNormalization(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:64: note: in expansion of macro ‘SWIG_fail’
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:64: note: in expansion of macro ‘SWIG_fail’
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerFilter_IsGood(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:64: note: in expansion of macro ‘SWIG_fail’
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:64: note: in expansion of macro ‘SWIG_fail’
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:64: note: in expansion of macro ‘SWIG_fail’
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:64: note: in expansion of macro ‘SWIG_fail’
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerScore_Score(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:64: note: in expansion of macro ‘SWIG_fail’
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:64: note: in expansion of macro ‘SWIG_fail’
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:64: note: in expansion of macro ‘SWIG_fail’
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:64: note: in expansion of macro ‘SWIG_fail’
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:64: note: in expansion of macro ‘SWIG_fail’
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetSharing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:64: note: in expansion of macro ‘SWIG_fail’
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:64: note: in expansion of macro ‘SWIG_fail’
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetLocalOptRate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:64: note: in expansion of macro ‘SWIG_fail’
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:64: note: in expansion of macro ‘SWIG_fail’
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:64: note: in expansion of macro ‘SWIG_fail’
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:64: note: in expansion of macro ‘SWIG_fail’
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetTarget(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:64: note: in expansion of macro ‘SWIG_fail’
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:64: note: in expansion of macro ‘SWIG_fail’
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:64: note: in expansion of macro ‘SWIG_fail’
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:64: note: in expansion of macro ‘SWIG_fail’
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomDFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:64: note: in expansion of macro ‘SWIG_fail’
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:64: note: in expansion of macro ‘SWIG_fail’
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:64: note: in expansion of macro ‘SWIG_fail’
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomDFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:64: note: in expansion of macro ‘SWIG_fail’
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:64: note: in expansion of macro ‘SWIG_fail’
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:64: note: in expansion of macro ‘SWIG_fail’
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:64: note: in expansion of macro ‘SWIG_fail’
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:64: note: in expansion of macro ‘SWIG_fail’
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:64: note: in expansion of macro ‘SWIG_fail’
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:64: note: in expansion of macro ‘SWIG_fail’
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMolBondBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:64: note: in expansion of macro ‘SWIG_fail’
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:64: note: in expansion of macro ‘SWIG_fail’
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:64: note: in expansion of macro ‘SWIG_fail’
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMolBondBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:64: note: in expansion of macro ‘SWIG_fail’
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:64: note: in expansion of macro ‘SWIG_fail’
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:64: note: in expansion of macro ‘SWIG_fail’
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:64: note: in expansion of macro ‘SWIG_fail’
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:64: note: in expansion of macro ‘SWIG_fail’
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:64: note: in expansion of macro ‘SWIG_fail’
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:64: note: in expansion of macro ‘SWIG_fail’
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:64: note: in expansion of macro ‘SWIG_fail’
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:64: note: in expansion of macro ‘SWIG_fail’
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:64: note: in expansion of macro ‘SWIG_fail’
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:64: note: in expansion of macro ‘SWIG_fail’
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:64: note: in expansion of macro ‘SWIG_fail’
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:64: note: in expansion of macro ‘SWIG_fail’
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:64: note: in expansion of macro ‘SWIG_fail’
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:3: warning: this ‘if’ clause does not guard... [-Wmimake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
sleading-indentation]
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:64: note: in expansion of macro ‘SWIG_fail’
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:64: note: in expansion of macro ‘SWIG_fail’
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:64: note: in expansion of macro ‘SWIG_fail’
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:64: note: in expansion of macro ‘SWIG_fail’
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:64: note: in expansion of macro ‘SWIG_fail’
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:64: note: in expansion of macro ‘SWIG_fail’
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:64: note: in expansion of macro ‘SWIG_fail’
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:64: note: in expansion of macro ‘SWIG_fail’
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAngleIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:64: note: in expansion of macro ‘SWIG_fail’
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:64: note: in expansion of macro ‘SWIG_fail’
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolTorsionIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:64: note: in expansion of macro ‘SWIG_fail’
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:64: note: in expansion of macro ‘SWIG_fail’
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolPairIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:64: note: in expansion of macro ‘SWIG_fail’
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:64: note: in expansion of macro ‘SWIG_fail’
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolRingIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:64: note: in expansion of macro ‘SWIG_fail’
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:64: note: in expansion of macro ‘SWIG_fail’
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolRingIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:64: note: in expansion of macro ‘SWIG_fail’
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:64: note: in expansion of macro ‘SWIG_fail’
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_doubleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_doubleArray_frompointer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTetrahedralStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:64: note: in expansion of macro ‘SWIG_fail’
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:64: note: in expansion of macro ‘SWIG_fail’
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:64: note: in expansion of macro ‘SWIG_fail’
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:64: note: in expansion of macro ‘SWIG_fail’
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:64: note: in expansion of macro ‘SWIG_fail’
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCisTransStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:64: note: in expansion of macro ‘SWIG_fail’
45059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:64: note: in expansion of macro ‘SWIG_fail’
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:64: note: in expansion of macro ‘SWIG_fail’
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSquarePlanarStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:64: note: in expansion of macro ‘SWIG_fail’
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:64: note: in expansion of macro ‘SWIG_fail’
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:64: note: in expansion of macro ‘SWIG_fail’
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:50851:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
50851 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Linking CXX executable ../bin/test_runner
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_runner.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/test_runner.dir/link.d CMakeFiles/test_runner.dir/test_runner.cpp.o CMakeFiles/test_runner.dir/aligntest.cpp.o CMakeFiles/test_runner.dir/aliastest.cpp.o CMakeFiles/test_runner.dir/automorphismtest.cpp.o CMakeFiles/test_runner.dir/buildertest.cpp.o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o CMakeFiles/test_runner.dir/canonstabletest.cpp.o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cistranstest.cpp.o CMakeFiles/test_runner.dir/conversiontest.cpp.o CMakeFiles/test_runner.dir/graphsymtest.cpp.o CMakeFiles/test_runner.dir/gziptest.cpp.o CMakeFiles/test_runner.dir/addhtest.cpp.o CMakeFiles/test_runner.dir/implicitHtest.cpp.o CMakeFiles/test_runner.dir/lssrtest.cpp.o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o CMakeFiles/test_runner.dir/multicmltest.cpp.o CMakeFiles/test_runner.dir/periodictest.cpp.o CMakeFiles/test_runner.dir/regressionstest.cpp.o CMakeFiles/test_runner.dir/rotortest.cpp.o CMakeFiles/test_runner.dir/shuffletest.cpp.o CMakeFiles/test_runner.dir/smilestest.cpp.o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o CMakeFiles/test_runner.dir/squareplanartest.cpp.o CMakeFiles/test_runner.dir/stereotest.cpp.o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o CMakeFiles/test_runner.dir/tautomertest.cpp.o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o CMakeFiles/test_runner.dir/aromatest.cpp.o CMakeFiles/test_runner.dir/atom.cpp.o CMakeFiles/test_runner.dir/bond.cpp.o CMakeFiles/test_runner.dir/cansmi.cpp.o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o CMakeFiles/test_runner.dir/conversion.cpp.o CMakeFiles/test_runner.dir/datatest.cpp.o CMakeFiles/test_runner.dir/ffgaff.cpp.o CMakeFiles/test_runner.dir/ffghemical.cpp.o CMakeFiles/test_runner.dir/ffmmff94.cpp.o CMakeFiles/test_runner.dir/ffuff.cpp.o CMakeFiles/test_runner.dir/formalcharge.cpp.o CMakeFiles/test_runner.dir/format.cpp.o CMakeFiles/test_runner.dir/formula.cpp.o CMakeFiles/test_runner.dir/internalcoord.cpp.o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o CMakeFiles/test_runner.dir/iterators.cpp.o CMakeFiles/test_runner.dir/logp_psa.cpp.o CMakeFiles/test_runner.dir/math.cpp.o CMakeFiles/test_runner.dir/mol.cpp.o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o CMakeFiles/test_runner.dir/phmodel.cpp.o CMakeFiles/test_runner.dir/residue.cpp.o CMakeFiles/test_runner.dir/ringtest.cpp.o CMakeFiles/test_runner.dir/smartstest.cpp.o CMakeFiles/test_runner.dir/smartsparse.cpp.o CMakeFiles/test_runner.dir/smilesmatch.cpp.o CMakeFiles/test_runner.dir/unitcell.cpp.o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o CMakeFiles/test_runner.dir/obtest.cpp.o -o ../bin/test_runner  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Built target test_runner
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_perl_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -MF CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o.d -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1794:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1795:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1805:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1768:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorUnsignedInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorpOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetReadDirectory(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:785:
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:47: note: in expansion of macro ‘XSRETURN’
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetEnvironmentVariable(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:47: note: in expansion of macro ‘XSRETURN’
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_ParseLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:47: note: in expansion of macro ‘XSRETURN’
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetFromType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:47: note: in expansion of macro ‘XSRETURN’
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetToType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:47: note: in expansion of macro ‘XSRETURN’
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:43: note: in expansion of macro ‘XSRETURN’
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:43: note: in expansion of macro ‘XSRETURN’
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_SetResName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:43: note: in expansion of macro ‘XSRETURN’
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:43: note: in expansion of macro ‘XSRETURN’
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:43: note: in expansion of macro ‘XSRETURN’
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_vector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_end(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_add(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_x(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_y(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_z(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_matrix3x3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_matrix3x3___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___mul__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBBitVec(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FirstBit(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FromString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:43: note: in expansion of macro ‘XSRETURN’
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___sub__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBGenericData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGenericData_SetAttribute(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:43: note: in expansion of macro ‘XSRETURN’
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:47: note: in expansion of macro ‘XSRETURN’
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:43: note: in expansion of macro ‘XSRETURN’
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:47: note: in expansion of macro ‘XSRETURN’
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:43: note: in expansion of macro ‘XSRETURN’
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:43: note: in expansion of macro ‘XSRETURN’
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:47: note: in expansion of macro ‘XSRETURN’
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:43: note: in expansion of macro ‘XSRETURN’
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:47: note: in expansion of macro ‘XSRETURN’
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBExternalBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:47: note: in expansion of macro ‘XSRETURN’
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:43: note: in expansion of macro ‘XSRETURN’
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:47: note: in expansion of macro ‘XSRETURN’
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:43: note: in expansion of macro ‘XSRETURN’
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBVirtualBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetA(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetB(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetC(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetAlpha(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetBeta(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetGamma(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOffset(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetLatticeType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVectors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrthoMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrientationMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetFractionalMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_FractionalToCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_CartesianToFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapCartesianCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapFractionalCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapCartesianNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapFractionalNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupNumber(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVolume(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSymmetryData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_AddTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_SetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngle_SetAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngleData_FillAngleArray(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVibrationData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbital_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbitalData_SetHOMO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVectorData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetAxes(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetNumberOfPoints(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetOriginVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_SetLimits(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11205:45: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11205 | XS(_wrap_new_Dummy) { { int argvi = 0; std::binary_function< char const *,char const *,bool > *result = 0 ; dXSARGS;
      |                                             ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:20: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:81: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                                 ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_delete_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11217:36: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11217 |      arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_CharPtrLess___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:47: note: in expansion of macro ‘XSRETURN’
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_GetPlugin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:47: note: in expansion of macro ‘XSRETURN’
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:47: note: in expansion of macro ‘XSRETURN’
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_FirstLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:47: note: in expansion of macro ‘XSRETURN’
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:47: note: in expansion of macro ‘XSRETURN’
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_End(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:47: note: in expansion of macro ‘XSRETURN’
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:43: note: in expansion of macro ‘XSRETURN’
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_5(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:43: note: in expansion of macro ‘XSRETURN’
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___lshift__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:47: note: in expansion of macro ‘XSRETURN’
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:47: note: in expansion of macro ‘XSRETURN’
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:47: note: in expansion of macro ‘XSRETURN’
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:47: note: in expansion of macro ‘XSRETURN’
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBConversion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:47: note: in expansion of macro ‘XSRETURN’
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:47: note: in expansion of macro ‘XSRETURN’
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:47: note: in expansion of macro ‘XSRETURN’
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:47: note: in expansion of macro ‘XSRETURN’
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:47: note: in expansion of macro ‘XSRETURN’
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:47: note: in expansion of macro ‘XSRETURN’
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:47: note: in expansion of macro ‘XSRETURN’
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:47: note: in expansion of macro ‘XSRETURN’
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:47: note: in expansion of macro ‘XSRETURN’
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:47: note: in expansion of macro ‘XSRETURN’
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:47: note: in expansion of macro ‘XSRETURN’
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RemoveOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:47: note: in expansion of macro ‘XSRETURN’
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterOptionParam(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_CopyOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Convert(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetFirstInput(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOneObjectOnly(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Write(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_WriteString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Read(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_ReportNumberConverted(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:43: note: in expansion of macro ‘XSRETURN’
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:43: note: in expansion of macro ‘XSRETURN’
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBInternalCoord(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:47: note: in expansion of macro ‘XSRETURN’
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:43: note: in expansion of macro ‘XSRETURN’
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:47: note: in expansion of macro ‘XSRETURN’
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_EndModify(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NumRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:47: note: in expansion of macro ‘XSRETURN’
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:47: note: in expansion of macro ‘XSRETURN’
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetMolWt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetExactMass(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:47: note: in expansion of macro ‘XSRETURN’
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAromaticPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetLSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingAtomsAndBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAtomTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChainsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChiralityPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPartialChargesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHybridizationPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetClosureBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHydrogensAdded(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetCorrectedForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSpinMultiplicityAssigned(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsPatternStructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsReaction(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPeriodicMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_RenumberAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_ToInertialFrame(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Rotate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddNewHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_StripSalts(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Separate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CopySubstructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CorrectForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AssignSpinMultiplicity(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Center(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_FindChildren(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Has2D(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetEnergy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:47: note: in expansion of macro ‘XSRETURN’
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_NewExtension(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:47: note: in expansion of macro ‘XSRETURN’
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing__path_set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |     ^~
In file included from /usr/lib64/perl5/CORE/perl.h:6194:
/usr/lib64/perl5/CORE/embedvar.h:285:49: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  285 | # define PL_stack_base                          (vTHX->Istack_base)
      |                                                 ^
/usr/lib64/perl5/CORE/XSUB.h:117:17: note: in expansion of macro ‘PL_stack_base’
  117 | #define ST(off) PL_stack_base[ax + (off)]
      |                 ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:38: note: in expansion of macro ‘ST’
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:47: note: in expansion of macro ‘XSRETURN’
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:47: note: in expansion of macro ‘XSRETURN’
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:43: note: in expansion of macro ‘XSRETURN’
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_RestrictedMatch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsMatcher_match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSSMatch_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:43: note: in expansion of macro ‘XSRETURN’
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:47: note: in expansion of macro ‘XSRETURN’
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_GetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:47: note: in expansion of macro ‘XSRETURN’
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:47: note: in expansion of macro ‘XSRETURN’
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:47: note: in expansion of macro ‘XSRETURN’
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Predict(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_PredictAndSave(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetStringValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Compare(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:47: note: in expansion of macro ‘XSRETURN’
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Order(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_AddProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:43: note: in expansion of macro ‘XSRETURN’
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_DeleteProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:43: note: in expansion of macro ‘XSRETURN’
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetValues(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:43: note: in expansion of macro ‘XSRETURN’
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:47: note: in expansion of macro ‘XSRETURN’
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:43: note: in expansion of macro ‘XSRETURN’
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:47: note: in expansion of macro ‘XSRETURN’
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SetParameterFile(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:43: note: in expansion of macro ‘XSRETURN’
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGrid(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:47: note: in expansion of macro ‘XSRETURN’
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGradient(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Energy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Bond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Angle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_StrBnd(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Torsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_OOP(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_VDW(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Electrostatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:47: note: in expansion of macro ‘XSRETURN’
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_WeightedRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_LineSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescent(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescentInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradients(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradientsInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_MolecularDynamicsTakeNSteps(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorAngleDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorOOPDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorTorsionDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Build(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_GetNewBondVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Connect(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_CorrectStereoAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:47: note: in expansion of macro ‘XSRETURN’
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:47: note: in expansion of macro ‘XSRETURN’
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:47: note: in expansion of macro ‘XSRETURN’
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:47: note: in expansion of macro ‘XSRETURN’
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRotorRule(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:47: note: in expansion of macro ‘XSRETURN’
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_GetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_FindRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_AddRotamer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_SetBaseCoordinateSets(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:47: note: in expansion of macro ‘XSRETURN’
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:43: note: in expansion of macro ‘XSRETURN’
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:47: note: in expansion of macro ‘XSRETURN’
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:47: note: in expansion of macro ‘XSRETURN’
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:43: note: in expansion of macro ‘XSRETURN’
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:47: note: in expansion of macro ‘XSRETURN’
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:43: note: in expansion of macro ‘XSRETURN’
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:43: note: in expansion of macro ‘XSRETURN’
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:47: note: in expansion of macro ‘XSRETURN’
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomDFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:47: note: in expansion of macro ‘XSRETURN’
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:43: note: in expansion of macro ‘XSRETURN’
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:47: note: in expansion of macro ‘XSRETURN’
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:47: note: in expansion of macro ‘XSRETURN’
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:43: note: in expansion of macro ‘XSRETURN’
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:47: note: in expansion of macro ‘XSRETURN’
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:43: note: in expansion of macro ‘XSRETURN’
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:43: note: in expansion of macro ‘XSRETURN’
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:47: note: in expansion of macro ‘XSRETURN’
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:47: note: in expansion of macro ‘XSRETURN’
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:43: note: in expansion of macro ‘XSRETURN’
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:47: note: in expansion of macro ‘XSRETURN’
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:47: note: in expansion of macro ‘XSRETURN’
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:43: note: in expansion of macro ‘XSRETURN’
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:47: note: in expansion of macro ‘XSRETURN’
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:43: note: in expansion of macro ‘XSRETURN’
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:43: note: in expansion of macro ‘XSRETURN’
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:47: note: in expansion of macro ‘XSRETURN’
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMolBondBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:47: note: in expansion of macro ‘XSRETURN’
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:43: note: in expansion of macro ‘XSRETURN’
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:47: note: in expansion of macro ‘XSRETURN’
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:43: note: in expansion of macro ‘XSRETURN’
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:43: note: in expansion of macro ‘XSRETURN’
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:47: note: in expansion of macro ‘XSRETURN’
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:47: note: in expansion of macro ‘XSRETURN’
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:43: note: in expansion of macro ‘XSRETURN’
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:47: note: in expansion of macro ‘XSRETURN’
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:43: note: in expansion of macro ‘XSRETURN’
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:43: note: in expansion of macro ‘XSRETURN’
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:47: note: in expansion of macro ‘XSRETURN’
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:47: note: in expansion of macro ‘XSRETURN’
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:43: note: in expansion of macro ‘XSRETURN’
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:47: note: in expansion of macro ‘XSRETURN’
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:47: note: in expansion of macro ‘XSRETURN’
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:43: note: in expansion of macro ‘XSRETURN’
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:47: note: in expansion of macro ‘XSRETURN’
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:43: note: in expansion of macro ‘XSRETURN’
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:43: note: in expansion of macro ‘XSRETURN’
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:47: note: in expansion of macro ‘XSRETURN’
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:47: note: in expansion of macro ‘XSRETURN’
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:43: note: in expansion of macro ‘XSRETURN’
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:47: note: in expansion of macro ‘XSRETURN’
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:43: note: in expansion of macro ‘XSRETURN’
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:43: note: in expansion of macro ‘XSRETURN’
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:47: note: in expansion of macro ‘XSRETURN’
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBResidueIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:43: note: in expansion of macro ‘XSRETURN’
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:43: note: in expansion of macro ‘XSRETURN’
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:47: note: in expansion of macro ‘XSRETURN’
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:43: note: in expansion of macro ‘XSRETURN’
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:47: note: in expansion of macro ‘XSRETURN’
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:43: note: in expansion of macro ‘XSRETURN’
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:43: note: in expansion of macro ‘XSRETURN’
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:47: note: in expansion of macro ‘XSRETURN’
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBResidueAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:47: note: in expansion of macro ‘XSRETURN’
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:43: note: in expansion of macro ‘XSRETURN’
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:47: note: in expansion of macro ‘XSRETURN’
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:47: note: in expansion of macro ‘XSRETURN’
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:43: note: in expansion of macro ‘XSRETURN’
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:47: note: in expansion of macro ‘XSRETURN’
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:43: note: in expansion of macro ‘XSRETURN’
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:43: note: in expansion of macro ‘XSRETURN’
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:47: note: in expansion of macro ‘XSRETURN’
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAngleIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolTorsionIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolPairIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolRingIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:47: note: in expansion of macro ‘XSRETURN’
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41476:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
41476 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_ruby_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -MF CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o.d -o CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2207:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2208:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2215:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2220:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2190:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8665:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8665 | SWIGINTERN VALUE _wrap_ConstIterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8692:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8692 | SWIGINTERN VALUE _wrap_ConstIterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8830:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8830 | SWIGINTERN VALUE _wrap_Iterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8854:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8854 | SWIGINTERN VALUE _wrap_Iterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9234:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9234 | SWIGINTERN VALUE _wrap_VectorInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9708:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9708 | SWIGINTERN VALUE _wrap_VectorUnsignedInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10213:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10213 | SWIGINTERN VALUE _wrap_VectorVInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10679:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10679 | SWIGINTERN VALUE _wrap_VectorDouble___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorDouble(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete_2__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11163:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11163 | SWIGINTERN VALUE _wrap_VectorString___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorString(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11663:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11663 | SWIGINTERN VALUE _wrap_VectorVector3___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12137:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12137 | SWIGINTERN VALUE _wrap_VectorOBMol___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12609:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12609 | SWIGINTERN VALUE _wrap_VectorOBBond___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13082:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13082 | SWIGINTERN VALUE _wrap_VectorOBResidue___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13556:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13556 | SWIGINTERN VALUE _wrap_VectorOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14027:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14027 | SWIGINTERN VALUE _wrap_VectorpOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorpOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14506:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14506 | SWIGINTERN VALUE _wrap_VectorpOBGenericData___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_from_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_to_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_set_res_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15305:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15305 | SWIGINTERN VALUE _wrap_OBResidueData_lookup_bo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSqrtTbl(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15430:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15430 | SWIGINTERN VALUE _wrap_new_OBSqrtTbl(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Vector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15622:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15622 | SWIGINTERN VALUE _wrap_Vector3_begin(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15646:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15646 | SWIGINTERN VALUE _wrap_Vector3_end(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15674:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15674 | SWIGINTERN VALUE _wrap_Vector3_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_add(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_x(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15862:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15862 | SWIGINTERN VALUE _wrap_Vector3_x(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_y(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15875:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15875 | SWIGINTERN VALUE _wrap_Vector3_y(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_z(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15888:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15888 | SWIGINTERN VALUE _wrap_Vector3_z(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Matrix3x3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Matrix3x3___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16392:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16392 | SWIGINTERN VALUE _wrap_Matrix3x3___call__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___mul__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBBitVec(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_first_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16805:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16805 | SWIGINTERN VALUE _wrap_OBBitVec_first_bit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_from_vec_int(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___sub__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGenericData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17261:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17261 | SWIGINTERN VALUE _wrap_new_OBGenericData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGenericData_set_attribute(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17405:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17405 | SWIGINTERN VALUE _wrap_OBBase_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBCommentData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17691:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17691 | SWIGINTERN VALUE _wrap_new_OBCommentData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBExternalBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17784:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17784 | SWIGINTERN VALUE _wrap_new_OBExternalBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBVirtualBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18121:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18121 | SWIGINTERN VALUE _wrap_new_OBVirtualBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRingData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18193:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18193 | SWIGINTERN VALUE _wrap_new_OBRingData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBUnitCell(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18314:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18314 | SWIGINTERN VALUE _wrap_new_OBUnitCell(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18383:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18383 | SWIGINTERN VALUE _wrap_OBUnitCell_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_a(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18481:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18481 | SWIGINTERN VALUE _wrap_OBUnitCell_get_a(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_b(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18502:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18502 | SWIGINTERN VALUE _wrap_OBUnitCell_get_b(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_c(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18523:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18523 | SWIGINTERN VALUE _wrap_OBUnitCell_get_c(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_alpha(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18545:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18545 | SWIGINTERN VALUE _wrap_OBUnitCell_get_alpha(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_beta(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18567:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18567 | SWIGINTERN VALUE _wrap_OBUnitCell_get_beta(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_gamma(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18590:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18590 | SWIGINTERN VALUE _wrap_OBUnitCell_get_gamma(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_offset(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18614:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18614 | SWIGINTERN VALUE _wrap_OBUnitCell_get_offset(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18639:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18639 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18663:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18663 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_name(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_lattice_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18709:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18709 | SWIGINTERN VALUE _wrap_OBUnitCell_get_lattice_type(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_vectors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18738:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18738 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_vectors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18763:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18763 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_ortho_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18787:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18787 | SWIGINTERN VALUE _wrap_OBUnitCell_get_ortho_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_orientation_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18813:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18813 | SWIGINTERN VALUE _wrap_OBUnitCell_get_orientation_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_fractional_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18839:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18839 | SWIGINTERN VALUE _wrap_OBUnitCell_get_fractional_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_fractional_to_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18876:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18876 | SWIGINTERN VALUE _wrap_OBUnitCell_fractional_to_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_cartesian_to_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18913:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18913 | SWIGINTERN VALUE _wrap_OBUnitCell_cartesian_to_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18950:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18950 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18987:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18987 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19036:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19036 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_fractional_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19086:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19086 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_fractional_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19124:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19124 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19161:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19161 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_number(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19206:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19206 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_number(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_volume(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19233:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19233 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_volume(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConformerData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19266:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19266 | SWIGINTERN VALUE _wrap_new_OBConformerData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSymmetryData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19448:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19448 | SWIGINTERN VALUE _wrap_new_OBSymmetryData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSymmetryData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19482:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19482 | SWIGINTERN VALUE _wrap_OBSymmetryData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBTorsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19548:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19548 | SWIGINTERN VALUE _wrap_new_OBTorsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_add_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19611:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19611 | SWIGINTERN VALUE _wrap_OBTorsion_add_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_set_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19643:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19643 | SWIGINTERN VALUE _wrap_OBTorsion_set_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19687:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19687 | SWIGINTERN VALUE _wrap_OBTorsion_get_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAngle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19819:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19819 | SWIGINTERN VALUE _wrap_new_OBAngle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngle_set_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19904:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19904 | SWIGINTERN VALUE _wrap_OBAngle_set_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngleData_fill_angle_array(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19954:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19954 | SWIGINTERN VALUE _wrap_OBAngleData_fill_angle_array(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSerialNums(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20014:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20014 | SWIGINTERN VALUE _wrap_new_OBSerialNums(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20142:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20142 | SWIGINTERN VALUE _wrap_OBVibrationData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDOSData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbital_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20328:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20328 | SWIGINTERN VALUE _wrap_OBOrbital_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbitalData_set_homo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20455:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20455 | SWIGINTERN VALUE _wrap_OBOrbitalData_set_homo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_edipole(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_velocity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVectorData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20827:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20827 | SWIGINTERN VALUE _wrap_OBVectorData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBFreeGridPoint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20919:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20919 | SWIGINTERN VALUE _wrap_new_OBFreeGridPoint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_axes(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_number_of_points(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21290:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21290 | SWIGINTERN VALUE _wrap_OBGridData_get_number_of_points(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21345:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21345 | SWIGINTERN VALUE _wrap_OBGridData_get_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_origin_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21398:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21398 | SWIGINTERN VALUE _wrap_OBGridData_get_origin_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_limits(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_values(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Dummy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21584:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21584 |   std::binary_function< char const *,char const *,bool > *result = 0 ; if ((argc < 0) || (argc > 0)) {
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void free_std_binary_function_Sl_char_SS_const_Sm__Sc_char_SS_const_Sm__Sc_bool_Sg_(void*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_CharPtrLess___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21696:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21696 | SWIGINTERN VALUE _wrap_OBPlugin_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_make_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_get_plugin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21795:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21795 | SWIGINTERN VALUE _wrap_OBPlugin_list(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21823:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21823 | SWIGINTERN VALUE _wrap_OBPlugin_list_as_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_5(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22043:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22043 | SWIGINTERN VALUE _wrap_new_OBError(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___lshift__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22655:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22655 | SWIGINTERN VALUE _wrap_OBFormat_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22701:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22701 | SWIGINTERN VALUE _wrap_OBFormat_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConversion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22836:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22836 | SWIGINTERN VALUE _wrap_OBConversion_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_find_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22982:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22982 | SWIGINTERN VALUE _wrap_OBConversion_set_in_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23011:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23011 | SWIGINTERN VALUE _wrap_OBConversion_set_out_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23405:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23405 | SWIGINTERN VALUE _wrap_OBConversion_is_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23470:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23470 | SWIGINTERN VALUE _wrap_OBConversion_add_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_remove_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_option_param(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23545:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23545 | SWIGINTERN VALUE _wrap_OBConversion_register_option_param(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_copy_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23589:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23589 | SWIGINTERN VALUE _wrap_OBConversion_copy_options(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_convert(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23637:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23637 | SWIGINTERN VALUE _wrap_OBConversion_convert(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_first_input(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23720:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23720 | SWIGINTERN VALUE _wrap_OBConversion_set_first_input(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_one_object_only(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23765:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23765 | SWIGINTERN VALUE _wrap_OBConversion_set_one_object_only(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23829:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23829 | SWIGINTERN VALUE _wrap_OBConversion_write(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23861:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23861 | SWIGINTERN VALUE _wrap_OBConversion_write_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_read(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23914:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23914 | SWIGINTERN VALUE _wrap_OBConversion_read(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_report_number_converted(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23988:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23988 | SWIGINTERN VALUE _wrap_OBConversion_report_number_converted(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24029:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24029 | SWIGINTERN VALUE _wrap_new_OBResidue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_atom_id(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24282:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24282 | SWIGINTERN VALUE _wrap_OBResidue_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBInternalCoord(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24655:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24655 | SWIGINTERN VALUE _wrap_new_OBInternalCoord(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24714:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24714 | SWIGINTERN VALUE _wrap_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25481:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25481 | SWIGINTERN VALUE _wrap_OBAtom_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25523:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25523 | SWIGINTERN VALUE _wrap_OBAtom_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25543:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25543 | SWIGINTERN VALUE _wrap_OBAtom_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25778:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25778 | SWIGINTERN VALUE _wrap_OBAtom_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26114:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26114 | SWIGINTERN VALUE _wrap_OBAtom_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26389:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26389 | SWIGINTERN VALUE _wrap_OBAtom_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26574:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26574 | SWIGINTERN VALUE _wrap_OBBond_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26615:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26615 | SWIGINTERN VALUE _wrap_OBBond_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26635:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26635 | SWIGINTERN VALUE _wrap_OBBond_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26654:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26654 | SWIGINTERN VALUE _wrap_OBBond_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26673:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26673 | SWIGINTERN VALUE _wrap_OBBond_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26693:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26693 | SWIGINTERN VALUE _wrap_OBBond_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26713:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26713 | SWIGINTERN VALUE _wrap_OBBond_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26786:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26786 | SWIGINTERN VALUE _wrap_OBBond_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26811:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26811 | SWIGINTERN VALUE _wrap_OBBond_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26904:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26904 | SWIGINTERN VALUE _wrap_OBBond_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27026:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27026 | SWIGINTERN VALUE _wrap_new_OBMol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27116:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27116 | SWIGINTERN VALUE _wrap_OBMol_add_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27198:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27198 | SWIGINTERN VALUE _wrap_OBMol_add_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27242:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27242 | SWIGINTERN VALUE _wrap_OBMol_new_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27268:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27268 | SWIGINTERN VALUE _wrap_OBMol_new_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27306:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27306 | SWIGINTERN VALUE _wrap_OBMol_delete_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27338:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27338 | SWIGINTERN VALUE _wrap_OBMol_delete_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_residue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27370:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27370 | SWIGINTERN VALUE _wrap_OBMol_delete_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_end_modify(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27397:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27397 | SWIGINTERN VALUE _wrap_OBMol_end_modify(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27445:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27445 | SWIGINTERN VALUE _wrap_OBMol_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_num_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27495:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27495 | SWIGINTERN VALUE _wrap_OBMol_num_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_spaced_formula(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27755:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27755 | SWIGINTERN VALUE _wrap_OBMol_get_spaced_formula(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_mol_wt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27789:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27789 | SWIGINTERN VALUE _wrap_OBMol_get_mol_wt(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27811:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27811 | SWIGINTERN VALUE _wrap_OBMol_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_aromatic_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28000:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28000 | SWIGINTERN VALUE _wrap_OBMol_set_aromatic_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_sssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28020:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28020 | SWIGINTERN VALUE _wrap_OBMol_set_sssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_lssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28040 | SWIGINTERN VALUE _wrap_OBMol_set_lssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28061:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28061 | SWIGINTERN VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_atom_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28082:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28082 | SWIGINTERN VALUE _wrap_OBMol_set_atom_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28102:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28102 | SWIGINTERN VALUE _wrap_OBMol_set_ring_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chains_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28122:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28122 | SWIGINTERN VALUE _wrap_OBMol_set_chains_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chirality_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28142:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28142 | SWIGINTERN VALUE _wrap_OBMol_set_chirality_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_partial_charges_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28162:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28162 | SWIGINTERN VALUE _wrap_OBMol_set_partial_charges_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hybridization_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28183:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28183 | SWIGINTERN VALUE _wrap_OBMol_set_hybridization_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_closure_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28203:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28203 | SWIGINTERN VALUE _wrap_OBMol_set_closure_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hydrogens_added(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28223:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28223 | SWIGINTERN VALUE _wrap_OBMol_set_hydrogens_added(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_corrected_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28243:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28243 | SWIGINTERN VALUE _wrap_OBMol_set_corrected_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28263:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28263 | SWIGINTERN VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_pattern_structure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28284:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28284 | SWIGINTERN VALUE _wrap_OBMol_set_is_pattern_structure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_reaction(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28304:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28304 | SWIGINTERN VALUE _wrap_OBMol_set_is_reaction(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_periodic_mol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28324:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28324 | SWIGINTERN VALUE _wrap_OBMol_set_periodic_mol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_to_inertial_frame(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28429:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28429 | SWIGINTERN VALUE _wrap_OBMol_to_inertial_frame(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_translate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28462:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28462 | SWIGINTERN VALUE _wrap_OBMol_translate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28532:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28532 | SWIGINTERN VALUE _wrap_OBMol_delete_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_new_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28680:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28680 | SWIGINTERN VALUE _wrap_OBMol_add_new_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_strip_salts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28707:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28707 | SWIGINTERN VALUE _wrap_OBMol_strip_salts(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_separate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28733:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28733 | SWIGINTERN VALUE _wrap_OBMol_separate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_copy_substructure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28885:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28885 | SWIGINTERN VALUE _wrap_OBMol_copy_substructure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28936:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28936 | SWIGINTERN VALUE _wrap_OBMol_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_assign_spin_multiplicity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28959:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28959 | SWIGINTERN VALUE _wrap_OBMol_assign_spin_multiplicity(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_center(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28986:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28986 | SWIGINTERN VALUE _wrap_OBMol_center(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_find_children(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_has_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29213:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29213 | SWIGINTERN VALUE _wrap_OBMol_has_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29451:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29451 | SWIGINTERN VALUE _wrap_OBMol_get_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_throw_error(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSmartsPattern(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30280:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30280 | SWIGINTERN VALUE _wrap_new_OBSmartsPattern(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsMatcher_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30764:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30764 | SWIGINTERN VALUE _wrap_OBSmartsMatcher_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSSMatch_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30837:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30837 | SWIGINTERN VALUE _wrap_OBSSMatch_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_get_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30928:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30928 | SWIGINTERN VALUE _wrap_AliasData_get_alias(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31102:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31102 | SWIGINTERN VALUE _wrap_OBFingerprint_get_fingerprint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_fpid_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_datafilename_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_FastSearchIndexer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31700:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31700 | SWIGINTERN VALUE _wrap_new_OBDescriptor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31740:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31740 | SWIGINTERN VALUE _wrap_OBDescriptor_predict(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict_and_save(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31773:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31773 | SWIGINTERN VALUE _wrap_OBDescriptor_predict_and_save(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_get_string_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31817:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31817 | SWIGINTERN VALUE _wrap_OBDescriptor_get_string_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_compare(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31866:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31866 | SWIGINTERN VALUE _wrap_OBDescriptor_compare(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31912:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31912 | SWIGINTERN VALUE _wrap_OBDescriptor_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_order(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_add_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_delete_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__a_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__b_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__c_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__d_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__ipar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__dpar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33470:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33470 | SWIGINTERN VALUE _wrap_OBForceField_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_grid(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_gradient(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33864:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33864 | SWIGINTERN VALUE _wrap_OBForceField_get_gradient(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33898:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33898 | SWIGINTERN VALUE _wrap_OBForceField_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33923:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33923 | SWIGINTERN VALUE _wrap_OBForceField_e_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33948:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33948 | SWIGINTERN VALUE _wrap_OBForceField_e_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_str_bnd(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33973:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33973 | SWIGINTERN VALUE _wrap_OBForceField_e_str_bnd(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33998:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33998 | SWIGINTERN VALUE _wrap_OBForceField_e_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_oop(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34023:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34023 | SWIGINTERN VALUE _wrap_OBForceField_e_oop(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_vdw(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34048:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34048 | SWIGINTERN VALUE _wrap_OBForceField_e_vdw(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_electrostatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34073:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34073 | SWIGINTERN VALUE _wrap_OBForceField_e_electrostatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_obfflog(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34195:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34195 | SWIGINTERN VALUE _wrap_OBForceField_systematic_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34237:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34237 |   VALUE argv[4]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 4) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34266:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34266 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34309:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34309 | SWIGINTERN VALUE _wrap_OBForceField_random_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34355:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34355 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34384:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34384 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_weighted_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34417:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34417 | SWIGINTERN VALUE _wrap_OBForceField_weighted_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_line_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34545:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34545 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34596:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34596 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent_initialize(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34653:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34653 | SWIGINTERN VALUE _wrap_OBForceField_conjugate_gradients(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34705:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34705 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_molecular_dynamics_take_nsteps(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34783:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34783 |   VALUE argv[6]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 6) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_ignore_calculation(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34880:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34880 | SWIGINTERN VALUE _wrap_OBForceField_ignore_calculation(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_angle_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35069:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35069 | SWIGINTERN VALUE _wrap_OBForceField_vector_angle_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_oopderivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35137:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35137 | SWIGINTERN VALUE _wrap_OBForceField_vector_oopderivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_torsion_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35205:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35205 | SWIGINTERN VALUE _wrap_OBForceField_vector_torsion_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_build(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35437:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35437 | SWIGINTERN VALUE _wrap_OBBuilder_build(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_add_ring_fragment(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_get_new_bond_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35513:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35513 | SWIGINTERN VALUE _wrap_OBBuilder_get_new_bond_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_connect(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_correct_stereo_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35649:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35649 | SWIGINTERN VALUE _wrap_OBBuilder_correct_stereo_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35782:86: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35782 | SWIGINTERN VALUE _wrap_OBOp_do(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs + 1;
      |                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRotorRule(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36176:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36176 | SWIGINTERN VALUE _wrap_OBRotor_set_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36249:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36249 | SWIGINTERN VALUE _wrap_OBRotor_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_get_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36300:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36300 | SWIGINTERN VALUE _wrap_OBRotor_get_dihedral_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36559:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36559 | SWIGINTERN VALUE _wrap_OBRotorList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_find_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36636:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36636 | SWIGINTERN VALUE _wrap_OBRotorList_find_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_RotorDigit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36793:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36793 | SWIGINTERN VALUE _wrap_new_RotorDigit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36973:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36973 | SWIGINTERN VALUE _wrap_OBRotamerList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_add_rotamer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37179:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37179 | SWIGINTERN VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37294:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37294 | SWIGINTERN VALUE _wrap_OBMolAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37514:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37514 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37567:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37567 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37588:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37588 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37826:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37826 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38167:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38167 | SWIGINTERN VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38465:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38465 | SWIGINTERN VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38600:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38600 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomDFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38946:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38946 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39170:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39170 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39224:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39224 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39246:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39246 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39484:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39484 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39825:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39825 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40123:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40123 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40258:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40258 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40604:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40604 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40828:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40828 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40882:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40882 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40904:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40904 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41142:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41142 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41483:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41483 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41781:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41781 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41916:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41916 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42262:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42262 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42395:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42395 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42439:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42439 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42461:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42461 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42483:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42483 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42505:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42505 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42527:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42527 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42549:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42549 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42621:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42621 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42645:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42645 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42743:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42743 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42908:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42908 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43238:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43238 | SWIGINTERN VALUE _wrap_OBMolBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43360:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43360 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43403:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43403 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43424:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43424 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43445:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43445 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43466:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43466 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43487:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43487 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43508:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43508 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43580:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43580 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43604:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43604 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43702:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43702 | SWIGINTERN VALUE _wrap_OBMolBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43867:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43867 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44200:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44200 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44413:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44413 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44466:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44466 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44487:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44487 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44725:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44725 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45066:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45066 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45364:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45364 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45499:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45499 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45832:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45832 | SWIGINTERN VALUE _wrap_OBAtomBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45955:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45955 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45998:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45998 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46019:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46019 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46040 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46061:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46061 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46082:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46082 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46103:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46103 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46175:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46175 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46199:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46199 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46297:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46297 | SWIGINTERN VALUE _wrap_OBAtomBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46462:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46462 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46792:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46792 | SWIGINTERN VALUE _wrap_OBResidueIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47061:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47061 | SWIGINTERN VALUE _wrap_OBResidueIter_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47265:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47265 | SWIGINTERN VALUE _wrap_OBResidueIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47601:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47601 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47820:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47820 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47874:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47874 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47896:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47896 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48134:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48134 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48476:120: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48476 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48774:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48774 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48909:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48909 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAngleIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolTorsionIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolPairIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolRingIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49472:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49472 | SWIGINTERN VALUE _wrap_OBMolRingIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49751:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49751 | SWIGINTERN VALUE _wrap_new_OBChargeModel(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49797:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49797 | SWIGINTERN VALUE _wrap_OBChargeModel_compute_charges(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPhModel_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49972:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49972 | SWIGINTERN VALUE _wrap_OBPhModel_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGraphSym(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50011:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50011 | SWIGINTERN VALUE _wrap_new_OBGraphSym(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50079:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50079 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_get_instance(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_first(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50128:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50128 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_first(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_unique(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50178:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50178 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_unique(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_all(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50256:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50256 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_all(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_generic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50306:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50306 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_generic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_6(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_7(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryAtom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50628:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50628 | SWIGINTERN VALUE _wrap_new_OBQueryAtom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50740:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50740 | SWIGINTERN VALUE _wrap_new_OBQueryBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                 make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_molecule_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50914:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50914 | SWIGINTERN VALUE _wrap_compile_molecule_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50947:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50947 | SWIGINTERN VALUE _wrap_compile_smiles_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51061:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51061 | SWIGINTERN VALUE _wrap_canonical_labels(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBStereo_make_refs(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51110:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51110 | SWIGINTERN VALUE _wrap_OBStereo_make_refs(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoUnit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51254:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51254 | SWIGINTERN VALUE _wrap_new_OBStereoUnit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoFacade(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51395:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51395 | SWIGINTERN VALUE _wrap_new_OBStereoFacade(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_perceive_stereo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51544:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51544 | SWIGINTERN VALUE _wrap_perceive_stereo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51586:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51586 | SWIGINTERN VALUE _wrap_stereo_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51608:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51608 | SWIGINTERN VALUE _wrap_stereo_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51659:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51659 | SWIGINTERN VALUE _wrap_tetrahedral_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51706:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51706 | SWIGINTERN VALUE _wrap_tetrahedral_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51753:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51753 | SWIGINTERN VALUE _wrap_tetrahedral_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51800:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51800 | SWIGINTERN VALUE _wrap_cis_trans_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51878:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51878 | SWIGINTERN VALUE _wrap_cis_trans_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51992:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51992 | SWIGINTERN VALUE _wrap_cis_trans_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52042:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
52042 | SWIGINTERN VALUE _wrap_find_stereogenic_units(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:53298:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
53298 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Linking CXX shared module /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_python.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_python.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so "CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o"  -lpython3.13 ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[100%] Built target bindings_python
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_ruby.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_ruby.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/openbabel.so "CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o"  -lruby ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Linking CXX shared module ../lib64/OpenBabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_perl.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_perl.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/OpenBabel.so "CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o"  -lperl ../lib64/libopenbabel.so.7.0.0 -lpthread -lresolv -ldl -lm -lcrypt -lutil -lc -lm -ldl -lz
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make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/CMakeFiles 0
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.JtXnqE
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ '[' /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT '!=' / ']'
+ rm -rf /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
++ dirname /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ mkdir /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/make install DESTDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT 'INSTALL=/usr/bin/install -p' -C x86_64-redhat-linux-gnu
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/cmake -S/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 -B/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/CMakeFiles /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu//CMakeFiles/progress.marks
/usr/bin/make  -f CMakeFiles/Makefile2 all
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/openbabel.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 14%] Built target openbabel
/usr/bin/make  -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_descriptors.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Built target plugin_descriptors
/usr/bin/make  -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_fingerprints.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Built target plugin_fingerprints
/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_forcefields.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Built target plugin_forcefields
/usr/bin/make  -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_ops.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 23%] Built target plugin_ops
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_charges.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target plugin_charges
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smilesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target smilesformat
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target mdlformat
/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mol2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target mol2format
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Built target pdbformat
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/inchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Built target inchiformat
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 28%] Built target asciiformat
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/copyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target copyformat
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target MNAformat
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target molreport
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nulformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Built target nulformat
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 31%] Built target painterformat
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/povrayformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target povrayformat
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/reportformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target reportformat
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/svgformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target svgformat
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/textformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 33%] Built target textformat
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target titleformat
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target confabreport
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pngformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target pngformat
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target acesformat
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/abinitformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target abinitformat
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/adfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target adfformat
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target aoforceformat
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Built target castepformat
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crystal09format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target crystal09format
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target daltonformat
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target dmolformat
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Built target fchkformat
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhiaimsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Built target fhiaimsformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Built target gamessformat
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gaussformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gaussformat
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausscubeformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gausscubeformat
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gausszmatformat
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target gulpformat
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target hinformat
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target jaguarformat
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molproformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target molproformat
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target mopacformat
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nwchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target nwchemformat
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Built target pwscfformat
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Built target qchemformat
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target siestaformat
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target turbomoleformat
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target vaspformat
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target xsfformat
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target zindoformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessukformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target gamessukformat
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target orcaformat
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/APIInterface.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target APIInterface
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target CSRformat
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 46%] Built target PQSformat
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Built target MCDLformat
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 48%] Built target alchemyformat
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target acrformat
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target amberformat
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/balstformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target balstformat
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/bgfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target bgfformat
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target boxformat
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacaoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target cacaoformat
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacheformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cacheformat
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target carformat
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cccformat
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chem3dformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemdrawct
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemtoolformat
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cifformat
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cofformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cofformat
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target crkformat
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cssrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cssrformat
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dlpolyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Built target dlpolyformat
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/exyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target exyzformat
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target fastsearchformat
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target fastaformat
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/featformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target featformat
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target fhformat
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target fingerprintformat
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target fpsformat
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target freefracformat
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/ghemicalformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target ghemicalformat
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target gromos96format
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target groformat
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target lmpdatformat
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target lpmdformat
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdffformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 58%] Built target mdffformat
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 58%] Built target mmcifformat
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Built target mmodformat
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Built target moldenformat
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Built target mpdformat
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target mpqcformat
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target msiformat
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target msmsformat
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target opendxformat
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target outformat
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pdbqtformat
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pointcloudformat
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target posformat
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pqrformat
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target shelxformat
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target smileyformat
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target stlformat
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target thermoformat
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target tinkerformat
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target unichemformat
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target viewmolformat
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/wlnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Built target wlnformat
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Built target xedformat
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target xyzformat
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target yasaraformat
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target rxnformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Built target chemdrawcdx
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Built target chemkinformat
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rinchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Built target rinchiformat
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rsmiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Built target rsmiformat
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Built target png2format
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 71%] Built target cdxmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 72%] Built target cmlformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchem.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 73%] Built target pubchem
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Built target xmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target cmlreactformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdoodlejsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target chemdoodlejsonformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchemjsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target pubchemjsonformat
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obabel.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Built target obabel
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obconformer.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Built target obconformer
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 83%] Built target obdistgen
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 83%] Built target obgrep
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 83%] Built target obspectrophore
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 83%] Built target obrms
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
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[ 84%] Built target obgui
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 97%] Built target test_runner
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 98%] Built target test_inchiwrite
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 98%] Built target roundtrip
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 99%] Built target bindings_python
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Built target bindings_perl
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[100%] Built target bindings_ruby
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/CMakeFiles 0
/usr/bin/make  -f CMakeFiles/Makefile2 preinstall
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
Install the project...
/usr/bin/cmake -P cmake_install.cmake
-- Install configuration: "Release"
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/babelconfig.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/pkgconfig/openbabel-3.pc
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3Config.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chemdrawcdx.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/alias.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/atom.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/base.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bitvec.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bond.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bondtyper.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/builder.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/canon.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chains.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chargemodel.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/conformersearch.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/data.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/data_utilities.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/descriptor.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/distgeom.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/dlhandler.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/elements.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/fingerprint.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/forcefield.h
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/aoforceformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/castepformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/crystal09format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/daltonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/dmolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fchkformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fhiaimsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gamessformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gaussformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gausscubeformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gausszmatformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gulpformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/hinformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/jaguarformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/molproformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mopacformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/nwchemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pwscfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/qchemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/siestaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/turbomoleformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/vaspformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xsfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/zindoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gamessukformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/orcaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/APIInterface.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/CSRformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/PQSformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/MCDLformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/alchemyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/acrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/amberformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/balstformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/bgfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/boxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cacaoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cacheformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/carformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cccformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chem3dformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawct.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemtoolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cofformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/crkformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cssrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/dlpolyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/exyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastsearchformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/featformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fhformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fingerprintformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fpsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/freefracformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/ghemicalformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gromos96format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/groformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lmpdatformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lpmdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mdffformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmcifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmodformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/moldenformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpqcformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msmsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/opendxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/outformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pcmodelformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pdbqtformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pointcloudformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/posformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pqrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/shelxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/smileyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/stlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/thermoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/tinkerformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/unichemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/viewmolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/wlnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xedformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/yasaraformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rxnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawcdx.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemkinformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rinchiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rsmiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/png2format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cdxmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchem.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlreactformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdoodlejsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchemjsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obabel
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obconformer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obenergy
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfit
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfitall
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obminimize
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obmm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprobe
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprop
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotamer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotate
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obsym
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obtautomer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obthermo
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obdistgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgrep
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obspectrophore
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrms
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgui
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/roundtrip
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/_openbabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__init__.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/openbabel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/pybel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/auto/Chemistry/OpenBabel/OpenBabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/Chemistry/OpenBabel.pm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/ruby/vendor_ruby/openbabel.so
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
+ rm -f '/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel2/*.cmake'
+ desktop-file-install --dir=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/applications /builddir/build/SOURCES/obgui.desktop
+ install -Dpm644 babel.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/pixmaps/babel.png
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/etc/profile.d
+ cat
+ cat
+ /usr/bin/find-debuginfo -j4 --strict-build-id -m -i --build-id-seed 3.1.1-33.fc42 --unique-debug-suffix -3.1.1-33.fc42.x86_64 --unique-debug-src-base openbabel-3.1.1-33.fc42.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
find-debuginfo: starting
Extracting debug info from 151 files
DWARF-compressing 151 files
sepdebugcrcfix: Updated 151 CRC32s, 0 CRC32s did match.
Creating .debug symlinks for symlinks to ELF files
Copying sources found by 'debugedit -l' to /usr/src/debug/openbabel-3.1.1-33.fc42.x86_64
find-debuginfo: done
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j4
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib/debug/usr/lib64/python3.13 using python3.13
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13 using python3.13
+ /usr/lib/rpm/redhat/brp-python-hardlink
+ /usr/bin/add-determinism --brp -j4 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/pybel.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/openbabel.cpython-313.opt-1.pyc: rewriting with normalized contents
Scanned 92 directories and 890 files,
               processed 3 inodes,
               3 modified (0 replaced + 3 rewritten),
               0 unsupported format, 0 errors
Reading /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS/rpm-debuginfo.specpart
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.Cy99HX
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ rm -f x86_64-redhat-linux-gnu/lib64/openbabel.so
+ export CTEST_OUTPUT_ON_FAILURE=1
+ CTEST_OUTPUT_ON_FAILURE=1
+ export PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ /usr/bin/ctest --test-dir x86_64-redhat-linux-gnu --output-on-failure --force-new-ctest-process -j4 --test-dir x86_64-redhat-linux-gnu -VV -E 'pybindtest_bindings|pybindtest_obconv_writers|test_align_4|test_align_5'
Internal ctest changing into directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
Test project /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu
Constructing a list of tests
Done constructing a list of tests
Updating test list for fixtures
Added 0 tests to meet fixture requirements
Checking test dependency graph...
Checking test dependency graph end
test 1
        Start   1: test_align_1
1: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aligntest" "1"
1: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
1: Environment variables: 
1:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
1:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
1: Test timeout computed to be: 1500
test 2
        Start   2: test_align_2
2: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aligntest" "2"
2: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
2: Environment variables: 
2:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
2:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
2: Test timeout computed to be: 1500
test 3
        Start   3: test_align_3
3: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aligntest" "3"
3: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
3: Environment variables: 
3:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
3:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
3: Test timeout computed to be: 1500
test 4
        Start   4: test_alias_1
4: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aliastest" "1"
4: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
4: Environment variables: 
4:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
4:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
4: Test timeout computed to be: 1500
  1/223 Test   #1: test_align_1 .....................   Passed    0.01 sec
test 5
        Start   5: test_automorphism_1
5: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "1"
5: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
5: Environment variables: 
5:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
5:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
5: Test timeout computed to be: 1500
  2/223 Test   #2: test_align_2 .....................   Passed    0.01 sec
test 6
        Start   6: test_automorphism_2
6: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "2"
6: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
6: Environment variables: 
6:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
6:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
6: Test timeout computed to be: 1500
  3/223 Test   #3: test_align_3 .....................   Passed    0.01 sec
test 7
        Start   7: test_automorphism_3
7: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "3"
7: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
7: Environment variables: 
7:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
7:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
7: Test timeout computed to be: 1500
7: Hao, Xu paper, fig. 2: structure 2
6: Hao, Xu paper, fig. 2: structure 1
5: testAutomorphisms
5: 8
  4/223 Test   #5: test_automorphism_1 ..............   Passed    0.50 sec
test 8
        Start   8: test_automorphism_4
8: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "4"
8: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
8: Environment variables: 
8:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
8:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
8: Test timeout computed to be: 1500
4: 
  5/223 Test   #4: test_alias_1 .....................   Passed    0.52 sec
test 9
        Start   9: test_automorphism_5
9: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "5"
9: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
9: Environment variables: 
9:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
9:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
9: Test timeout computed to be: 1500
  6/223 Test   #6: test_automorphism_2 ..............   Passed    0.51 sec
test 10
        Start  10: test_automorphism_6
10: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "6"
10: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
10: Environment variables: 
10:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
10:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
10: Test timeout computed to be: 1500
  7/223 Test   #7: test_automorphism_3 ..............   Passed    0.51 sec
test 11
        Start  11: test_automorphism_7
11: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "7"
11: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
11: Environment variables: 
11:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
11:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
11: Test timeout computed to be: 1500
8: Hao, Xu paper, fig. 2: structure 3
9: Hao, Xu paper, fig. 2: structure 4
10: Hao, Xu paper, fig. 2: structure 5
11: Hao, Xu paper, fig. 2: structure 6
  8/223 Test   #8: test_automorphism_4 ..............   Passed    0.07 sec
  9/223 Test  #10: test_automorphism_6 ..............   Passed    0.06 sec
test 12
        Start  12: test_automorphism_8
12: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "8"
12: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
12: Environment variables: 
12:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
12:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
12: Test timeout computed to be: 1500
test 13
        Start  13: test_automorphism_9
13: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "9"
13: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
13: Environment variables: 
13:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
13:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
13: Test timeout computed to be: 1500
 10/223 Test   #9: test_automorphism_5 ..............   Passed    0.06 sec
test 14
        Start  14: test_automorphism_10
14: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "10"
14: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
14: Environment variables: 
14:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
14:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
14: Test timeout computed to be: 1500
 11/223 Test  #11: test_automorphism_7 ..............   Passed    0.06 sec
test 15
        Start  15: test_builder_1
15: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "1"
15: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
15: Environment variables: 
15:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
15:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
15: Test timeout computed to be: 1500
15:  Starting forcefield.sdf
12: Hao, Xu paper, fig. 2: structure 7
13: Hao, Xu paper, fig. 2: structure 8
 12/223 Test  #12: test_automorphism_8 ..............   Passed    0.06 sec
test 16
        Start  16: test_builder_2
16: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "2"
16: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
16: Environment variables: 
16:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
16:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
16: Test timeout computed to be: 1500
14: Hao, Xu paper, fig. 2: structure 9
 13/223 Test  #13: test_automorphism_9 ..............   Passed    0.06 sec
 14/223 Test  #14: test_automorphism_10 .............   Passed    0.06 sec
test 17
        Start  17: test_builder_3
17: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "3"
17: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
17: Environment variables: 
17:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
17:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
17: Test timeout computed to be: 1500
test 18
        Start  18: test_builder_4
18: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "4"
18: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
18: Environment variables: 
18:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
18:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
18: Test timeout computed to be: 1500
16:  Starting filterset.sdf
17:  SMILES OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1
18:  SMILES O1C[C@H]2O[C@H]2c2ccc(Oc3c(O)ccc(CCC1=O)c3)cc2
15: 
16: 56
 15/223 Test  #17: test_builder_3 ...................   Passed    0.13 sec
test 19
        Start  19: test_builder_5
19: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "5"
19: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
19: Environment variables: 
19:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
19:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
19: Test timeout computed to be: 1500
19:  SMILES N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O
 16/223 Test  #18: test_builder_4 ...................   Passed    0.14 sec
test 20
        Start  20: test_builder_6
20: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "6"
20: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
20: Environment variables: 
20:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
20:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
20: Test timeout computed to be: 1500
20:  SMILES OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1
16: 137
19: ==============================
19: *** Open Babel Warning  in ParseSmiles
19:   Ignoring stereochemistry. Not enough connections to this atom. 
16: 135
15: /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
16: 134
15: /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
 17/223 Test  #19: test_builder_5 ...................   Passed    0.15 sec
test 21
        Start  21: test_canonconsistent_1
21: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "1"
21: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
21: Environment variables: 
21:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
21:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
21: Test timeout computed to be: 1500
 18/223 Test  #20: test_builder_6 ...................   Passed    0.14 sec
test 22
        Start  22: test_canonconsistent_2
22: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "2"
22: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
22: Environment variables: 
22:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
22:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
22: Test timeout computed to be: 1500
16: 133
15: /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
22: PASSED TESTS: 10/10
 19/223 Test  #22: test_canonconsistent_2 ...........   Passed    0.06 sec
test 23
        Start  23: test_canonconsistent_3
23: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "3"
23: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
23: Environment variables: 
23:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
23:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
23: Test timeout computed to be: 1500
16: 129
23: PASSED TESTS: 20/20
16: 126
 20/223 Test  #23: test_canonconsistent_3 ...........   Passed    0.08 sec
test 24
        Start  24: test_canonfragment_1
24: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonfragmenttest" "1"
24: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
24: Environment variables: 
24:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
24:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
24: Test timeout computed to be: 1500
16: 123
 21/223 Test  #24: test_canonfragment_1 .............   Passed    0.05 sec
test 25
        Start  25: test_canonstable_1
25: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonstabletest" "1"
25: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
25: Environment variables: 
25:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
25:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
25: Test timeout computed to be: 1500
16: Ethanol
16: Dimethyl Ether
 22/223 Test  #16: test_builder_2 ...................   Passed    0.54 sec
test 26
        Start  26: test_carspacegroup_1
26: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "1"
26: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
26: Environment variables: 
26:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
26:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
26: Test timeout computed to be: 1500
21: PASSED TESTS: 18/18
 23/223 Test  #21: test_canonconsistent_1 ...........   Passed    0.28 sec
test 27
        Start  27: test_carspacegroup_2
27: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "2"
27: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
27: Environment variables: 
27:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
27:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
27: Test timeout computed to be: 1500
 24/223 Test  #26: test_carspacegroup_1 .............   Passed    0.06 sec
test 28
        Start  28: test_carspacegroup_3
28: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "3"
28: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
28: Environment variables: 
28:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
28:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
28: Test timeout computed to be: 1500
15: /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
 25/223 Test  #27: test_carspacegroup_2 .............   Passed    0.27 sec
test 29
        Start  29: test_carspacegroup_4
29: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "4"
29: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
29: Environment variables: 
29:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
29:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
29: Test timeout computed to be: 1500
 26/223 Test  #28: test_carspacegroup_3 .............   Passed    0.26 sec
test 30
        Start  30: test_cifspacegroup_1
30: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "1"
30: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
30: Environment variables: 
30:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
30:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
30: Test timeout computed to be: 1500
 27/223 Test  #29: test_carspacegroup_4 .............   Passed    0.26 sec
test 31
        Start  31: test_cifspacegroup_2
31: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "2"
31: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
31: Environment variables: 
31:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
31:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
31: Test timeout computed to be: 1500
 28/223 Test  #30: test_cifspacegroup_1 .............   Passed    0.26 sec
test 32
        Start  32: test_cifspacegroup_3
32: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "3"
32: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
32: Environment variables: 
32:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
32:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
32: Test timeout computed to be: 1500
 29/223 Test  #32: test_cifspacegroup_3 .............   Passed    0.01 sec
test 33
        Start  33: test_cifspacegroup_4
33: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "4"
33: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
33: Environment variables: 
33:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
33:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
33: Test timeout computed to be: 1500
 30/223 Test  #31: test_cifspacegroup_2 .............   Passed    0.27 sec
test 34
        Start  34: test_cifspacegroup_5
34: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "5"
34: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
34: Environment variables: 
34:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
34:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
34: Test timeout computed to be: 1500
33: ==============================
33: *** Open Babel Warning  in Find
33:   Unknown space group error, please file a bug report.
33: ==============================
33: *** Open Babel Warning  in Do
33:   Converting to P 1 cell using available symmetry transformations.
 31/223 Test  #33: test_cifspacegroup_4 .............   Passed    0.26 sec
test 35
        Start  35: test_cifspacegroup_6
35: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "6"
35: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
35: Environment variables: 
35:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
35:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
35: Test timeout computed to be: 1500
 32/223 Test  #34: test_cifspacegroup_5 .............   Passed    0.25 sec
test 36
        Start  36: test_cifspacegroup_7
36: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "7"
36: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
36: Environment variables: 
36:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
36:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
36: Test timeout computed to be: 1500
 33/223 Test  #35: test_cifspacegroup_6 .............   Passed    0.26 sec
test 37
        Start  37: test_cifspacegroup_8
37: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "8"
37: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
37: Environment variables: 
37:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
37:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
37: Test timeout computed to be: 1500
 34/223 Test  #36: test_cifspacegroup_7 .............   Passed    0.26 sec
test 38
        Start  38: test_cifspacegroup_9
38: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "9"
38: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
38: Environment variables: 
38:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
38:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
38: Test timeout computed to be: 1500
 35/223 Test  #37: test_cifspacegroup_8 .............   Passed    0.28 sec
test 39
        Start  39: test_cifspacegroup_10
39: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "10"
39: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
39: Environment variables: 
39:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
39:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
39: Test timeout computed to be: 1500
 36/223 Test  #38: test_cifspacegroup_9 .............   Passed    0.26 sec
test 40
        Start  40: test_cifspacegroup_11
40: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "11"
40: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
40: Environment variables: 
40:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
40:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
40: Test timeout computed to be: 1500
 37/223 Test  #39: test_cifspacegroup_10 ............   Passed    0.26 sec
test 41
        Start  41: test_cifspacegroup_12
41: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "12"
41: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
41: Environment variables: 
41:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
41:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
41: Test timeout computed to be: 1500
 38/223 Test  #40: test_cifspacegroup_11 ............   Passed    0.26 sec
test 42
        Start  42: test_cifspacegroup_13
42: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "13"
42: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
42: Environment variables: 
42:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
42:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
42: Test timeout computed to be: 1500
 39/223 Test  #41: test_cifspacegroup_12 ............   Passed    0.27 sec
test 43
        Start  43: test_cistrans_1
43: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "1"
43: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
43: Environment variables: 
43:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
43:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
43: Test timeout computed to be: 1500
 40/223 Test  #43: test_cistrans_1 ..................   Passed    0.01 sec
test 44
        Start  44: test_cistrans_2
44: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "2"
44: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
44: Environment variables: 
44:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
44:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
44: Test timeout computed to be: 1500
 41/223 Test  #44: test_cistrans_2 ..................   Passed    0.01 sec
test 45
        Start  45: test_cistrans_3
45: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "3"
45: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
45: Environment variables: 
45:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
45:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
45: Test timeout computed to be: 1500
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond begin id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond end id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : found 0 reference ids, should be 4.
 42/223 Test  #45: test_cistrans_3 ..................   Passed    0.01 sec
test 46
        Start  46: test_cistrans_4
46: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "4"
46: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
46: Environment variables: 
46:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
46:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
46: Test timeout computed to be: 1500
 43/223 Test  #46: test_cistrans_4 ..................   Passed    0.01 sec
test 47
        Start  47: test_cistrans_5
47: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "5"
47: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
47: Environment variables: 
47:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
47:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
47: Test timeout computed to be: 1500
 44/223 Test  #47: test_cistrans_5 ..................   Passed    0.01 sec
test 48
        Start  48: test_cistrans_6
48: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "6"
48: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
48: Environment variables: 
48:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
48:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
48: Test timeout computed to be: 1500
 45/223 Test  #42: test_cifspacegroup_13 ............   Passed    0.12 sec
test 49
        Start  49: test_cistrans_7
49: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "7"
49: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
49: Environment variables: 
49:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
49:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
49: Test timeout computed to be: 1500
 46/223 Test  #48: test_cistrans_6 ..................   Passed    0.05 sec
test 50
        Start  50: test_cistrans_8
50: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "8"
50: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
50: Environment variables: 
50:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
50:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
50: Test timeout computed to be: 1500
 47/223 Test  #49: test_cistrans_7 ..................   Passed    0.05 sec
test 51
        Start  51: test_cistrans_9
51: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "9"
51: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
51: Environment variables: 
51:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
51:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
51: Test timeout computed to be: 1500
50: ==============================
50: *** Open Babel Information  in IsOnSameAtom
50:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 48/223 Test  #50: test_cistrans_8 ..................   Passed    0.05 sec
test 52
        Start  52: test_conversion_1
52: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "conversion" "1"
52: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
52: Environment variables: 
52:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
52:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
52: Test timeout computed to be: 1500
51: ==============================
51: *** Open Babel Information  in IsOnSameAtom
51:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 49/223 Test  #51: test_cistrans_9 ..................   Passed    0.05 sec
test 53
        Start  53: test_graphsym_1
53: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "1"
53: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
53: Environment variables: 
53:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
53:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
53: Test timeout computed to be: 1500
53: Testing generic smiles <-> canonical smiles
52: ==============================
52: *** Open Babel Warning  in WriteMolecule
52:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
52: # Unit tests for OBConversion 
52: 1..9
52: ok 1
52: ok 2
52: ok 3
52: ok 4
52: ok 5
52: ok 6
52: ok 7
52: ok 8
 50/223 Test  #52: test_conversion_1 ................   Passed    0.06 sec
test 54
        Start  54: test_graphsym_2
54: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "2"
54: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
54: Environment variables: 
54:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
54:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
54: Test timeout computed to be: 1500
54: Testing generic smiles <-> canonical smiles
53: smiles: C[C@H](O)N
53: mol1.NumAtoms = 4
53: canSmiles: C[C@H](O)N	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl[C@@](CCl)(I)Br
53: mol1.NumAtoms = 6
53: canSmiles: ClC[C@](I)(Br)Cl	
53: mol2.NumAtoms = 6
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl/C=C/F
53: mol1.NumAtoms = 4
53: canSmiles: F/C=C/Cl	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
53: mol1.NumAtoms = 19
53: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
53: mol2.NumAtoms = 19
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5
53: mol1.NumAtoms = 23
53: canSmiles: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
53: mol1.NumAtoms = 12
53: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
53: mol1.NumAtoms = 23
53: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
53: mol1.NumAtoms = 18
53: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
53: mol2.NumAtoms = 18
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC[C@H](O1)CC[C@@]12CCCO2
53: mol1.NumAtoms = 11
53: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
53: mol2.NumAtoms = 11
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CN1CCC[C@H]1c2cccnc2
53: mol1.NumAtoms = 12
53: canSmiles: CN1CCC[C@H]1c1cccnc1	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
53: mol1.NumAtoms = 17
53: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
53: mol2.NumAtoms = 17
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
53: mol1.NumAtoms = 31
53: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
53: mol2.NumAtoms = 31
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
53: mol1.NumAtoms = 21
53: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
53: mol2.NumAtoms = 21
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
53: mol1.NumAtoms = 11
53: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
53: mol2.NumAtoms = 11
53: .
53: 
 51/223 Test  #53: test_graphsym_1 ..................   Passed    0.06 sec
test 55
        Start  55: test_graphsym_3
55: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "3"
55: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
55: Environment variables: 
55:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
55:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
55: Test timeout computed to be: 1500
55: stereo/razinger_fig3.mol
54: smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CNCc1ccccc1)O
54: mol1.NumAtoms = 24
54: canSmiles: O[C@H]1C[C@@H](O[C@@H]1CNCc1ccccc1)n1cc(C)c(=O)[nH]c1=O	
54: mol2.NumAtoms = 24
54: .
54: 
 52/223 Test  #54: test_graphsym_2 ..................   Passed    0.06 sec
test 56
        Start  56: test_graphsym_4
56: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "4"
56: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
56: Environment variables: 
56:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
56:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
56: Test timeout computed to be: 1500
56: stereo/razinger_fig7_20.mol
55: 1: 1
55: 2: 1
55: 3: 1
55: 4: 1
55: 5: 2
55: 6: 2
55: 7: 2
55: 8: 2
55: 9: 3
55: 10: 3
55: 11: 3
55: 12: 3
55: 13: 4
55: 14: 4
55: stereo/razinger_fig7_1.mol
56: 1: 3
56: 2: 3
56: 3: 4
56: 4: 5
56: 5: 5
56: 6: 4
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: stereo/razinger_fig7_21.mol
56: 1: 4
56: 2: 6
56: 3: 5
56: 4: 7
56: 5: 5
56: 6: 6
56: 7: 2
56: 8: 3
56: 9: 3
56: 10: 1
56: 11: 1
56: stereo/razinger_fig7_22.mol
55: 1: 1
55: 2: 5
55: 3: 2
55: 4: 4
55: 5: 3
55: stereo/razinger_fig7_2.mol
55: 1: 4
56: 1: 2
56: 2: 2
56: 3: 2
56: 4: 2
56: 5: 1
56: 6: 1
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_23.mol
55: 2: 5
55: 3: 7
55: 4: 6
55: 5: 6
55: 6: 7
55: 7: 5
55: 8: 4
55: 9: 3
55: 10: 3
55: 11: 2
55: 12: 2
55: 13: 1
55: 14: 1
55: stereo/razinger_fig7_3.mol
56: 1: 4
55: 1: 3
55: 2: 5
55: 3: 1
55: 4: 5
55: 5: 6
55: 6: 3
55: 7: 7
55: 8: 7
55: 9: 2
55: 10: 2
55: 11: 4
55: 12: 4
55: stereo/razinger_fig7_4.mol
56: 2: 3
56: 3: 4
56: 4: 3
56: 5: 1
56: 6: 2
56: 7: 1
56: 8: 2
56: stereo/razinger_fig7_24.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 2
56: 6: 2
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_25.mol
55: 1: 7
55: 2: 5
55: 3: 6
55: 4: 6
55: 5: 3
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 4
55: 10: 3
55: stereo/razinger_fig7_5.mol
56: 1: 2
56: 2: 3
56: 3: 4
56: 4: 2
56: 5: 3
56: 6: 3
56: 7: 4
56: 8: 4
56: 9: 1
56: 10: 4
56: 11: 1
56: 12: 1
56: 13: 2
56: 14: 3
56: 15: 2
56: 16: 1
56: stereo/razinger_fig7_26.mol
55: 1: 4
55: 2: 4
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 3
55: 7: 3
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 2
55: 13: 1
55: stereo/razinger_fig7_6.mol
56: 1: 4
55: 1: 3
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 3
55: 2: 4
56: 6: 3
55: 3: 3
56: 7: 1
55: 4: 3
56: 8: 1
55: 5: 3
56: 9: 2
56: 10: 2
56: 11: 2
56: 12: 2
56: stereo/razinger_fig7_27.mol
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 1
55: 13: 2
55: stereo/razinger_fig7_7.mol
56: 1: 6
56: 2: 4
56: 3: 5
56: 4: 8
56: 5: 5
56: 6: 4
56: 7: 7
56: 8: 2
56: 9: 3
56: 10: 1
56: stereo/razinger_fig7_28.mol
56: 1: 2
56: 2: 3
56: 3: 2
56: 4: 3
56: 5: 2
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 1
56: stereo/razinger_fig7_29.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 6
55: 6: 1
55: 7: 4
55: 8: 3
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_8.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_9.mol
56: 1: 3
56: 2: 5
56: 3: 4
56: 4: 6
56: 5: 4
56: 6: 5
56: 7: 1
56: 8: 1
56: 9: 2
 53/223 Test  #56: test_graphsym_4 ..................   Passed    0.09 sec
test 57
        Start  57: test_graphsym_5
57: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "5"
57: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
57: Environment variables: 
57:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
57:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
57: Test timeout computed to be: 1500
55: 1: 8
55: 2: 10
55: 3: 9
55: 4: 8
55: 5: 7
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_10.mol
55: 1: 10
55: 2: 13
55: 3: 11
55: 4: 12
55: 5: 9
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 7
55: 11: 8
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_11.mol
55: 1: 2
55: 2: 8
55: 3: 1
55: 4: 4
55: 5: 3
55: 6: 4
55: 7: 7
55: 8: 5
55: 9: 5
55: 10: 6
55: 11: 3
55: 12: 7
55: 13: 1
55: 14: 2
55: 15: 6
55: 16: 8
55: 17: 9
55: stereo/razinger_fig7_12.mol
55: 1: 6
55: 2: 16
55: 3: 5
55: 4: 4
55: 5: 7
55: 6: 8
55: 7: 13
55: 8: 11
55: 9: 9
55: 10: 12
55: 11: 3
55: 12: 15
55: 13: 1
55: 14: 2
55: 15: 10
55: 16: 14
55: 17: 17
55: stereo/razinger_fig7_13.mol
55: 1: 4
55: 2: 4
55: 3: 3
55: 4: 2
55: 5: 1
55: 6: 3
55: 7: 1
55: 8: 2
55: 9: 3
55: 10: 2
55: 11: 1
55: 12: 3
55: 13: 2
55: 14: 1
55: stereo/razinger_fig7_14.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 1
55: 7: 1
55: stereo/razinger_fig7_15.mol
55: 1: 4
55: 2: 3
55: 3: 5
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 2
55: 8: 1
55: stereo/razinger_fig7_16.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_17.mol
55: 1: 3
55: 2: 5
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_18.mol
55: 1: 3
55: 2: 2
55: 3: 2
55: 4: 3
55: 5: 2
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_19.mol
55: 1: 3
55: 2: 4
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 2
57: stereo/razinger_fig7_48.mol
 54/223 Test  #55: test_graphsym_3 ..................   Passed    0.11 sec
test 58
        Start  58: test_gzip_1
58: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "gziptest" "1"
58: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
58: Environment variables: 
58:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
58:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
58: Test timeout computed to be: 1500
58: 
58: # Testing gzip handling...  
57: 1: 2
57: 2: 3
57: 3: 3
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 2
57: 8: 1
57: 9: 1
57: 10: 2
57: stereo/razinger_fig7_49.mol
57: 1: 5
57: 2: 11
57: 3: 10
57: 4: 7
57: 5: 2
57: 6: 3
57: 7: 6
57: 8: 4
57: 9: 9
57: 10: 8
57: 11: 1
57: stereo/razinger_fig7_50.mol
57: 1: 3
57: 2: 5
57: 3: 5
57: 4: 3
57: 5: 1
57: 6: 1
57: 7: 4
57: 8: 2
57: 9: 4
57: stereo/razinger_fig7_51.mol
57: 1: 3
57: 2: 6
57: 3: 7
57: 4: 5
57: 5: 1
57: 6: 2
57: 7: 4
57: 8: 4
57: 9: 6
57: 10: 7
57: 11: 3
57: 12: 2
57: 13: 1
57: 14: 5
57: stereo/razinger_fig7_52.mol
57: 1: 2
57: 2: 4
57: 3: 4
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 3
57: 8: 4
57: 9: 4
57: 10: 3
57: 11: 2
57: 12: 1
57: 13: 1
57: 14: 2
57: stereo/razinger_fig7_58.mol
57: 1: 3
57: 2: 2
57: 3: 4
57: 4: 4
57: 5: 5
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 3
57: 10: 1
57: 11: 1
57: stereo/razinger_fig7_59.mol
57: 1: 2
57: 2: 4
57: 3: 2
57: 4: 3
57: 5: 3
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 2
57: 10: 1
57: 11: 1
57: 12: 1
57: 13: 1
57: stereo/razinger_fig7_60.mol
57: 1: 3
57: 2: 7
57: 3: 4
57: 4: 5
57: 5: 6
57: 6: 4
57: 7: 5
57: 8: 6
57: 9: 3
57: 10: 2
57: 11: 1
57: 12: 2
57: 13: 1
57: stereo/razinger_fig7_64.mol
57: 1: 4
57: 2: 7
57: 3: 6
57: 4: 8
57: 5: 3
57: 6: 2
57: 7: 4
57: 8: 2
57: 9: 3
57: 10: 8
57: 11: 5
57: 12: 5
57: 13: 1
57: 14: 1
57: stereo/razinger_fig7_69.mol
57: 1: 2
57: 2: 2
57: 3: 2
57: 4: 2
57: 5: 2
57: 6: 2
57: 7: 1
57: 8: 1
57: 9: 1
57: 10: 1
57: 11: 1
57: 12: 1
 55/223 Test  #57: test_graphsym_5 ..................   Passed    0.08 sec
test 59
        Start  59: test_addh_1
59: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "addhtest" "1"
59: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
59: Environment variables: 
59:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
59:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
59: Test timeout computed to be: 1500
59: 
59: # Testing addh handling...  
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/3o8g_uff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/10gs_vww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/12gs_0hh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/13gs_sas.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/19gs_bsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a2n_tet.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a42_bzu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4l_dcf.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1h_mmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1x_hfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c22_mf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c23_mph.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c24_mpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c29_he1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c2t_nhs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c3e_nhr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c3q_tze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c50_chi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c5y_esp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c5z_bam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c72_epy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c81_fdq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c83_oai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c84_761.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c85_oba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c86_opa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c88_ota.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c8l_bin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c8t_tr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c97_ict.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9d_hf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9e_mp1.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 32 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9y_nva.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ca7_eno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1caq_dps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cbq_re9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cci_dmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ceb_amh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cel_ibz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cet_clq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cg4_imo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cgk_nar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cgl_0ed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ch8_gpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1chw_hxc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cj1_c78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjb_irp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjf_hom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjk_tat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjp_mug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ck6_sha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cml_mlc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cnw_eg1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cny_eg3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1com_pre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cp4_bnz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cp6_bub.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cps_cpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq1_pqq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq6_py4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq7_py5.sdf
 56/223 Test  #58: test_gzip_1 ......................   Passed    0.32 sec
test 60
        Start  60: test_implicitH_1
60: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "implicitHtest" "1"
60: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
60: Environment variables: 
60:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
60:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
60: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq8_py6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cqp_803.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cr6_cpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cs4_101.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ctt_dhz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ctu_zeb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cul_103.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cul_3po.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cw2_hsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cwu_tdb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cx2_s58.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cx9_nhp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cxv_cbp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1czm_aas.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0m_blg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0x_mnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0y_onp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0z_pnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1a_dae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1b_daq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1c_nmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1v_ptu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1w_atq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1x_4bt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1y_3bt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d3g_bre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d3h_a26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d4h_beh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d5j_mm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d6n_ppo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d6w_00r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7i_dss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7j_buq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7v_nma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7x_spc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d8f_spi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d8m_bbh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d9i_00p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dae_ikt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dag_dsd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dak_dpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dao_fab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1db4_8in.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1db5_6in.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dcy_i3n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dd6_mci.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dd7_1pm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ddo_itr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ddx_pgx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1de5_rnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1de6_rns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ded_qps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dfi_nad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dg7_wrb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dgp_foh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dia_l24.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dib_l34.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1did_dig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dig_l37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dil_eqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dj9_kam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1djw_cip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1djy_i2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1djz_ip2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dkf_bms.sdf
60: Mol#0, Title 2707, Original atoms vs New atoms: 10 vs 10
60: 
60: Mol#1, Title 167, Original atoms vs New atoms: 16 vs 16
60: 
60: Mol#2, Title 281, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#3, Title 1419, Original atoms vs New atoms: 54 vs 54
60: 
60: Mol#4, Title 1600, Original atoms vs New atoms: 37 vs 37
60: 
60: Mol#5, Title 5081, Original atoms vs New atoms: 38 vs 38
60: 
60: Mol#6, Title 5726, Original atoms vs New atoms: 32 vs 32
60: 
60: Mol#7, Title 9107, Original atoms vs New atoms: 36 vs 36
60: 
60: Mol#8, Title 9550, Original atoms vs New atoms: 5 vs 5
60: 
60: Mol#9, Title 9863, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#10, Title 14768, Original atoms vs New atoms: 6 vs 6
60: 
60: Mol#11, Title 14857, Original atoms vs New atoms: 18 vs 18
60: 
60: Mol#12, Title 14858, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#13, Title 19914, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#14, Title 20438, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#15, Title 20939, Original atoms vs New atoms: 12 vs 12
60: 
60: Mol#16, Title 20940, Original atoms vs New atoms: 20 vs 20
60: 
60: Mol#17, Title 21316, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#18, Title 21317, Original atoms vs New atoms: 13 vs 13
60: 
60: Mol#19, Title 21318, Original atoms vs New atoms: 17 vs 17
60: 
60: Mol#20, Title 21857, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#21, Title 23356, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#22, Title 23699, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#23, Title 24261, Original atoms vs New atoms: 3 vs 3
60: 
60: Mol#24, Title 24530, Original atoms vs New atoms: 4 vs 4
60: 
60: Mol#25, Title 24771, Original atoms vs New atoms: 10 vs 10
60: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dl7_nch.sdf
 57/223 Test  #60: test_implicitH_1 .................   Passed    0.07 sec
test 61
        Start  61: test_lssr_1
61: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "1"
61: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
61: Environment variables: 
61:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
61:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
61: Test timeout computed to be: 1500
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61: Shuffling: aromatics.smi
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test 62
        Start  62: test_lssr_2
62: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "2"
62: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
62: Environment variables: 
62:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
62:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
62: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fen_aze.sdf
62: Shuffling: nci.smi
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test 63
        Start  63: test_lssr_3
63: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "3"
63: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
63: Environment variables: 
63:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
63:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
63: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oi0_283.sdf
63: Shuffling: attype.00.smi
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r1n_epl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r1p_dpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r2l_pb9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r2w_4pg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3m_scx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3n_scz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3p_3sc.sdf
 60/223 Test  #62: test_lssr_2 ......................   Passed    2.45 sec
test 64
        Start  64: test_lssr_4
64: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "4"
64: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
64: Environment variables: 
64:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
64:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
64: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3q_5sc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r40_20e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r4f_rie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r59_ph0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r5n_rp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r5q_1un.sdf
64: Shuffling: rings/tetrahedron.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r64_740.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r6w_llb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r6y_llc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r7b_253.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r8o_t5x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r8p_t6f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9c_grd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9k_sgi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9m_y11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9n_y14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9o_y15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9s_255.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9s_tfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9w_23c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9x_wh6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rah_11p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rbe_zmg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rch_243.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rcw_aai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rdd_aic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rdn_1pl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rdt_2rd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2re8_gsu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rew_rew.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rf2_mrx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rfh_23n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rfn_am7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rfs_am8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rg5_279.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rg6_287.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rgp_hyz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rgu_356.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhr_emo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rht_c1e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhu_mly.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhw_c0e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhy_mlz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ria_289.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rib_gmh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rid_291.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rie_293.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rip_34q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rj4_ad7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rjp_886.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rkd_3pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rke_sat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rki_tt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rl5_2rl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2roy_p28.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2sli_skd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tcl_ro4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tct_ctc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tdt_npi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tmn_0fa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tys_plt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2upj_u02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2usn_in8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uue_mtz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uuh_lmu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uuo_lk3.sdf
64: Shuffling: rings/cubane.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uup_lk4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uv5_amz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uvy_gvi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uvz_gvj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw0_gvk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw4_l15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw5_gvn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw7_gvp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw8_gvq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwd_2gg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwl_895.sdf
64: Shuffling: rings/cubane2.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwo_701.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwp_894.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uxi_g50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uxn_fda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uy3_h33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uy5_h35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uyi_k02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uym_k03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzl_c94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzt_ss3.sdf
64: Shuffling: rings/octahedron.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzv_ss5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzw_ss4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v00_v15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v0i_ud1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v0z_c41.sdf
64: Shuffling: rings/bridged1.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v10_c61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v11_c80.sdf
64: Shuffling: rings/fullerene20.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v12_c39.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v13_c40.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v16_c47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2a_13p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2q_nvg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2v_v12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2z_cdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v3e_nnd.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1o_t26.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y37_a54.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y3i_la8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y41_ipm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5f_xwg.sdf
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 61/223 Test  #63: test_lssr_3 ......................   Passed    0.74 sec
test 65
        Start  65: test_lssr_5
65: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "5"
65: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
65: Environment variables: 
65:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
65:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
65: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5h_y5h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5k_ycu.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y60_m8f.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y67_n21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y68_t04.sdf
65: Verify LSSR: rings/tetrahedron.mdl
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y88_2er.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y91_98j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yac_937.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yak_osv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yb9_ha0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybs_s2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybt_dw0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybu_cx9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yc3_mw5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yca_zm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycf_ycf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycm_30a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycn_p61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycq_upx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycr_hcw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycs_nxp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yct_9po.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yct_pli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycw_cau.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycz_i32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydf_io3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydi_ydi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydj_ydj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydk_ydk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydm_slc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydu_79w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydv_nec.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydw_wsh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ye9_2d4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yek_eam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yfe_yfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yfj_1it.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yfl_dc4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yg2_s1p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yid_td7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yig_5el.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yiq_yiq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yir_yir.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yit_yit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yix_yix.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yiy_yiy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yjd_yjd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykb_ykb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykc_ykc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yke_yke.sdf
65: Verify LSSR: rings/cubane.mdl
65: Verify LSSR: rings/cubane2.mdl
65: Verify LSSR: rings/octahedron.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yki_yki.sdf
65: Verify LSSR: rings/bridged1.mdl
65: Verify LSSR: rings/fullerene20.mdl
65: Verify LSSR: rings/fullerene60.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykj_ykj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykm_ykn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ylo_ylo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ylp_056.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ylq_ylq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yly_su4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ym4_4ym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ym5_ym5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ym8_ym8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ynf_whu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ynh_eur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yni_cxd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yoj_8y6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yol_ebn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ypu_i41.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yvk_mru.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ywp_a42.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yxj_n3c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yxn_azy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yy1_nlc.sdf
 62/223 Test  #65: test_lssr_5 ......................   Passed    0.07 sec
test 66
        Start  66: test_isomorphism_1
66: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "1"
66: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
66: Environment variables: 
66:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
66:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
66: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yze_nob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z0p_4pt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z24_dor.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z2p_dol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z2w_770.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z3h_blo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z3i_bls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z3y_f2n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4b_dc8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4w_749.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4x_252.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4z_sc0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z50_028.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z52_h23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z5u_faj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z60_p3y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z68_til.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 13 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z6q_dcz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z71_pnv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z78_h86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7h_gg3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7i_742.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7k_bgu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7l_s91.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z94_tld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9k_doz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9l_daz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9v_pxm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9z_ddr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2za0_mgi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2za5_2ff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zas_1oh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zaz_gk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zb0_gk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zb1_gk4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zb4_5op.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zbh_bvl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zcq_b65.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zcr_b69.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zcs_b70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zdn_49u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zdt_46c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zdu_446.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zdx_p4a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ze1_411.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ze6_dst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zeb_11m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zec_11n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zeu_b71.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zfs_12u.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zla_vdb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zlg_mrt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zm1_ksf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zm3_575.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zm4_ksm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmb_pxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmh_nya.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmi_tt2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmj_mi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmm_35b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zn7_410.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zno_s44.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2znp_k55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2znq_401.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zoq_5id.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zox_png.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zp0_pi0.sdf
 63/223 Test  #66: test_isomorphism_1 ...............   Passed    0.06 sec
test 67
        Start  67: test_isomorphism_2
67: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "2"
67: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
67: Environment variables: 
67:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
67:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
67: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zp1_iyr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zq2_13u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zsi_ga4.sdf
67: testIsomorphism2
67: 1
 64/223 Test  #67: test_isomorphism_2 ...............   Passed    0.05 sec
test 68
        Start  68: test_isomorphism_3
68: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "3"
68: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
68: Environment variables: 
68:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
68:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
68: Test timeout computed to be: 1500
68: testIsomorphism3
68: 2
 65/223 Test  #68: test_isomorphism_3 ...............   Passed    0.05 sec
test 69
        Start  69: test_isomorphism_4
69: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "4"
69: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
69: Environment variables: 
69:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
69:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
69: Test timeout computed to be: 1500
69: testIsomorphism4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zt5_b4p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zt8_drv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ztx_dtz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zv2_609.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zvj_kom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zwl_567.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxc_2ed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxg_s23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxm_jb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxn_jc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxz_p26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zy0_21p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zy1_830.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zyb_ksl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zyu_pps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zz2_6cn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zzu_359.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a0i_aji.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a29_2t0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a2c_pdy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a2i_tej.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a3z_2mv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a40_23r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a4p_dfq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a50_vd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a73_pj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a74_lyn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a78_3ev.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7d_fbn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7r_laq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7y_o13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7z_o14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a8b_br6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a9e_754.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aau_gzc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aav_a2c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3abt_2pf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3abu_12f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac1_kzi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac2_kse.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac3_ksh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac4_kzl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac5_kzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac8_ksk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acj_kss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ack_ksr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acl_3f1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acw_651.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acx_673.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acy_702.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad4_kbm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad5_5pb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad6_ksc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aez_paz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3af4_gcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3afr_icj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aga_rcc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ai8_hnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ajh_bl3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3akg_ahr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aki_ah8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3akn_11d.sdf
69: 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3am9_fyo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anl_syc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anm_syd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ann_sye.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anq_ehb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anr_hrm.sdf
 66/223 Test  #69: test_isomorphism_4 ...............   Passed    0.06 sec
test 70
        Start  70: test_isomorphism_5
70: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "5"
70: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
70: Environment variables: 
70:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
70:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
70: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ans_s38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ant_s82.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao2_avx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao3_bmc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao4_833.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aoc_ery.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aox_emh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apc_mmd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apd_mmy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apf_bmw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apv_tp0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apw_dp0.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3asx_d99.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3avq_mv1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ax7_xax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ax8_eim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3axw_tid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3az1_ds2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3az2_ds3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3az3_ds6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b03_vnr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b04_oop.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b05_fnr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b0q_mc5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b0t_mcz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b0w_dgx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b1m_krc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b29_lsm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b2t_m33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b2w_9nh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b3o_ji3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b3p_ji7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b3x_a33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b5b_ndn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b5r_b5r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b65_3b6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b66_b66.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b67_b67.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b68_b68.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b6h_mxd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b7d_cni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b7j_jug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b7u_kel.sdf
70: 3
70: 1
70: 2
70: 1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8q_900.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8r_887.sdf
 67/223 Test  #70: test_isomorphism_5 ...............   Passed    0.06 sec
test 71
        Start  71: test_isomorphism_6
71: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "6"
71: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
71: Environment variables: 
71:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
71:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
71: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8x_g4m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8z_294.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b92_440.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b99_u51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9j_290.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9m_azz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9x_nos.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ba8_3b8.sdf
71: testAutomorphismMask
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ba9_3b9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3baa_3ba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bab_3bd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bbt_fmm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bc3_opt.sdf
71: 4
71: 8
71: 0 1 2 3 4 5 9 8 7 10 11 12 13 
71: 0 1 2 3 4 5 9 8 13 12 11 10 7 
71: 4 3 2 1 0 5 9 8 7 10 11 12 13 
71: 4 3 2 1 0 5 9 8 13 12 11 10 7 
71: 10 7 8 13 12 11 9 2 1 0 5 4 3 
71: 10 7 8 13 12 11 9 2 3 4 5 0 1 
71: 12 13 8 7 10 11 9 2 1 0 5 4 3 
71: 12 13 8 7 10 11 9 2 3 4 5 0 1 
 68/223 Test  #71: test_isomorphism_6 ...............   Passed    0.05 sec
test 72
        Start  72: test_isomorphism_7
72: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "7"
72: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
72: Environment variables: 
72:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
72:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
72: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bc5_zaa.sdf
72: testAutomorphismMask2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bdj_141.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bdk_dno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3be2_raj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3be9_p04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bea_ixh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bej_muf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bel_pox.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ben_leh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bet_ctf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bfi_ndu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bg8_inh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgb_ljg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgc_ljh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgl_rid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgp_vx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgq_vx2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgx_mef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgz_vx3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhe_bzn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhh_5cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhm_ab3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhm_ahe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhx_bhx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi1_3bi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi2_297.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi4_298.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi5_dia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi6_396.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3biz_61e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bjc_wan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bk0_cnu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bki_fqx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bkk_kaf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bkl_kaw.sdf
 69/223 Test  #64: test_lssr_4 ......................   Passed    0.94 sec
test 73
        Start  73: test_isomorphism_8
73: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "8"
73: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
73: Environment variables: 
73:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
73:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
73: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl1_bl1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl7_dd1.sdf
 70/223 Test  #72: test_isomorphism_7 ...............   Passed    0.06 sec
test 74
        Start  74: test_isomorphism_9
74: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "9"
74: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
74: Environment variables: 
74:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
74:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
74: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl9_dd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bla_dd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blb_swa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bll_bpq.sdf
73: testAutomorphismPreMapping
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blq_atp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blr_cpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bmy_cxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnm_spj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnu_spz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnz_c16.sdf
74: testIsomorphism9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bpr_olp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqd_day.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqf_ssm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqm_bqm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqn_bqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqr_4rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3br0_mgr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3br9_dey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bsa_1pd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bsc_2pd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3btj_deq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bto_ssb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvt_wz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvu_wz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvv_wz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvw_wz4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvx_wz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bxg_bg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bym_am0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byo_am9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bys_am5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byu_am6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byx_c00.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byz_h11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz7_bl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz8_bl6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz9_bl7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bzu_a21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c06_14c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c1k_t15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c1x_ckk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c2y_s60.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c3u_c2u.sdf
73: 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c43_315.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c45_317.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c49_ku8.sdf
 71/223 Test  #73: test_isomorphism_8 ...............   Passed    0.05 sec
test 75
        Start  75: test_multicml_1
75: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "multicmltest" "1"
75: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
75: Environment variables: 
75:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
75:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
75: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4e_c4e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4f_c4f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4h_drl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c56_ph4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6n_2s8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6p_2s3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6t_m14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6u_m22.sdf
75: 
75: # Testing handling of multi-molecule cml files...  
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c72_cx1.sdf
 72/223 Test  #74: test_isomorphism_9 ...............   Passed    0.06 sec
test 76
        Start  76: test_periodic_1
76: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "1"
76: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
76: Environment variables: 
76:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
76:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
76: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c7i_tvn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c7p_pof.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c9t_tps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cak_efs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cav_ci2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbf_n5f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbl_stu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbp_sfg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbs_r12.sdf
 73/223 Test  #76: test_periodic_1 ..................   Passed    0.01 sec
test 77
        Start  77: test_periodic_2
77: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "2"
77: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
77: Environment variables: 
77:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
77:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
77: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccb_b2y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccc_7ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccn_lkg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cct_3hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccw_4hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccz_5hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd0_6hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd5_7hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd8_l5g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cda_8hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cdb_9hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cde_n3h.sdf
 74/223 Test  #77: test_periodic_2 ..................   Passed    0.01 sec
test 78
        Start  78: test_periodic_3
78: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "3"
78: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
78: Environment variables: 
78:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
78:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
78: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ce3_1fn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ceh_ave.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cej_avf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cem_avd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cen_fxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cf6_sp1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cf9_agi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cfl_5ch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cgf_jnf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cgo_jno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ch6_311.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ch9_xrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chc_zrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chd_wrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cho_4bg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chp_4bo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chq_4bq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chr_4bs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chs_4bu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj0_sx2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj2_sx3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj3_sx4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj4_sx5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj5_sx6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjf_sav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjg_kim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjo_k30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjt_2mm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cke_fdf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cld_gw6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cm2_x23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cm7_x22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cmp_dbh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cmp_eb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cn8_spd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cnp_sp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cns_sp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cnt_sp9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3co9_3ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3coh_83h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cow_52h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3coy_53h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3coz_54h.sdf
 75/223 Test  #75: test_multicml_1 ..................   Passed    0.06 sec
test 79
        Start  79: test_periodic_4
79: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "4"
79: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
79: Environment variables: 
79:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
79:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
79: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cp6_rsx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cp9_c19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cpb_c92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cpc_c52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cpo_fp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cqe_p91.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cqu_cqu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cqw_cqw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cr0_809.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cr5_pnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3crb_cou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cs4_cov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cs6_0co.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3csj_cbl.sdf
 76/223 Test  #79: test_periodic_4 ..................   Passed    0.01 sec
test 80
        Start  80: test_regressions_1
80: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "1"
80: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
80: Environment variables: 
80:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
80:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
80: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cso_xni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cth_319.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ctj_320.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ctt_3cu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuf_9mr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cug_g3i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuh_g2i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cui_x4s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuj_x5s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuk_4p5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuw_445.sdf
 77/223 Test  #78: test_periodic_3 ..................   Passed    0.06 sec
test 81
        Start  81: test_regressions_221
81: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "221"
81: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
81: Environment variables: 
81:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
81:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
81: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cv5_m5s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cv6_hxs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cvk_n34.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cwd_lna.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cwe_825.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cwj_321.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cx9_lpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cxo_1n5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cxo_3lr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cxw_7cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cy2_mb9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cy3_jn5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cyl_vit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czh_d2v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czn_m5g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czr_3cz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czy_ad8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d04_sak.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d0b_snx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d0e_g93.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d14_ak1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d15_ak2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d1g_322.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d1v_d1v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d27_w29.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d28_b34.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d2i_ak3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d2k_ak4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d3e_d3e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d3p_20a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4b_dzd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4l_605.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4n_d4n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4q_sm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4s_clr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4s_tim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4y_mvl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d50_oev.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d52_ghr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d5f_l41.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d5m_4ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d5q_t30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6o_u1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6p_u2s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6q_u3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6u_t11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6v_tfq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6y_ber.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7b_u4s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7d_fbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7f_yby.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7g_mud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7h_yc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7z_gk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d80_q22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d8y_t3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d8z_txs.sdf
 78/223 Test  #81: test_regressions_221 .............   Passed    0.10 sec
test 82
        Start  82: test_regressions_222
82: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "222"
82: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
82: Environment variables: 
82:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
82:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
82: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d90_nog.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d91_rem.sdf
 79/223 Test  #80: test_regressions_1 ...............   Passed    0.12 sec
test 83
        Start  83: test_regressions_223
83: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "223"
83: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
83: Environment variables: 
83:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
83:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
83: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d94_d94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d9d_n6c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d9e_n8c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3da2_4md.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3da6_bz9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3daj_fxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dap_da3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dbm_ho2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dbp_nup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dbs_gd9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dct_064.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dcu_o62.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dcv_55e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dd1_25d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dd8_2c7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ddf_gb6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ddg_gb7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ddn_hpv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dds_26b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ddu_552.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ddw_055.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dea_hzh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3deh_rxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dei_rxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dej_rxc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dek_rxd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3df9_df9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dg8_rj6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dga_rj1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dgq_eaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dgr_a12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dh8_b4n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dha_c6l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dhc_cyk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dho_b2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dhy_3dh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3di6_pdz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj5_ak5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj6_ak6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj7_ak7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj8_exy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3djk_g55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dk1_g05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dk3_sx7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dkf_sx8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dkl_unu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dko_ihz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dl9_v2h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dle_gfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dlg_gwe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dn5_53n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dnd_ll2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dne_ll1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dng_axa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dog_nnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dok_gwj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dol_gwi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dop_bdt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3doy_2be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3doz_3be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp0_2bc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp1_2rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp2_4be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp3_4bb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp8_hct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dpd_41a.sdf
 80/223 Test  #82: test_regressions_222 .............   Passed    0.05 sec
test 84
        Start  84: test_regressions_224
84: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "224"
84: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
84: Environment variables: 
84:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
84:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
84: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dpf_axb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dpk_8c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dr1_c5d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3drp_r8e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3drs_r8d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ds6_a17.sdf
 81/223 Test  #83: test_regressions_223 .............   Passed    0.06 sec
test 85
        Start  85: test_regressions_225
85: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "225"
85: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
85: Environment variables: 
85:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
85:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
85: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dsi_t24.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dsz_liz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt1_p40.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt3_369.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt7_gtp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt7_spv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dtc_vin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dtu_trd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dtw_a96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3du8_553.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dv3_mek.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dws_fic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx1_yho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx2_mzb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx3_ytb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx4_goo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dy6_dy6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dy7_1cx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dya_pzl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dyq_pcg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz2_a8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz4_c8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz6_m8e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz7_o8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dzi_rgt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dzq_ifc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dzt_eah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e01_pz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e0p_b3c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e12_kd0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e16_b4c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e2m_e2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e30_ed4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e32_ed2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e33_ed7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e33_fpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e34_ed1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e37_ed5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e4a_qix.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e4e_4pz.sdf
 82/223 Test  #84: test_regressions_224 .............   Passed    0.07 sec
test 86
        Start  86: test_regressions_226
86: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "226"
86: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
86: Environment variables: 
86:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
86:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
86: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e51_n35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e62_5b1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e63_5b2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e64_5b3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e65_xxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e67_bvf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e68_at6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6i_lz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6k_abh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6l_a11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6n_as3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6o_a55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6t_1a2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6y_cw1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7b_e7b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7c_866.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7i_b2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7m_at2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7o_35f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7t_b14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7v_dzo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e80_hs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e87_g95.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8c_g96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8e_g98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8n_vra.sdf
 83/223 Test  #85: test_regressions_225 .............   Passed    0.09 sec
test 87
        Start  87: test_regressions_227
87: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "227"
87: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
87: Environment variables: 
87:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
87:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
87: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8r_615.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e92_g6a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e9i_xah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e9s_ttt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e9y_1ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ea4_2sm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eah_327.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eai_328.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eau_pdn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eax_lzp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eb1_lzq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebd_329.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebf_332.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebi_bey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebs_n4e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ecg_065.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ecn_ibm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ed1_ga3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3edz_550.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eeo_pdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3efj_mt3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3efk_mt4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3efl_706.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eft_3bs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3efw_ak8.sdf
86: Rep: 0
86:   0 [H] --> [H] ([H])
86:   1 [H][H] --> [H][H] ([H][H])
86:   2 [HH] --> [HH] ([HH])
86:   3 C --> C (C)
86:   4 [C] --> [C] ([C])
86:   5 [CH] --> [CH] ([CH])
86:   6 [CH3] --> [CH3] ([CH3])
86:   7 [CH4] --> C (C)
86:   8 [CH5] --> [CH5] ([CH5])
86:   9 C[H] --> C (C)
86:   10 [C][H] --> [CH] ([CH])
86:   11 [CH3][H] --> C (C)
86:   12 [CH2]([H])[H] --> C (C)
86:   13 [U][H] --> [UH] ([UH])
86:   14 [UH2] --> [UH2] ([UH2])
86:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   20 C[H:1] --> C (C)
86:   21 C[2H] --> C[2H] (C[2H])
86:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
86:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
86:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
86:   25 F[I]F --> F[I]F (F[I]F)
86: Rep: 1
86:   0 [H] --> [H] ([H])
86:   1 [H][H] --> [H][H] ([H][H])
86:   2 [HH] --> [HH] ([HH])
86:   3 C --> C (C)
86:   4 [C] --> [C] ([C])
86:   5 [CH] --> [CH] ([CH])
86:   6 [CH3] --> [CH3] ([CH3])
86:   7 [CH4] --> C (C)
86:   8 [CH5] --> [CH5] ([CH5])
86:   9 C[H] --> C[H] (C[H])
86:   10 [C][H] --> [C][H] ([C][H])
86:   11 [CH3][H] --> C[H] (C[H])
86:   12 [CH2]([H])[H] --> C([H])[H] (C([H])[H])
86:   13 [U][H] --> [U][H] ([U][H])
86:   14 [UH2] --> [UH2] ([UH2])
86:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
86:   20 C[H:1] --> C[H] (C[H])
86:   21 C[2H] --> C[2H] (C[2H])
86:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
86:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
86:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
86:   25 F[I]F --> F[I]F (F[I]F)
86: Rep: 2
86:   0 [H] --> [H] ([H])
86:   1 [H][H] --> [H][H] ([H][H])
86:   2 [HH] --> [H][H] ([H][H])
86:   3 C --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   4 [C] --> [C] ([C])
86:   5 [CH] --> [C][H] ([C][H])
86:   6 [CH3] --> [C]([H])([H])[H] ([C]([H])([H])[H])
86:   7 [CH4] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   8 [CH5] --> [C]([H])([H])([H])([H])[H] ([C]([H])([H])([H])([H])[H])
86:   9 C[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   10 [C][H] --> [C][H] ([C][H])
86:   11 [CH3][H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   12 [CH2]([H])[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   13 [U][H] --> [U][H] ([U][H])
86:   14 [UH2] --> [U]([H])[H] ([U]([H])[H])
86:   15 [C@@H](Br)(Cl)I --> [C@](Br)(Cl)(I)[H] ([C@](Br)(Cl)(I)[H])
86:   16 Br[C@@H](Cl)I --> Br[C@@](Cl)(I)[H] (Br[C@@](Cl)(I)[H])
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
86:   20 C[H:1] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   21 C[2H] --> C([2H])([H])([H])[H] (C([2H])([H])([H])[H])
86:   22 c1ccccc1 --> c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H] (c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H])
86:   23 c1cnccc1 --> c1(c(nc(c(c1[H])[H])[H])[H])[H] (c1(c(nc(c(c1[H])[H])[H])[H])[H])
86:   24 c1c[nH]cc1 --> c1(c(n(c(c1[H])[H])[H])[H])[H] (c1(c(n(c(c1[H])[H])[H])[H])[H])
86:   25 F[I]F --> F[I]F (F[I]F)
86: Rep: 3
86:   0 [H] --> [#1] ([#1])
86:   1 [H][H] --> [#1][#1] ([#1][#1])
86:   2 [HH] --> [#1] ([#1])
86:   3 C --> C (C)
86:   4 [C] --> C (C)
86:   5 [CH] --> C (C)
86:   6 [CH3] --> C (C)
86:   7 [CH4] --> C (C)
86:   8 [CH5] --> C (C)
86:   9 C[H] --> [C!H0] ([C!H0])
86:   10 [C][H] --> [C!H0] ([C!H0])
86:   11 [CH3][H] --> [C!H0] ([C!H0])
86:   12 [CH2]([H])[H] --> [C!H0!H1] ([C!H0!H1])
86:   13 [U][H] --> [U!H0] ([U!H0])
86:   14 [UH2] --> [U] ([U])
86:   15 [C@@H](Br)(Cl)I --> [C](Br)(Cl)I ([C](Br)(Cl)I)
86:   16 Br[C@@H](Cl)I --> Br[C](Cl)I (Br[C](Cl)I)
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   20 C[H:1] --> [C!H0] ([C!H0])
86:   21 C[2H] --> C[2#1] (C[2#1])
86:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
86:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
86:   24 c1c[nH]cc1 --> c1cncc1 (c1cncc1)
86:   25 F[I]F --> FIF (FIF)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3egw_mgd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ehx_bdl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ehy_tbl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ei6_pl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ei8_pl5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eia_pl6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eio_ajh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ej5_ej5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ejp_hn2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ejq_hn3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ejr_hn4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ejs_hn5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ejt_hn6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eju_hn7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ejx_zdp.sdf
 84/223 Test  #86: test_regressions_226 .............   Passed    0.08 sec
test 88
        Start  88: test_regressions_228
88: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "228"
88: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
88: Environment variables: 
88:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
88:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
88: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ekd_pam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ekk_gs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ekm_zdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ekn_gs3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eku_cy9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3el3_el3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3el7_pd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3elj_gs7.sdf
 85/223 Test  #87: test_regressions_227 .............   Passed    0.07 sec
test 89
        Start  89: test_regressions_240
89: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "240"
89: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
89: Environment variables: 
89:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
89:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
89: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3elm_24f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3emg_685.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3emq_hah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3emz_hxh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3en5_ks4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3en6_ks5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3en7_abj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ene_npz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ens_ens.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3env_abf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eoc_t2a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eou_pk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3epn_irn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3epo_mp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eq7_x99.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eq8_x98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eq9_x97.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eqb_lug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eqc_3bm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eqf_ksa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eqg_4bm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eqh_5bm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eqp_t95.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eqr_t74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3erk_sb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3esn_dz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eso_dz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3esp_dz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ess_18n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3et3_et1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3et7_349.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eta_351.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3etd_b1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3etr_luz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eu5_gbo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3euf_bau.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ewh_k11.sdf
 86/223 Test  #89: test_regressions_240 .............   Passed    0.07 sec
test 90
        Start  90: test_regressions_241
90: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "241"
90: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
90: Environment variables: 
90:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
90:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
90: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ewj_642.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ex8_aif.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ey4_352.sdf
 87/223 Test  #88: test_regressions_228 .............   Passed    0.09 sec
test 91
        Start  91: test_regressions_242
91: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "242"
91: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
91: Environment variables: 
91:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
91:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
91: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eyk_eyk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eyl_smk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ezr_ezr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f07_age.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f0b_53r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f0q_52v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f0t_ncv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f0x_53t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f15_hs1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f16_hs3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f17_hs4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f18_hs5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f19_hs6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f1a_hs7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f1o_2xy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f1q_bce.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f28_s7b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f2n_izz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f2p_s3b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f3t_1au.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f3u_1aw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f3v_1bu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f46_i2c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f5l_lb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f5p_741.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f66_gbl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f66_ihx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f69_xdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f6b_8pa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f6x_ihh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f78_icf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f7b_ag5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f7d_p42.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f7h_419.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f7i_g13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f7u_ag4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f7z_34o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f80_6hn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f81_stt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f82_353.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f88_2ht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f88_3ht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f8s_pf2.sdf
 88/223 Test  #90: test_regressions_241 .............   Passed    0.06 sec
test 92
        Start  92: test_regressions_1794
92: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "1794"
92: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
92: Environment variables: 
92:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
92:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
92: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f8z_dh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f9b_pdv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3f9n_38m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3faa_55f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fal_lo2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fat_amq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fc2_ibi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fc6_lx2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fc8_ifa.sdf
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 1).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 2).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 3).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 4).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 5).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 6).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 7).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 8).
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fcb_ifb.sdf
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 9).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 10).
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fcf_fcf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fci_3fi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fcj_nie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fck_fck.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fcl_3fl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fco_iig.sdf
 89/223 Test  #91: test_regressions_242 .............   Passed    0.07 sec
test 93
        Start  93: test_regressions_2111
93: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "2111"
93: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
93: Environment variables: 
93:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
93:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
93: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fcq_m3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fdc_btf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fdn_mmh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fdz_dg2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fed_bix.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fei_ctm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ffi_3ob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fgd_bya.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fgo_cza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fh5_24p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fh7_25p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fh8_27p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fhe_28p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fhx_pxl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fi2_jk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fi3_jk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fi4_fi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fj6_cih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fjl_cjh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fjz_gpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fk7_4dm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fkb_tnm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fkb_tnv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fkl_fkl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fkn_fkn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fl1_cgp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fl5_txq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3flf_ub3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fli_33y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fln_3fn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3flw_flw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3flz_flz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fmz_2t1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fne_8pc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fnf_jpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fng_jpl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fnh_jpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3foo_pxx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3for_znp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fp0_fp0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fpd_q4a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fpm_793.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqe_p5c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqh_057.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqk_79z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqo_n22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqs_585.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqv_11f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr0_ajb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr2_8ca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr3_gds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr4_f8a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr5_i4a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fra_i2h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frb_top.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frc_0hg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frg_sk4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frj_a49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frz_ag0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fsf_fss.sdf
93: ==============================
93: *** Open Babel Warning  in InChI code
93:   #1 :Omitted undefined stereo
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fsk_ro6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fst_mry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ft8_moj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ftu_re2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ftv_11x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fty_3ip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ftz_848.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu0_22f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu3_92g.sdf
 90/223 Test  #93: test_regressions_2111 ............   Passed    0.07 sec
test 94
        Start  94: test_rotor_1
94: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "1"
94: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
94: Environment variables: 
94:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
94:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
94: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu5_492.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu6_80g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu7_d2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu8_3dm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu9_kib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fue_11s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fue_bes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fuf_14o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fug_2e3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fuh_5h1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fui_812.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fuj_00g.sdf
 91/223 Test  #94: test_rotor_1 .....................   Passed    0.01 sec
test 95
        Start  95: test_rotor_2
95: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "2"
95: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
95: Environment variables: 
95:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
95:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
95: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fuk_58z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ful_52d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fum_80a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fun_798.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fur_z12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv1_dyh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv2_ndz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv4_1u4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv5_1eu.sdf
 92/223 Test  #92: test_regressions_1794 ............   Passed    0.10 sec
test 96
        Start  96: test_rotor_3
96: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "3"
96: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
96: Environment variables: 
96:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
96:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
96: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv8_jk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvf_1jz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvg_ms8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvi_osf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvk_8dx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvl_bhk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvn_9dx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvo_8ep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvp_ub2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fw0_hh3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fw3_ets.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fw9_slx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fwa_ren.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fx4_fx4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fx6_bpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxp_d38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxv_643.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxw_f10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxz_fll.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 5 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fy1_na1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fy9_xcf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fyk_b98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzh_3bh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzk_3bk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzl_3fd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzm_3go.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzn_d7k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzr_3jz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzt_4jz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0b_t22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0c_ruf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0e_b49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0g_rum.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0u_mdy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0w_lgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0x_md7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0y_p9a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g11_p9c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g15_hc6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1f_2om.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1h_h2u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1l_rf2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1m_rf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1o_rf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1r_fit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1v_5fu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g3e_g3e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g3n_tc8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g42_792.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g49_3g4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4f_fpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4i_d71.sdf
 93/223 Test  #96: test_rotor_3 .....................   Passed    0.07 sec
test 97
        Start  97: test_rotor_4
97: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "4"
97: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
97: Environment variables: 
97:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
97:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
97: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4q_mch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4u_0cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4v_7cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4w_8cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4y_9cl.sdf
 94/223 Test  #95: test_rotor_2 .....................   Passed    0.08 sec
test 98
        Start  98: test_shuffle_1
98: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "1"
98: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
98: Environment variables: 
98:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
98:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
98: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g52_cee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g53_lt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g58_988.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g5e_q74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g5h_ytt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g5m_xm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g6g_g6g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g6h_g6h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g6z_a7t.sdf
98:  True Shuffling: COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g70_a5t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g72_a6t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g75_b48.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g76_cz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g7b_b47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g7e_b46.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g7w_mlr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g82_mi3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g86_t18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g8e_is1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g8i_ro7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g8o_30x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g90_j72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g93_pb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g9l_j67.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g9n_j88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gal_1gn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gam_mxx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gb2_g3b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gb9_a2f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gc4_aaq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gc5_2mq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gc9_b45.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gch_oac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gd2_708.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gdx_4bd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ge7_afq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gen_b43.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gep_24h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3geq_pp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gfe_p37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gfw_s22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ggc_h26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ggf_gvd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ggj_25h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ggs_2fd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ghc_ghc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gi2_ghw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gjr_dze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gjw_gjw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gk1_32a.sdf
 95/223 Test  #97: test_rotor_4 .....................   Passed    0.07 sec
test 99
        Start  99: test_shuffle_2
99: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "2"
99: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
99: Environment variables: 
99:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
99:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
99: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gk2_27a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gk4_53a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gkn_bih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gko_aza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gky_iph.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3glz_1bd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gmd_2m3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gn0_dmo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gn7_3gn.sdf
99:  True Shuffling: Br.CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1SC(=O)CCCCn1ccccc1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gnv_xnz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gnw_xnc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3goi_loi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gok_p4o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gol_xnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gph_oid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gqe_bcn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gql_gql.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gqy_dzg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gqz_gf7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gr2_gf4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gr4_dyy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3grj_g14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gs0_6bd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gs4_7bd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gsg_gf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gsm_vpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gsy_deh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gt3_brv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gt9_516.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gta_851.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gtc_gtc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gu8_3gu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gub_gub.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gur_byg.sdf
98: ref = COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gus_n11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gv5_adi.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gv9_gv9.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gvb_3gv.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gw5_72x.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gwt_066.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gwx_epa.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gxl_qig.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gxo_mqa.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gyn_b42.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gz9_d32.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gzj_evs.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3gzx_bnl.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h03_ubp.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h06_vbp.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0a_d30.sdf
98:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C/c1ccc(cc1)C#N)C(=O)N/N=C\c1ccc(cc1)C#N
98: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0c_ps4.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0f_pg5.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0q_b37.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0s_b38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0v_m2t.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0w_n8m.sdf
99: ==============================
99: *** Open Babel Warning  in ParseSmiles
99:   Failed to kekulize aromatic SMILES
99: 
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ref = O=C(Sc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCCN1[CH]C=CC=C1.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h0y_48b.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h10_97b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h1v_tk1.sdf
99: ==================== end doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h2l_yak.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h3c_p1e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h3f_oxm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h3q_h13.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h3r_14h.sdf
98: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h3s_h15.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h3t_16h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h4b_bru.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h4v_dvp.sdf
98: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h59_h59.sdf
98: ==================== end doRoundtrip =========================
98:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C\c1ccc(cc1)C#N)C(=O)N/N=C/c1ccc(cc1)C#N
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h5s_h5s.sdf
98: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h5u_h5u.sdf
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h61_enl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h63_nhc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h6k_33t.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h6o_d8g.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h7w_018.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h82_020.sdf
99: ==================== end doRoundtrip =========================
99:  True Shuffling: Br.CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(=O)CCCCn2ccccc2)c1
99: ==============================
99: *** Open Babel Warning  in ParseSmiles
99:   Failed to kekulize aromatic SMILES
99: 
99: ref = CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccccc1SC(=O)CCCCN1[CH]C=CC=C1.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h89_nsx.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h8b_nsy.sdf
98: ==================== end doRoundtrip =========================
99: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h8c_nsz.sdf
98: ==================== end doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h98_b5p.sdf
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h9f_92m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h9k_ufp.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h9o_9bd.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3h9r_tak.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ha6_2jz.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hab_677.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hac_361.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hb4_e2b.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: CC(=O)O.N=C\1/C=C/C(=C(/c2ccc(N)cc2)\c2ccc(N)c(C)c2)/C=C1
98: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1.CC(=O)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hc5_82x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hc6_088.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hc8_pd4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hcb_lt2.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
98: ==================== end doRoundtrip =========================
99:  True Shuffling: Br.COc1ccc(cc1)Cn1cccc(O)c1
98: ==================== start doRoundtrip =========================
99: ==============================
99: *** Open Babel Warning  in ParseSmiles
99:   Failed to kekulize aromatic SMILES
99: 
98: ==================== end doRoundtrip =========================
99: ref = COc1ccc(cc1)CN1[CH]C=CC(=C1)O.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hcc_lt3.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hcf_lt5.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hch_rsm.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3hcm_s45.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i1y_33n.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i28_34n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i4v_3ce.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i4y_35c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i51_45c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i58_7na.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i5n_b2d.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i5u_5na.sdf
98: ==================== end doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i5z_z48.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i60_e86.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i64_dna.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i65_jz8.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i68_j4z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i6c_gia.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i6m_g3x.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
99: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i6o_gr6.sdf
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i6r_j5z.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i6z_g6x.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i7g_732.sdf
98: ==================== end doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i7i_518.sdf
98: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i81_ebi.sdf
99: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i8p_840.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i8r_dtv.sdf
98: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i8u_18b.sdf
99: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
98:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9=C6C7=C5[C@@H]89)C5=C3C2=C1[C@H]45.F[B-](F)(F)F
99: ==================== start doRoundtrip =========================
98: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i8v_0mo.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i97_8dr.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3i9n_avw.sdf
99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ia6_unt.sdf
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3iad_15x.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99:  True Shuffling: Br.NCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
99: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3iak_ev1.sdf
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ic0_b77.sdf
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99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3idp_l1e.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3iej_599.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ies_m24.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99:  True Shuffling: Br.NCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
98: ==================== start doRoundtrip =========================
99: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ig6_438.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3igv_b80.sdf
98: ==================== end doRoundtrip =========================
98:  True Shuffling: c1[14cH]cccc1
98: ref = [14cH]1ccccc1
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ii5_831.sdf
98: ==================== end doRoundtrip =========================
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98:  True Shuffling: [14cH]1[14cH]cccc1
98: ref = [14cH]1[14cH]cccc1
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3iiq_jza.sdf
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3iiu_pid.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ijj_avr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ijj_en1.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ik9_bob.sdf
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ikd_j9z.sdf
98: ==================== start doRoundtrip =========================
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98:  True Shuffling: [14cH]1[14cH]ccc[14cH]1
98: ref = [14cH]1[14cH]ccc[14cH]1
98: ==================== start doRoundtrip =========================
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99:  True Shuffling: CC(=O)O.Oc1nc(N)c2nc3c(nc2n1)c1cccc2cccc3c12.OS(=O)(=O)O
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ikg_j8z.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3imc_bz3.sdf
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98:  True Shuffling: [14cH]1[14cH]cc[14cH][14cH]1
98: ref = [14cH]1[14cH][14cH]cc[14cH]1
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98:  True Shuffling: [14cH]1[14cH]c[14cH][14cH][14cH]1
98: ref = [14cH]1[14cH][14cH]c[14cH][14cH]1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3imr_iw1.sdf
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99: ==================== start doRoundtrip =========================
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98:  True Shuffling: [14cH]1[14cH][14cH][14cH][14cH][14cH]1
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98:  True Shuffling: stereo/error2.smi
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k3l_dbs.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
98: ref = CCCCCCCCCCCCCCCCCCSC[C@]12[C@H](COS(=O)(=O)O)[C@@H](COS(=O)(=O)O)[C@H](c3c1cccc3)c1c2cccc1.[NaH]
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k3l_mck.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k45_51p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k47_d09.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k4f_q86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k56_is3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k5e_k5e.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k5k_dxq.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k5v_stj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k6l_2bb.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k6p_5fb.sdf
99:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
99: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k8o_229.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k8q_22a.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k8s_z27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k8x_b89.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k98_1rc.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3k9w_4ps.sdf
99: ==================== start doRoundtrip =========================
98: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ka0_mk3.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kaa_psf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kab_4bl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kac_4bx.sdf
98: ==================== end doRoundtrip =========================
98: ==============================
98: *** Open Babel Warning  in ParseSmiles
98:   Failed to kekulize aromatic SMILES
98: 
98: ref = O=C(c1cc(ccc1O)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)O.CN1[CH]C=CC=C1.[NaH].Cl
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kad_4c0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kaf_4d9.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kag_4d7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kah_4dh.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kai_4fi.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kb7_071.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kba_wow.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kbo_ndb.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kbz_2t4.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kc0_2t5.sdf
98: ==================== start doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kc1_2t6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kc3_mk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kce_4by.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kcf_jzo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kck_3kc.sdf
98: ==================== end doRoundtrip =========================
98:  True Shuffling: F[Po@SP1](Cl)(Br)I
98: ref = F[Po@SP1](I)(Br)Cl
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: F[Po@SP2](Br)(Cl)I
98: ref = F[Po@SP1](I)(Br)Cl
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
99: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kcx_cql.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kcy_hqy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kds_nhx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kdt_7ha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kdu_nks.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: F[Po@SP3](Cl)(I)Br
98: ref = F[Po@SP1](I)(Br)Cl
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ke1_829.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ke8_eip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kec_3ke.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ked_dab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kee_30b.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
 96/223 Test  #98: test_shuffle_1 ...................   Passed    0.54 sec
test 100
        Start 100: test_shuffle_3
100: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "3"
100: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
100: Environment variables: 
100:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
100:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
100: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kef_dma.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kej_3ej.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kek_3ek.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kf4_b90.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kf7_l9g.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kfa_b91.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kfc_61x.sdf
100:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kfj_yen.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kfx_mcy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kfy_jzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kga_lx9.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kgp_4az.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3khj_c64.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3khv_4al.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki0_g9d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki1_g9f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki2_g9g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki3_g9h.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki4_g9p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki5_g9m.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki6_g9l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki7_g9i.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
99: ref = C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kid_2bs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kiv_aca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kjs_dq1.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kjs_nap.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kkm_gnp.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kkt_0cp.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kku_b95.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kkv_b99.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kl6_443.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3klp_b81.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3km4_22x.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3km8_9di.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmc_403.sdf
99:  True Shuffling: CC(=CCN[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C
99: ref = CC(=CCN[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kme_z59.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmg_538.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmr_eqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmz_eqo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ko0_tfp.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3koh_oio.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3koo_24d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kox_z98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3koy_z97.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kpy_es2.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kqm_es3.sdf
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99:  True Shuffling: Brc1ccc(nc1)NC(=S)N[C@]12C[C@@H]3C[C@H](C[C@@H](C3)C2)C1
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3krl_krl.sdf
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100:  True Shuffling: O[C@H]1C[C@@H](O)C[C@H](O)C1
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ksw_vnf.sdf
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99:  True Shuffling: c1ccc2c(c1)[C@H]1[C@@H]3O[C@@H]3[C@@H]2c2ccccc12
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kvi_fah.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kvj_1x5.sdf
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100:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
100: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
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100: ==================== start doRoundtrip =========================
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100:  True Shuffling: stereo/cyclobutane_D1.smi
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100:  True Shuffling: stereo/razinger_fig7_5_spec.mol
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kwf_b1q.sdf
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100:  True Shuffling: stereo/cyclohexanediol_D2.mol
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100:  True Shuffling: stereo/cyclohexanetriol_D1.mol
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99:  True Shuffling: OC[C@H](O)COP1(=O)O[Pt@]2(N[C@H]3CCCC[C@@H]3N2)O1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kzk_oln.sdf
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100:  True Shuffling: stereo/cyclobutane_D1.mol
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
100: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l1b_635.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
100:  True Shuffling: stereo/cyclobutane_D3.mol
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l1m_hqi.sdf
100: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: CC(=O)O.Oc1nc2nc3c(nc2c(N)n1)c1cccc2cccc3c12
99: ref = Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l1s_z92.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l2u_elv.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l30_dbw.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l3a_625.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l3l_l3l.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/cyclobutane_D4.mol
99: ==================== start doRoundtrip =========================
100: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l3m_a92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l3n_lsw.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/incorrect_canon1.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l4t_bj1.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
100: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l4u_dsk.sdf
99: ref = CC1CCC2(CC1)CCCCC2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l4v_ktl.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/incorrect_canon2.mol
100: ==================== end doRoundtrip =========================
99: ref = C1CCC2C(C1)CC1(C2)CCC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l4x_nr3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l4y_nr4.sdf
99: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
 97/223 Test  #99: test_shuffle_2 ...................   Passed    0.63 sec
test 101
        Start 101: test_shuffle_4
101: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "4"
101: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
101: Environment variables: 
101:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
101:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
101: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l54_lxx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l5p_428.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l5s_88x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l5t_956.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l5u_zec.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@H]1C)C)C)C
100: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l7g_m44.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l7k_c2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l8p_0ce.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l8s_bff.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l8v_l8v.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l8x_n4d.sdf
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@@H]1C)C)C)C
100: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l9h_emq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l9l_l9l.sdf
101:  True Shuffling: stereo/razinger_fig7_19_spec1.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l9m_l9m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3l9n_l9n.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3la3_2ft.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lak_kr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lal_krv.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lam_krp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lan_kbt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lau_ofi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lbg_8tx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lbj_ww8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lbk_k23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lbl_mi6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lbz_z89.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lc3_iyx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lc4_lc4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lc5_izx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lcd_bdy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lce_lce.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lco_lc0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ld4_8nx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ldq_3p1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3le8_2b5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3le9_727.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lea_z93.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lff_z83.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lfm_3dt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lfn_a27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lgg_cfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lgp_50x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lhj_lhj.sdf
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lhz_bmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lik_eeg.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [C@@H]1([C@@H]([C@@H]([C@H]1C)C)C)C
100: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lil_eea.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lin_e13.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3liq_e14.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lit_e15.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3liv_e16.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3liw_rup.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_cis.mol
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lix_e17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lj2_iza.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_epi.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lj3_wye.sdf
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@H]1C)C)C
100: ==================== start doRoundtrip =========================
101: ref = C[C@@H]1[C@@H](C)CCC[C@H]1C
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_allo.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ljg_eef.sdf
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@H]([C@H]1C)C)C
101: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ljr_ggc.sdf
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_19_spec2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ljz_la3.sdf
101: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lk1_emc.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_myo.mol
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_19_spec3.mol
101: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lk1_jke.sdf
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lk9_tff.sdf
101: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lka_m4s.sdf
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_19_spec4.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lkh_lt6.sdf
101: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_muco.mol
101: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ll5_ip8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lm0_ebd.sdf
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_19_spec5.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lm1_lec.sdf
101: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
100: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lmp_cek.sdf
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_20_spec1.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lmx_dhb.sdf
101: ref = C[C@H]1[C@H](C)CC[C@@H]([C@@H]1C)C
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ln0_52b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lp0_lp7.sdf
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_neo.mol
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_26_spec1.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lp1_lp8.sdf
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lp2_lp9.sdf
101: ref = C[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpb_nvb.sdf
101: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpf_z77.sdf
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_59_spec1.mol
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_scyllo.mol
101: ref = C[C@@H]1C[C@]2(C[C@H]1C)C[C@H]([C@H](C2)C)C
100: ref = C[C@@H]1[C@@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
101: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpg_z78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpt_723.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpu_976.sdf
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_30.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpu_p03.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lq5_slq.sdf
101: ref = C/C=C/C
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_chiroD.mol
101: ==================== start doRoundtrip =========================
100: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lq8_88z.sdf
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_34.mol
101: ref = C/C=C/C(/C=C/C)C
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_35.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lqs_psz.sdf
101: ref = C/C=C/C=C/C
100: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_36.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ls8_ajz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lsw_4mp.sdf
101: ref = CC(/C=C/C(O)C)O
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lt5_blq.sdf
100:  True Shuffling: stereo/inositol_chiroL.mol
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_37.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ltn_pdq.sdf
100: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@H]([C@H]1C)C)C
101: ref = CCC(C(/C=C/C(C(CC)CC)C)C)CC
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_38.mol
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lu6_imx.sdf
100: ==================== end doRoundtrip =========================
100:  True Shuffling: O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lu7_ipx.sdf
100: ref = O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H]([C@H]1O)O)O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lu8_iqx.sdf
101: ref = CC(/C(=C(\C(F)C)/C(F)C)/C(F)C)F
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_39.mol
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lvp_pdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lvv_lbp.sdf
101: ref = CC(C(=C=C(C(F)C)C(F)C)C(F)C)F
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lw0_ccx.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lxg_z73.sdf
100: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lxk_mi1.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ly2_z72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lyi_ocs.sdf
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lz6_a0d.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lzb_iti.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
 98/223 Test #101: test_shuffle_4 ...................   Passed    0.12 sec
test 102
        Start 102: test_shuffle_5
102: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "5"
102: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
102: Environment variables: 
102:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
102:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
102: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m02_2cf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m08_rar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m0w_p77.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m11_aki.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m1o_cjz.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m1s_dw1.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 12 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m1z_bmp.sdf
 99/223 Test #100: test_shuffle_3 ...................   Passed    0.29 sec
test 103
        Start 103: test_smiles_1
103: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilestest" "1"
103: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
103: Environment variables: 
103:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
103:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
103: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2j_f5m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2n_j74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2w_l8i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2x_bex.sdf
102:  True Shuffling: stereo/canon1.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m35_m35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m3x_js7.sdf
103: testTetrahedralStereo1()
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m3z_3f5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m42_hgf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m50_ebt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m51_yr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m5c_pa9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m5e_jdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m67_e36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m6f_bjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m6g_lo3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m8q_djz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m8r_hxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m8s_hxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m96_e38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m98_e02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ma3_01i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mag_3ma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3max_llx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mb7_14i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mbl_lsg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mbm_717.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mct_3mc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mcy_zh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdc_gtf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdm_fjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdr_gjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdv_cl6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3me3_3sz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3me6_cge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mee_t27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mf5_hjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mfh_dtp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mfv_z70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mfw_b3u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mg3_ech.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhj_m3f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhl_j71.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhm_j75.sdf
103: smiles: C[C@H](O)N
103: OBTetrahedralStereo(center = 1, viewFrom = 0, refs = H 3 2 , clockwise)
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: C[C@H](O)N
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhw_abv.sdf
103: canSmiles: C[C@H](O)N	
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: Cl[C@@](CCl)(I)Br
103: mol.NumAtoms = 6
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 6, refs = 2 4 5 , clockwise)
103: canSmiles: ClC[C@](I)(Br)Cl	
103: mol.NumAtoms = 6
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 4 6 5 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: Cl/C=C/F
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 3, end = 2, refs = 4 H 1 H , shape = U)
103: canSmiles: F/C=C/Cl	
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 2, end = 3, refs = 1 H 4 H , shape = U)
103: .
103: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mj1_614.sdf
100/223 Test #103: test_smiles_1 ....................   Passed    0.06 sec
test 104
        Start 104: test_smiles_2
104: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilestest" "2"
104: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
104: Environment variables: 
104:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
104:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
104: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mj2_mjg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mj5_grm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjl_2ai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjm_ncd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjn_rnp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjw_wyf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjx_bit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mke_cb4.sdf
101/223 Test  #25: test_canonstable_1 ...............   Passed    7.89 sec
test 105
        Start 105: test_smiles_3
105: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilestest" "3"
105: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
105: Environment variables: 
105:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
105:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
105: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mkn_dnb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mkp_sgn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mks_c1c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ml2_su0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ml8_ml8.sdf
104: Testing generic smiles <-> canonical smiles
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ml9_ml9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mla_jjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mlb_ljz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mmx_kjz.sdf
105: Testing generic smiles <-> canonical smiles
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mna_dwh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mnp_dex.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mnr_sd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mo2_e67.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mo5_e72.sdf
102: ref = C[C@H](C[C@H](O)C)C[C@@H](O)C	canon1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3moo_vea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mow_b2b.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mpf_n2d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mpm_5lk.sdf
102: ref = C[C@@H](C[C@@H](O)C)C[C@@H](O)C	canon2
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mq4_z99.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mqe_416.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon3.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mqf_20x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mrt_12e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mrv_16f.sdf
102: ref = C[C@@H]1CC[C@H](CC1)C	canon3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mrx_17s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms2_18s.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms3_anl.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon4.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms4_21n.sdf
102: ref = C[C@@H]1CC[C@@H](CC1)C	canon4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms5_oga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms5_ree.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms7_22s.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon5.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms9_ms9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3msa_b3r.sdf
102: ref = C[C@@H]1CC[C@]2(CC1)CC[C@@H](CC2)C	canon5
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3msc_24s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mss_ms7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3msx_mgf.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon6.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mt7_16o.sdf
102: ref = C[C@@H]1C[C@H](O)C[C@@H](C1)O	canon6
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mt8_17t.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon7.mol
102: ref = C[C@@H]1C[C@@H](O)C[C@@H](C1)O	canon7
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mt9_18o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mta_22o.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon8.mol
102: ref = C[C@]12CCCC[C@]2(C)CCCC1	canon8
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtb_23v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtd_25e.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtf_a3f.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon9.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mth_mpb.sdf
102: ref = C[C@@H]([C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@@H](CC1)C	canon9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtl_fef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mu6_bxl.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mv5_xfe.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon10.mol
102: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon10
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvh_wfe.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon11.mol
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C	canon11
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvl_38p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvm_39p.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon12.mol
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon12
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvr_cm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvx_bhz.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvz_bhn.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon13.mol
102: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon13
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mw1_mih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mwi_b25.sdf
105: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3my1_rfz.sdf
102: ==================== start doRoundtrip =========================
105: mol.NumAtoms = 19
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
105: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
105: mol.NumAtoms = 19
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon14.mol
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1O)O	canon14
105: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
105: mol.NumAtoms = 23
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
105: mol.NumAtoms = 23
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3my6_my6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3myg_eml.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon15.mol
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
105: mol.NumAtoms = 18
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 7, refs = H 4 6 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 11, end = 10, refs = 13 12 7 H , shape = U)
102: ref = C[C@@H]1[C@H](O)[C@@H]([C@@H]1O)C	canon15
105: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
105: mol.NumAtoms = 18
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 4, refs = H 6 7 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 7 H 13 12 , shape = U)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC[C@H](O1)CC[C@@]12CCCO2
105: mol.NumAtoms = 11
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
105: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
105: mol.NumAtoms = 11
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CN1CCC[C@H]1c2cccnc2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3myq_e27.sdf
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
105: canSmiles: CN1CCC[C@H]1c1cccnc1	
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mzb_bhr.sdf
105: mol.NumAtoms = 11
104: smiles: F[Po@SP1](Cl)(Br)I
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
105: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
105: mol.NumAtoms = 11
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
105: mol.NumAtoms = 21
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
104: canSmiles: F[Po@SP1](I)(Br)Cl	
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
104: .
104: 
104: Testing generic smiles <-> canonical smiles
104: smiles: F[Po@SP2](Br)(Cl)I
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
104: canSmiles: F[Po@SP1](I)(Br)Cl	
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
104: .
104: 
104: Testing generic smiles <-> canonical smiles
104: smiles: F[Po@SP3](Cl)(I)Br
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
104: canSmiles: F[Po@SP1](I)(Br)Cl	
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
104: .
104: 
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon16.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n0n_p9b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n0t_opy.sdf
105: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
105: mol.NumAtoms = 21
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
105: mol.NumAtoms = 17
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n1v_3n1.sdf
105: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
105: mol.NumAtoms = 17
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
102: ref = C[C@@H]1C[C@H](C1)C[C@](C[C@@H]1C[C@@H](C1)C)(C[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)C	canon16
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n1w_3n2.sdf
105: mol.NumAtoms = 31
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
105: mol.NumAtoms = 31
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: .
105: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2e_osa.sdf
102/223 Test #104: test_smiles_2 ....................   Passed    0.07 sec
test 106
        Start 106: test_spectrophore_1
106: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "1"
106: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
106: Environment variables: 
106:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
106:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
106: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2p_ayx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2r_xjh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2u_d3x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2v_jt5.sdf
103/223 Test #105: test_smiles_3 ....................   Passed    0.06 sec
test 107
        Start 107: test_spectrophore_2
107: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "2"
107: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
107: Environment variables: 
107:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
107:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
107: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2y_tef.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon17.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n31_fca.sdf
102: ref = C[C@@H]1CC[C@H](CC1)C1CC[C@H](CC1)C[C@H](C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@@H](CC1)C	canon17
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n33_aes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n36_gla.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n3g_935.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n45_3n3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n45_zol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n46_3n5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n49_3n4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n59_3ds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n5h_go0.sdf
104/223 Test #107: test_spectrophore_2 ..............   Passed    0.04 sec
test 108
        Start 108: test_spectrophore_3
108: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "3"
108: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
108: Environment variables: 
108:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
108:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
108: Test timeout computed to be: 1500
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n5j_go1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n5p_xfm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n5v_xfh.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon18.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n5y_xfl.sdf
102: ref = CC[C@@](C[C@@H]1C[C@H](C1)C)(C[C@@H]1C[C@@H](C1)C)C	canon18
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n6k_bfh.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon19.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n7a_fa1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n7o_n7o.sdf
102: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon19.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n7r_n7r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n7s_3n6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n7s_3n7.sdf
102: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n86_rjp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n87_n87.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n8k_d1x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n8n_n88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n9r_td3.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n9s_td4.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon20.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3na0_2dc.sdf
102: ref = C[C@H](C[C@](C[C@H](Cl)C)(C[C@@H](Cl)C)C[C@@H](O)C)O	canon20
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3na1_hcd.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon21.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nal_dbk.sdf
102: ref = O[C@H](C[C@](C[C@H](C[C@H](O)C)O)(C[C@@H](C[C@H](O)C)O)C[C@@H](C[C@@H](O)C)O)C[C@@H](O)C	canon21
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nam_otk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nam_pty.sdf
105/223 Test #108: test_spectrophore_3 ..............   Passed    0.04 sec
test 109
        Start 109: test_spectrophore_4
109: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "4"
109: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
109: Environment variables: 
109:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
109:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
109: Test timeout computed to be: 1500
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon22.mol
102: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon22
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nan_hz1.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon23.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nay_mp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nb5_r21.sdf
102: ref = C[C@@H]1[C@H]([C@@H]1C)C	canon23
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nbe_dld.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon24.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nbk_pns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nbp_jgz.sdf
102: ref = C[C@]12CCCC[C@@]2(C)CC2(C1)CCC2
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans1.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nbw_tr4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nc2_quz.sdf
102: ref = C/C=C\C[C@H](C/C=C/C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nc4_26o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nc6_piw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nc9_tr3.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nca_tr2.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ncz_3nc.sdf
102: ref = C/C=C/C[C@H](C/C=C/C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans3.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nd7_pny.sdf
102: ref = C/C=C/1\CC/C(=C\C)/CC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ndm_3nd.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans4.mol
102: ref = C/C=C/1\CC/C(=C/C)/CC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3neo_g24.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans5.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nf6_imv.sdf
102: ref = C/C=C/1\CC[C@]2(CC1)CC/C(=C\C)/CC2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nf7_ciw.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans6.mol
102: ref = C/C=C/1\C/C(=C/O)/C/C(=C\O)/C1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nf8_cdq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nf9_cd9.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans7.mol
102: ref = C/C=C/1\C/C(=C\O)/C/C(=C\O)/C1
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans8.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nfa_cbj.sdf
102: ref = C/C=C/1\CC[C@H](CC1)[C@H]([C@@H]1CC/C(=C\C)/CC1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nfb_oae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nfr_ewq.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhf_vvv.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans9.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhj_a2z.sdf
102: ref = C/C=C/1\C(=C\C)\C1=C/C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans15.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhk_vap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhl_ytr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhp_hgz.sdf
102: ref = C/C=C\C=C\C[C@@](C/C=C\C=C\C)(C/C=C\C=C/C)C/C=C/C=C/C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhr_rzw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhu_m42.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhw_zxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nhy_a7b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nif_nif.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nj1_pyv.sdf
102: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nj4_afx.sdf
102:  True Shuffling: stereo/canon_cistrans16.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3njo_p2m.sdf
102: ref = C/C=C(/[C@@H]1CC[C@H](CC1)C)\[C@@H]1CC[C@@H](CC1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3njq_njq.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3njy_8xq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nko_nko.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nkq_nkq.sdf
102: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nkr_nkr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nlb_5be.sdf
106/223 Test #109: test_spectrophore_4 ..............   Passed    0.06 sec
test 110
        Start 110: test_spectrophore_5
110: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "5"
110: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
110: Environment variables: 
110:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
110:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
110: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nld_jss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nlt_3xf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nlu_3xb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nlv_3xa.sdf
107/223 Test #102: test_shuffle_5 ...................   Passed    0.28 sec
test 111
        Start 111: test_squareplanar_1
111: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "1"
111: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
111: Environment variables: 
111:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
111:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
111: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nly_3xc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nly_h4b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nlz_3xd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nm0_3xe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nmq_7pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nn7_bxa.sdf
111: end
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nnu_edb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nnv_437.sdf
108/223 Test #111: test_squareplanar_1 ..............   Passed    0.01 sec
test 112
        Start 112: test_squareplanar_2
112: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "2"
112: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
112: Environment variables: 
112:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
112:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
112: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nny_59r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nod_sci.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nox_6a5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3npr_ps7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nq9_oca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nr9_nr9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nri_dh7.sdf
112: end
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nrm_nrm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ns1_pm6.sdf
109/223 Test #112: test_squareplanar_2 ..............   Passed    0.01 sec
test 113
        Start 113: test_squareplanar_3
113: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "3"
113: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
113: Environment variables: 
113:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
113:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
113: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ns9_ns9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nsg_tam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nsq_chz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nt5_ise.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ntb_t1n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nte_i3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ntg_d72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ntp_rzd.sdf
113: This error can be ignored
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nty_5p3.sdf
113: ==============================
113: *** Open Babel Error  in SetConfig
113:   OBSquarePlanarStereo::SetConfig : found 0 reference ids, should be 4.
113: end
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ntz_3tz.sdf
110/223 Test #113: test_squareplanar_3 ..............   Passed    0.01 sec
test 114
        Start 114: test_squareplanar_4
114: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "4"
114: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
114: Environment variables: 
114:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
114:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
114: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nu0_3tu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nun_jmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nup_3nu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nus_jnz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nuu_joz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nux_3nv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nuy_jpz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nvz_i3a.sdf
114: end
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nw2_mpw.sdf
111/223 Test #114: test_squareplanar_4 ..............   Passed    0.01 sec
test 115
        Start 115: test_squareplanar_5
115: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "5"
115: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
115: Environment variables: 
115:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
115:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
115: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nw5_lgx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nw6_lgw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nw7_lgv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nw9_637.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nwb_659.sdf
115: end
112/223 Test #115: test_squareplanar_5 ..............   Passed    0.01 sec
test 116
        Start 116: test_stereo_1
116: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "1"
116: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
116: Environment variables: 
116:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
116:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
116: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nwe_662.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nww_3nw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nx7_nhk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nxo_d2b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nxt_d2e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nxv_d2f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nxx_d2d.sdf
113/223 Test #110: test_spectrophore_5 ..............   Passed    0.05 sec
114/223 Test #116: test_stereo_1 ....................   Passed    0.01 sec
test 117
        Start 117: test_stereo_2
117: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "2"
117: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
117: Environment variables: 
117:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
117:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
117: Test timeout computed to be: 1500
test 118
        Start 118: test_stereo_3
118: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "3"
118: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
118: Environment variables: 
118:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
118:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
118: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nxy_d2h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ny4_smx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ny6_v30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ny7_sxm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ny8_jrz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ny9_jsz.sdf
115/223 Test #117: test_stereo_2 ....................   Passed    0.01 sec
test 119
        Start 119: test_stereo_4
119: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "4"
119: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
119: Environment variables: 
119:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
119:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
119: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nya_jtz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nyx_tz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nz1_3ny.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nz6_d2j.sdf
116/223 Test #118: test_stereo_3 ....................   Passed    0.01 sec
test 120
        Start 120: test_stereo_5
120: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "5"
120: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
120: Environment variables: 
120:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
120:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
120: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nz9_d2k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nzb_d2n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nzc_d2o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nzs_nzs.sdf
117/223 Test #119: test_stereo_4 ....................   Passed    0.01 sec
test 121
        Start 121: test_stereo_6
121: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "6"
121: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
121: Environment variables: 
121:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
121:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
121: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nzu_nzu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o02_jn3.sdf
118/223 Test #120: test_stereo_5 ....................   Passed    0.01 sec
test 122
        Start 122: test_stereoperception_1
122: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "1"
122: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
122: Environment variables: 
122:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
122:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
122: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o0g_3o0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o0j_3oj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o0u_o47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o15_3nm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o15_ifp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o1d_g72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o23_mqy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o2f_p54.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o2k_qrp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o2m_46a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o2n_mzx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o2x_3o2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o2y_plm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o3j_bb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o50_lje.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o51_ljf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o57_zg2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o5r_fk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o5x_jzg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o64_786.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o6j_hqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o6o_94m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o73_o73.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o76_gtb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o7u_o7u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o8a_o8a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o8g_o8g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o8h_o8h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o8i_m1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o95_01t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o96_iqo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o99_k13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9a_k14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9b_k2a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9c_k20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9d_k19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9e_a60.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9f_k2d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9g_f53.sdf
121: structure perception1
121: structure perception2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9h_k2e.sdf
121: structure perception3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9i_a61.sdf
121: structure perception4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9j_rp6.sdf
121: structure perception5
122: N[C@H](F)O	
122: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9k_ett.sdf
121: structure perception6
121: structure perception7
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9l_lpn.sdf
121: structure perception8
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9m_bez.sdf
119/223 Test #122: test_stereoperception_1 ..........   Passed    0.07 sec
test 123
        Start 123: test_stereoperception_2
123: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "2"
123: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
123: Environment variables: 
123:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
123:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
123: Test timeout computed to be: 1500
121: structure perception9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3o9v_10t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oad_lpo.sdf
121: structure perception10
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oag_lpq.sdf
121: structure perception11
121: structure perception12
121: structure perception13
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oaw_oaw.sdf
121: structure perception14
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oax_id3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oc0_b2q.sdf
121: structure perception15
121: structure perception16
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ocb_xm1.sdf
121: structure perception17
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3occ_dih.sdf
121: structure perception18
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ocg_ocg.sdf
121: structure perception19
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3och_2mx.sdf
121: structure perception20
121: Razinger paper, fig. 1: structure a
121: Razinger paper, fig. 1: structure b
121: Razinger paper, fig. 1: structure c
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ocw_3am.sdf
121: Razinger paper, fig. 1: structure d
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ocx_2am.sdf
121: Razinger paper, fig. 1: structure e
121: Razinger paper, fig. 1: structure f
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ocz_sra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3odk_odk.sdf
121: Razinger paper, fig. 1: structure g
121: Razinger paper, fig. 1: structure h
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oe4_610.sdf
121: Razinger paper, fig. 1: structure i
121: Razinger paper, fig. 1: structure j
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oe5_611.sdf
121: Razinger paper, fig. 1: structure k
121: Razinger paper, fig. 1: structure l
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oe8_itd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oel_dgl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oem_oem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ogq_ab1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ogt_fmv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ohl_ohl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oho_z79.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oi7_oi7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oia_a31.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oil_vz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ojf_imj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ojs_xjs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oju_ssj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3okh_okh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oki_oki.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oku_vz4.sdf
121: Razinger paper, fig. 1: structure m
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ol5_saw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3olf_olf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ols_est.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3olt_acd.sdf
123: F/C=C/F	
123: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3olu_1ag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3omc_2mr.sdf
120/223 Test #123: test_stereoperception_2 ..........   Passed    0.06 sec
test 124
        Start 124: test_stereoperception_3
124: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "3"
124: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
124: Environment variables: 
124:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
124:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
124: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3omk_omk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3omm_omm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3omo_wv7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3omp_w14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3omq_w23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3omu_ibd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oob_kdh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oof_oof.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ook_ook.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oom_507.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oot_ssr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3op5_reb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3opm_lui.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oq1_3oq.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oqk_s52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3orn_3or.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oro_ags.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3os3_3os.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3os8_kn0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3osa_kn3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3osh_oin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ot3_22k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ot8_mi5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3otq_mzl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ouh_014.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oui_42z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ovm_mzc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ovr_5sp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ovv_1sb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ovv_bud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ovz_o96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ow3_smy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3owd_mey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3owh_52x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3owj_1el.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3owk_18e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3owl_19e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3own_3ox.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3owp_2sb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3owx_xra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ox1_695.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ox2_79x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ox3_4x4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oxi_syy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oxt_3sb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oy1_589.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oy3_xy3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oya_rlt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oyc_zzw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oyd_zzv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oye_zyy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oyf_zyp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oyg_zyo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oyh_zyn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oyl_zzx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oz0_3oz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3oz1_bmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozg_ssi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozj_bgv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozr_ozr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozs_ozs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozt_ozz.sdf
124: F[C@@](I)(Br)Cl	
124: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozu_x89.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozv_ecn.sdf
124: F[C@H](Br)Cl	
124: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozw_dgg.sdf
124: FC(Br)Cl	
124: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ozw_kkk.sdf
124: FC(Br)Cl	
124: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p0g_p0g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p0m_4sb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p0p_nnf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p0q_nnl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p1f_3pf.sdf
121/223 Test #124: test_stereoperception_3 ..........   Passed    0.06 sec
test 125
        Start 125: test_stereoperception_4
125: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "4"
125: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
125: Environment variables: 
125:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
125:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
125: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p2b_p2b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p2v_doy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p3g_3p3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p3r_3m1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p3s_3m2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p3t_3m3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p3u_3m4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p4w_dsf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p50_plc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p5k_p5k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p5r_fgg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6d_zgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6e_zgc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6f_fbz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6n_dso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6o_etg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6p_a6b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6t_sbf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p6x_c3q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p76_p76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p78_p78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p79_p79.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p7a_p7a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p7b_p7b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p88_p88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p89_89p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p8h_p8h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p8n_l4t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p8o_l5t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p8p_ln6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p8x_zyd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3p9j_p9j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pa3_c70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pa4_c72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pa5_c73.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pa9_pj7.sdf
121: Razinger paper, fig. 1: structure n
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pa9_pmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pah_xde.sdf
121: Razinger paper, fig. 1: structure o
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pax_3mb.sdf
121: Razinger paper, fig. 1: structure p
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pb8_ahn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pba_zxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pbb_pbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pbl_etq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pbz_f02.sdf
122/223 Test #121: test_stereo_6 ....................   Passed    0.24 sec
test 126
        Start 126: test_tautomer_1
126: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "1"
126: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
126: Environment variables: 
126:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
126:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
126: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pcb_3hb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pce_3hp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pcf_fhb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pch_chb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pci_ihb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pcj_ino.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pck_nno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pcu_lx8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pcw_fbf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pd4_a3g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pd8_ha7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pd9_ha5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pdc_zyi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pdj_3pj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pdq_kc6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pe1_3ng.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pe2_e1b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pe6_zyh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pec_zyg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ped_zyf.sdf
123/223 Test #125: test_stereoperception_4 ..........   Passed    0.06 sec
test 127
        Start 127: test_tautomer_2
127: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "2"
127: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
127: Environment variables: 
127:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
127:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
127: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3peq_3eq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pfp_035.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pfp_036.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pgi_f41.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pgl_rzx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pgq_gy3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3phe_c9a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3phj_dhk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pi5_3p5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pix_027.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3piz_03c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pj1_lhl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pj2_04k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pj3_04l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pj8_404.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pjc_pjc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pka_y02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pkc_y08.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pkd_y10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pld_f90.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pll_f06.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3plz_470.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pm4_f5n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pml_1gc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pmu_f7l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pmy_41l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pn1_ivh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pn3_pn3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pne_8ax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pnf_8bx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pnh_8cx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3po4_dds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3poo_s69.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pp0_03q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pp1_izg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ppk_fni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ppm_jg1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ppo_dck.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pr2_7mn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pre_3re.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3prf_fp3.sdf
124/223 Test #126: test_tautomer_1 ..................   Passed    0.05 sec
test 128
        Start 128: test_tautomer_3
128: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "3"
128: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
128: Environment variables: 
128:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
128:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
128: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pri_fp4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3prz_3rz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ps1_zh2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ps2_zh4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ps3_l53.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ps6_3ps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3psb_sm6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3psy_rb9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ptg_932.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ptq_nfg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pup_os1.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 18 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 26 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pvg_k68.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pvu_qrw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pvw_qrx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pwd_cz0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pwh_zma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3px8_jp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3px9_jp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pxk_pxk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pyb_a3c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pyh_3yh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pyy_3yy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pz3_pz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pz4_3pz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3pze_cfk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q0t_lge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q0u_ll3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q0v_ll4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q0w_ll5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q1m_m4a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q2f_oam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q2g_qgf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q2h_qhf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q2z_d9a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q30_d61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q32_j2i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q3d_puy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q3k_d90.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q3s_o8b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q3t_rx0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q43_d66.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q44_d50.sdf
125/223 Test #127: test_tautomer_2 ..................   Passed    0.07 sec
test 129
        Start 129: test_tautomer_4
129: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "4"
129: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
129: Environment variables: 
129:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
129:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
129: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q4b_rx5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q4c_rsw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q4u_ldn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q5h_rx6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q5r_kan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q5s_ach.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q6w_q6w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q6x_zz7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q6y_s47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q77_2hy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q7d_npx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3q7j_fbo.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qj9_qj9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qjz_qjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qk0_qk0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qk5_qk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qkd_hi0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qkk_smh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qkl_smr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qkm_sm9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qlf_pd5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qlr_qlr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qls_55v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qmo_ns4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qna_bio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qoa_3qo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qp0_ni8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qpg_3qp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qpj_n4i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qpn_pfk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qpo_pfr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qpp_pfw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qqp_s05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qqs_17c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qqs_dpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qqu_01p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qri_919.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qrk_9dp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qrm_nk7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qro_dtd.sdf
126/223 Test #129: test_tautomer_4 ..................   Passed    0.07 sec
test 130
        Start 130: test_tautomer_5
130: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "5"
130: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
130: Environment variables: 
130:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
130:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
130: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qro_nk9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qrs_nk8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qrt_x14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qs8_17d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qsa_ta7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qsb_743.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qt0_486.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qtf_05s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qti_3qt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qu8_3qu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3que_3ff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qup_lun.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qv6_qv6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qv7_qv7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qv8_s62.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qvv_3qv.sdf
127/223 Test #128: test_tautomer_3 ..................   Passed    0.12 sec
test 131
        Start 131: test_tautomer_6
131: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "6"
131: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
131: Environment variables: 
131:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
131:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
131: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qx3_evp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qxx_8ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qyk_ie2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qyl_7me.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qyo_q24.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qyw_6pb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3qyz_z8b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r01_une.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r02_unm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r04_unq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r0f_ag7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r0i_c0k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r0t_fu9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r1n_05b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r21_d36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r22_d37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r30_cd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r33_6me.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r49_q8a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r4g_4so.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r4o_fu3.sdf
128/223 Test #106: test_spectrophore_1 ..............   Passed    0.65 sec
test 132
        Start 132: test_tautomer_7
132: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "7"
132: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
132: Environment variables: 
132:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
132:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
132: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r4p_fu7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r54_fp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r57_n3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r58_nps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r59_3ao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r5m_mlo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r5q_fu1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r6c_17n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r6t_lu1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r7l_pal.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r7o_m61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r7q_fav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r7r_faz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r88_14f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r8a_hig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r8h_zom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r8i_xcx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r91_06h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3r92_06j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rad_nfx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ral_04z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ras_dcv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ras_fm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rba_cod.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rcf_bs4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rci_m3i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rcj_3rc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rck_1fp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rcl_5ao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rd9_msy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rda_mio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rdb_5mz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rdd_ea4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rdp_nmf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3re4_to1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rey_xac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rfm_cff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rga_lsb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rgf_bax.sdf
129/223 Test #130: test_tautomer_5 ..................   Passed    0.05 sec
test 133
        Start 133: test_tautomer_8
133: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "8"
133: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
133: Environment variables: 
133:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
133:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
133: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rgt_ez4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rh4_ddg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rhk_m97.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rhx_3rh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ric_cis.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rik_3ri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ril_3rk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rin_i2o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rix_923.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rji_6cf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rjw_ciq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rke_mzz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rlb_vib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rlj_rlj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rll_rll.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rm4_3rm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rm6_18z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rm8_rm8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rm9_613.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rme_rme.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rmf_20z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rn6_iga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ro4_lj9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ro5_lgh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ro7_tdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3roc_29a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rog_t3p.sdf
130/223 Test #131: test_tautomer_6 ..................   Passed    0.06 sec
test 134
        Start 134: test_tautomer_9
134: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "9"
134: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
134: Environment variables: 
134:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
134:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
134: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3roy_22z.sdf
131/223 Test #132: test_tautomer_7 ..................   Passed    0.06 sec
test 135
        Start 135: test_tautomer_10
135: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "10"
135: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
135: Environment variables: 
135:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
135:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
135: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rpo_24z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rps_4b0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rpv_26z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rqj_y2b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rqk_x2c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rqo_x2d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rqp_x2e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rr3_flr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rr4_hrd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rsv_3rs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rti_fmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rtp_34i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rts_klg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rtt_klh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rut_59g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ruu_37g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rv6_rva.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rv6_vae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rv7_rvb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rv8_rvc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rv9_rvd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rvf_034.sdf
132/223 Test #133: test_tautomer_8 ..................   Passed    0.06 sec
test 136
        Start 136: test_tautomer_11
136: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "11"
136: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
136: Environment variables: 
136:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
136:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
136: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rvg_17p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rvh_hq2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rwb_4pl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rwp_abq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rwq_3rw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rx2_slo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rye_unr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ryz_ryz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rz1_rz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rz7_rz7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3rze_5eh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s04_ram.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s0k_03f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s0n_0bb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s1g_ite.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s1h_56z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s2a_2nq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s2v_3hu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s3g_tlt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s3i_cq0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s3n_dlu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s41_s41.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s42_mla.sdf
133/223 Test #134: test_tautomer_9 ..................   Passed    0.06 sec
test 137
        Start 137: test_tautomer_12
137: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "12"
137: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
137: Environment variables: 
137:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
137:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
137: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s4f_pzr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s4j_unv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s4q_nk0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s7a_684.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s7b_nh5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s7l_591.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s7o_lbv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s7s_exm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s92_jq1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s9s_m0t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s9t_e49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3s9z_i92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sa0_nra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sa3_23x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sa4_f72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sa6_f71.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sa7_55a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sa8_k83.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sa9_a68.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3saa_77f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sab_f78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sac_af8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sad_040.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sap_e2i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sax_e50.sdf
134/223 Test #135: test_tautomer_10 .................   Passed    0.06 sec
test 138
        Start 138: test_tautomer_13
138: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "13"
138: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
138: Environment variables: 
138:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
138:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
138: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3say_oft.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3saz_043.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sb0_i93.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sc1_3s1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3scs_glf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3scu_ce5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3scz_hpa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sd0_tsk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sd5_sd5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sdf_ltc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sdg_3se.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sdv_911.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sdx_gcy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sec_pfu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sfc_s53.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sff_0di.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sfh_1di.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sfi_3sf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sfk_d67.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sgt_p09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sgv_2bj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sgx_0fw.sdf
135/223 Test #136: test_tautomer_11 .................   Passed    0.06 sec
test 139
        Start 139: test_tautomer_14
139: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "14"
139: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
139: Environment variables: 
139:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
139:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
139: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sgy_06w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sh0_sax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sh2_5dr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sh7_bb0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3she_i85.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3shy_5fo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3shz_5co.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sie_5bo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sjf_jrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sjg_sdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sjt_5ab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sjx_qrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sk2_gri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ska_053.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3skc_br2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ske_054.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3skh_058.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3skk_4u7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sl4_jn4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sl5_j25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sl6_jn8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sl8_jn7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3slh_gpj.sdf
136/223 Test #137: test_tautomer_12 .................   Passed    0.06 sec
test 140
        Start 140: test_tautomer_15
140: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "15"
140: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
140: Environment variables: 
140:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
140:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
140: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sls_77d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sm0_aek.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3smi_qdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3smj_fdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3smk_cw7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sml_fw1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3smm_fja.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3smn_fc7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3smq_tdu.sdf
137/223 Test #138: test_tautomer_13 .................   Passed    0.06 sec
test 141
        Start 141: test_tautomer_16
141: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "16"
141: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
141: Environment variables: 
141:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
141:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
141: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3smr_np7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sms_rnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sn5_k2b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sn7_540.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sni_546.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sor_o58.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sos_o61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sp3_suc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sp5_cx7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sp7_03b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sp9_il2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3spf_b50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3spw_t7m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sqp_3j8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sqq_99z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sqy_q11.sdf
138/223 Test #139: test_tautomer_14 .................   Passed    0.06 sec
test 142
        Start 142: test_tautomer_17
142: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "17"
142: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
142: Environment variables: 
142:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
142:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
142: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sr4_tt8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sr5_q12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sr6_mte.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sr6_rmo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3srb_28s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3src_28n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3srq_q19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3srr_q20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3srs_m23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sru_q26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3srv_s19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3srw_q27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ssj_fnu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ssn_mvi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3st6_rve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3std_mq0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3str_3li.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3su9_epz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sv3_5si.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3svh_krg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3svj_4li.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3svp_jk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3svq_jk4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sw7_19k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sw8_5li.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3swi_upn.sdf
139/223 Test #140: test_tautomer_15 .................   Passed    0.06 sec
test 143
        Start 143: test_tautomer_18
143: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "18"
143: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
143: Environment variables: 
143:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
143:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
143: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sww_kxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3swz_tok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sx0_sx0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3sx4_kxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3szc_dcq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t03_3t0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t07_09c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t0l_1ct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t0m_2ct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t0t_i30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t11_3t1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t19_5ma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t1d_td1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t1l_mqt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t1m_dqt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t2d_p6f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t2v_kkj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t39_skm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t3m_rc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t3s_9pl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t3y_md6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t40_3rg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t42_3t4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t44_igp.sdf
140/223 Test #141: test_tautomer_16 .................   Passed    0.06 sec
test 144
        Start 144: test_tautomer_19
144: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "19"
144: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
144: Environment variables: 
144:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
144:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
144: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t4h_md5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t4j_zip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t4k_emu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t4l_zea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t4o_wa2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t4t_wa1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t4v_md3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t55_4rg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t5i_far.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t67_caq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t6i_nc8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t6i_nc9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t6i_z82.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t7m_udp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t7p_7sp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t7q_rb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t83_sg5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t8m_3t8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t8v_btj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t8x_t8x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t8x_uli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t9c_ihp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t9e_i7p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3t9i_3t9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3taj_nbo.sdf
141/223 Test #142: test_tautomer_17 .................   Passed    0.06 sec
test 145
        Start 145: test_tautomer_20
145: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "20"
145: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
145: Environment variables: 
145:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
145:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
145: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tam_m06.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tbg_rtz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tc5_3t5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tcp_ckj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tct_3mi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tcz_r2z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3td8_d2r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tda_pn0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tdb_3tb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tdc_0eu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tdt_26p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3te7_te7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3teh_dah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tem_6a1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfj_thg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfn_2cj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfp_03l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfq_07m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfr_f3a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfs_fha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfu_pl8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tfv_2cn.sdf
142/223 Test #143: test_tautomer_18 .................   Passed    0.06 sec
test 146
        Start 146: test_tautomer_21
146: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "21"
146: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
146: Environment variables: 
146:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
146:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
146: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tg6_0mm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tge_tge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tgg_0h3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tgm_3tg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3th8_th9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3th9_9y9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3thb_3ta.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tib_lvo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tj2_tj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tjc_0tp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tjd_6tp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tjp_13k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tjs_d0r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tk5_d1q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tk6_d46.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tkh_07s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tki_s25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tkm_gw0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tl1_jro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tl5_980.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tlb_dsz.sdf
143/223 Test #144: test_tautomer_19 .................   Passed    0.06 sec
test 147
        Start 147: test_tautomer_22
147: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "22"
147: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
147: Environment variables: 
147:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
147:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
147: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tlc_7md.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tll_62d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tm0_b31.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tmz_06x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tn8_f18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tod_xxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tp0_fo5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tru_isj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tsk_qeg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tt0_07j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tt4_e1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tti_kbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ttj_jbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ttr_lqz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ttz_07n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tu1_07g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tu9_5mm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tub_fpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tuc_fpw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tud_fpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tuh_tuh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tuw_pza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tv4_tv4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tv5_rcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tv6_b0r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tv7_07q.sdf
144/223 Test #145: test_tautomer_20 .................   Passed    0.06 sec
test 148
        Start 148: test_tautomer_23
148: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "23"
148: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
148: Environment variables: 
148:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
148:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
148: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tv8_dgj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tvc_e3p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tvq_dqh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tvw_07h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3twd_gob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3twj_07r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tx9_3rn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3txo_07u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ty0_082.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ty3_ggg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tyl_axw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tym_08r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tyn_cxw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tyo_dxw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tyq_hi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tyv_hi3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tz3_b36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tz4_03h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tz7_aqb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tz8_aqm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tz9_aqu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tzb_aa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tzm_085.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tzs_phu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tzv_hex.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3tzv_lsc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u03_488.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u0p_und.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u0x_gti.sdf
145/223 Test #146: test_tautomer_21 .................   Passed    0.06 sec
test 149
        Start 149: test_tautomer_24
149: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "24"
149: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
149: Environment variables: 
149:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
149:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
149: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u18_y0x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u1y_03i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u2d_08b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u2k_087.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u2o_03u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u2x_aso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u2z_07t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u3h_03w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u3k_03v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u4h_c8r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u4i_cvr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u4o_08e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u4r_08f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u4s_08p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u4u_lnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u57_dh8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u5l_08k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u6a_18p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u6h_03x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u6i_044.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u7k_mdb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u7l_udb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u7m_fhf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u7n_uhf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8d_u8d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8f_fgm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8j_09o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8l_09q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8m_09r.sdf
146/223 Test #147: test_tautomer_22 .................   Passed    0.07 sec
test 150
        Start 150: test_tautomer_25
150: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "25"
150: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
150: Environment variables: 
150:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
150:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
150: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8n_09s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8q_npu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u8w_09j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u9c_04g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u9f_clm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3u9n_09h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ua1_08y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ua8_08w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ua9_iwr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uag_uma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uan_a3p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ud5_j1a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3udd_34m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ude_j1b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3udl_kli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3udn_09b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3udp_09d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3udq_09e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3udv_j1c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3udy_09g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ue8_09m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ueq_otu.sdf
147/223 Test #148: test_tautomer_23 .................   Passed    0.07 sec
test 151
        Start 151: test_tautomer_26
151: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "26"
151: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
151: Environment variables: 
151:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
151:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
151: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uf9_fst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ufl_508.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ufo_hw4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ufq_hw5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ufr_h5w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ufs_hw6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uft_hw7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ufw_hw0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ugc_046.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uh0_tsb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uh4_xav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uhm_rfn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ui7_c1l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uiv_308.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uix_q17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ujs_0v5.sdf
148/223 Test #149: test_tautomer_24 .................   Passed    0.06 sec
test 152
        Start 152: test_tautomer_27
152: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "27"
152: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
152: Environment variables: 
152:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
152:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
152: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ujs_xsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uk4_xxd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uli_1n3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3um5_cp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3um6_1cy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3umw_596.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3umx_q18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3unz_0bz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uo4_0c0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uo5_0bx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uo6_0by.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uod_0c3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uoh_0c4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uoj_0c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uok_0c6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uol_0c7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uon_qnb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3up2_0c8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3up7_0c9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3upe_0ca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uph_0c1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3upi_0c2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3upj_u03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3upq_zan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3upr_1kx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uqf_bk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uqg_b5a.sdf
149/223 Test #150: test_tautomer_25 .................   Passed    0.06 sec
test 153
        Start 153: test_tautomer_28
153: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "28"
153: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
153: Environment variables: 
153:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
153:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
153: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ur4_0bw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ur5_dpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3urk_0cg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3urq_qmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3usd_idl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3usf_hoz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3usf_plr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ut3_emj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3utc_0jx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3utd_0cj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uu1_14b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uuo_0cv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uuz_0cb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uv3_0cm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uv6_0ch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uv7_0cn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uvc_0d2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uvp_048.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uwe_vjj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uwk_0df.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uwl_foz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uwm_0k2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uwo_0dj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ux0_0dv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uxd_0cu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uxe_465.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uxh_uxh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uxl_cfi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uxm_0dn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uyt_0ck.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uza_t4g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uzc_t4e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uzx_aom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uzx_aox.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uzz_asd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3uzz_tes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v01_3v0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v04_v04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v0l_2gw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v0m_5gw.sdf
150/223 Test #151: test_tautomer_26 .................   Passed    0.06 sec
test 154
        Start 154: test_tetrahedral_1
154: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "1"
154: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
154: Environment variables: 
154:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
154:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
154: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v0n_4gw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v0q_bhe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v0r_0fu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v1m_hpk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v1r_jth.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v1s_0lh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v1v_gst.sdf
151/223 Test #154: test_tetrahedral_1 ...............   Passed    0.01 sec
test 155
        Start 155: test_tetrahedral_2
155: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "2"
155: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
155: Environment variables: 
155:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
155:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
155: Test timeout computed to be: 1500
152/223 Test #152: test_tautomer_27 .................   Passed    0.06 sec
test 156
        Start 156: test_tetrahedral_3
156: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "3"
156: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
156: Environment variables: 
156:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
156:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
156: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v1x_0fv.sdf
155: ==============================
155: *** Open Babel Error  in SetConfig
155:   OBTetrahedralStereo::SetConfig : center atom id is invalid.
155: ==============================
155: *** Open Babel Error  in SetConfig
155:   OBTetrahedralStereo::SetConfig : from/towards atom id is invalid.
155: ==============================
155: *** Open Babel Error  in SetConfig
155:   OBTetrahedralStereo::SetConfig : found 0 reference ids, should be 3.
153/223 Test #155: test_tetrahedral_2 ...............   Passed    0.01 sec
test 157
        Start 157: test_tetrahedral_4
157: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "4"
157: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
157: Environment variables: 
157:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
157:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
157: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v2y_ml5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v35_nti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v3m_0en.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v3q_tmy.sdf
154/223 Test #156: test_tetrahedral_3 ...............   Passed    0.01 sec
test 158
        Start 158: test_tetrahedral_5
158: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "5"
158: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
158: Environment variables: 
158:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
158:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
158: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v3v_myu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v3x_mtn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v49_pk0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v4a_pk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v5a_abu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v5j_0f2.sdf
155/223 Test #157: test_tetrahedral_4 ...............   Passed    0.01 sec
test 159
        Start 159: test_tetranonplanar_1
159: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetranonplanartest" "1"
159: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
159: Environment variables: 
159:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
159:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
159: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v5l_0g1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v5q_0f4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v5u_olc.sdf
158: ==============================
158: *** Open Babel Error  in ToConfig
158:   OBTetraNonPlanarStereo::ToConfig : Invalid from in ConfigType struct.
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v5w_8pr.sdf
156/223 Test #158: test_tetrahedral_5 ...............   Passed    0.01 sec
test 160
        Start 160: test_tetraplanar_1
160: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetraplanartest" "1"
160: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
160: Environment variables: 
160:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
160:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
160: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v66_d3a.sdf
157/223 Test #159: test_tetranonplanar_1 ............   Passed    0.01 sec
test 161
        Start 161: test_uniqueid_1
161: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "1"
161: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
161: Environment variables: 
161:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
161:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
161: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v7t_0gx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v7w_zas.sdf
158/223 Test #153: test_tautomer_28 .................   Passed    0.06 sec
test 162
        Start 162: test_uniqueid_2
162: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "2"
162: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
162: Environment variables: 
162:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
162:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
162: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v7x_d7a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v7y_a3n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v80_aoc.sdf
159/223 Test #160: test_tetraplanar_1 ...............   Passed    0.01 sec
test 163
        Start 163: test_aromatest_1
163: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aromatest" "1"
163: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
163: Environment variables: 
163:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
163:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
163: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v8d_0gv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v8n_5ci.sdf
160/223 Test #161: test_uniqueid_1 ..................   Passed    0.01 sec
test 164
        Start 164: test_atom_1
164: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "1"
164: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
164: Environment variables: 
164:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
164:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
164: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v8p_znb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v8q_5n5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v8r_5nb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v8s_0hd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v8w_0g2.sdf
161/223 Test #162: test_uniqueid_2 ..................   Passed    0.01 sec
test 165
        Start 165: test_atom_2
165: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "2"
165: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
165: Environment variables: 
165:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
165:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
165: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v9b_ihm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3v9t_17l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vad_0f1.sdf
163: 
163: # Testing aromaticity perception...  
164: # Unit tests for OBAtom 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vap_0fy.sdf
162/223 Test #164: test_atom_1 ......................   Passed    0.01 sec
test 166
        Start 166: test_atom_3
166: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "3"
166: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
166: Environment variables: 
166:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
166:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
166: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vbg_03m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vbq_0f5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vby_0fr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vc4_0fs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3veh_0ga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vev_0h4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vey_0h5.sdf
165: # Unit tests for OBAtom 
165: 0
165: 4294967295
165: ok 3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vf3_0gs.sdf
163/223 Test #165: test_atom_2 ......................   Passed    0.01 sec
test 167
        Start 167: test_atom_4
167: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "4"
167: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
167: Environment variables: 
167:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
167:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
167: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vf6_0h6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vf8_0je.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vf9_477.sdf
166: # Unit tests for OBAtom 
166: 0
166: 255
166: 200
166: 44
166: ok 4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vfe_0hl.sdf
164/223 Test #166: test_atom_3 ......................   Passed    0.01 sec
test 168
        Start 168: test_bond_1
168: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "bond" "1"
168: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
168: Environment variables: 
168:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
168:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
168: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vgc_srb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vgn_fnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vgw_nvz.sdf
167: # Unit tests for OBAtom 
167: ok 5
167: ok 6
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vha_vha.sdf
165/223 Test #167: test_atom_4 ......................   Passed    0.01 sec
test 169
        Start 169: test_cansmi_1
169: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cansmi" "1"
169: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
169: Environment variables: 
169:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
169:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
169: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhc_vhc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhd_vhe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhe_42q.sdf
168: # Unit tests for OBBond 
168: ok 3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhh_vhh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhi_vhi.sdf
166/223 Test #168: test_bond_1 ......................   Passed    0.01 sec
test 170
        Start 170: test_charge_mmff94_1
170: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "charge_mmff94" "1"
170: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
170: Environment variables: 
170:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
170:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
170: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhk_bpk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhm_npk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhv_ld1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vhw_vhw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vi5_m4m.sdf
169: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vi7_cbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vi8_13m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vid_4tt.sdf
170: # Testing MMFF94 Charge Model...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vje_zga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vjh_j35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vji_j53.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vjk_m51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vjl_w94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vjm_w61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vjs_10s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vjt_10r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vlj_ddj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vm6_ri2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vn2_tls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vn9_ank.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vng_fuu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vnj_psj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vnm_sdd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vo3_0kf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vp1_04a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vp2_bp0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vp3_bp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vp4_bp9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vq5_mmj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vqe_fmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vqs_jt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vqu_o22.sdf
163: ok 1
163: ok 2
163: ok 3
163: ok 4
163: ok 5
163: ok 6
163: ok 7
163: ok 8
163: ok 9
163: ok 10
163: ok 11
163: ok 12
163: ok 13
163: ok 14
163: ok 15
163: ok 16
163: ok 17
163: ok 18
163: ok 19
163: ok 20
163: ok 21
163: ok 22
163: ok 23
163: ok 24
163: ok 25
163: ok 26
163: ok 27
163: ok 28
163: ok 29
163: ok 30
163: ok 31
163: ok 32
163: ok 33
163: ok 34
163: ok 35
163: ok 36
163: ok 37
163: ok 38
163: ok 39
163: ok 40
163: ok 41
163: ok 42
163: ok 43
163: ok 44
163: ok 45
163: ok 46
163: ok 47
163: ok 48
163: ok 49
163: ok 50
163: ok 51
163: ok 52
163: ok 53
163: ok 54
163: ok 55
163: ok 56
163: ok 57
163: ok 58
163: ok 59
163: ok 60
163: ok 61
163: ok 62
163: ok 63
163: ok 64
163: ok 65
163: ok 66
163: ok 67
163: ok 68
163: ok 69
163: ok 70
163: ok 71
163: ok 72
163: ok 73
163: ok 74
163: ok 75
163: ok 76
163: ok 77
163: ok 78
163: ok 79
163: ok 80
163: ok 81
163: ok 82
163: ok 83
163: ok 84
163: ok 85
163: ok 86
163: ok 87
163: ok 88
163: ok 89
163: ok 90
163: ok 91
163: ok 92
163: ok 93
163: ok 94
163: ok 95
163: ok 96
163: ok 97
163: ok 98
163: ok 99
163: ok 100
163: ok 101
163: ok 102
163: ok 103
163: ok 104
163: ok 105
163: ok 106
163: ok 107
163: ok 108
163: ok 109
163: ok 110
163: ok 111
163: ok 112
163: ok 113
163: ok 114
163: ok 115
163: ok 116
163: ok 117
163: ok 118
163: ok 119
163: ok 120
163: ok 121
163: ok 122
163: ok 123
163: ok 124
163: ok 125
163: ok 126
163: ok 127
163: ok 128
163: ok 129
163: ok 130
163: ok 131
163: ok 132
163: ok 133
163: ok 134
163: ok 135
163: ok 136
163: ok 137
163: ok 138
163: ok 139
163: ok 140
163: ok 141
163: ok 142
163: ok 143
163: ok 144
163: ok 145
163: ok 146
163: ok 147
163: ok 148
163: ok 149
163: ok 150
163: ok 151
163: ok 152
163: ok 153
163: ok 154
163: ok 155
163: ok 156
163: ok 157
163: ok 158
163: ok 159
163: ok 160
163: ok 161
163: ok 162
163: ok 163
163: ok 164
163: ok 165
163: ok 166
163: ok 167
163: ok 168
163: ok 169
163: ok 170
163: ok 171
163: ok 172
163: ok 173
163: ok 174
163: ok 175
163: ok 176
163: ok 177
163: ok 178
163: ok 179
163: ok 180
163: ok 181
163: ok 182
163: ok 183
163: ok 184
163: ok 185
163: ok 186
163: ok 187
163: ok 188
163: ok 189
163: ok 190
163: ok 191
163: ok 192
163: ok 193
163: ok 194
163: ok 195
163: ok 196
163: ok 197
163: ok 198
163: ok 199
163: ok 200
163: ok 201
163: ok 202
163: ok 203
163: ok 204
163: ok 205
163: ok 206
163: ok 207
163: ok 208
163: ok 209
163: ok 210
163: ok 211
163: ok 212
163: ok 213
163: ok 214
163: ok 215
163: ok 216
163: ok 217
163: ok 218
163: ok 219
163: ok 220
163: ok 221
163: ok 222
163: ok 223
163: ok 224
163: ok 225
163: ok 226
163: ok 227
163: ok 228
163: ok 229
163: ok 230
163: ok 231
163: ok 232
163: ok 233
163: ok 234
163: ok 235
163: ok 236
163: ok 237
163: ok 238
163: ok 239
163: ok 240
163: ok 241
163: ok 242
163: ok 243
163: ok 244
163: ok 245
163: ok 246
163: ok 247
163: ok 248
163: ok 249
163: ok 250
163: ok 251
163: ok 252
163: ok 253
163: ok 254
163: ok 255
163: ok 256
163: ok 257
163: ok 258
163: ok 259
163: ok 260
163: ok 261
163: ok 262
163: ok 263
163: ok 264
163: ok 265
163: ok 266
163: ok 267
163: ok 268
163: ok 269
163: ok 270
163: ok 271
163: ok 272
163: ok 273
163: ok 274
163: ok 275
163: ok 276
163: ok 277
163: ok 278
163: ok 279
163: ok 280
163: ok 281
163: ok 282
163: ok 283
163: ok 284
163: ok 285
163: ok 286
163: ok 287
163: ok 288
163: ok 289
163: ok 290
163: ok 291
163: ok 292
163: ok 293
163: ok 294
163: ok 295
163: ok 296
163: ok 297
163: ok 298
163: ok 299
163: ok 300
163: ok 301
163: ok 302
163: ok 303
163: ok 304
163: ok 305
163: ok 306
163: ok 307
163: ok 308
163: ok 309
163: ok 310
163: ok 311
163: ok 312
163: ok 313
163: ok 314
163: ok 315
163: ok 316
163: ok 317
163: ok 318
163: ok 319
163: ok 320
163: ok 321
163: ok 322
163: ok 323
163: ok 324
163: ok 325
163: ok 326
163: ok 327
163: ok 328
163: ok 329
163: ok 330
163: ok 331
163: ok 332
163: ok 333
163: ok 334
163: ok 335
163: ok 336
163: ok 337
163: ok 338
163: ok 339
163: ok 340
163: ok 341
163: ok 342
163: ok 343
163: ok 344
163: ok 345
163: ok 346
163: ok 347
163: ok 348
163: ok 349
163: ok 350
163: ok 351
163: ok 352
163: ok 353
163: ok 354
163: ok 355
163: ok 356
163: ok 357
163: ok 358
163: ok 359
163: ok 360
163: ok 361
163: ok 362
163: ok 363
163: ok 364
163: ok 365
163: ok 366
163: ok 367
163: ok 368
163: ok 369
163: ok 370
163: ok 371
163: ok 372
163: ok 373
163: ok 374
163: ok 375
163: ok 376
163: ok 377
163: ok 378
163: ok 379
163: ok 380
163: ok 381
163: ok 382
163: ok 383
163: ok 384
163: ok 385
163: ok 386
163: ok 387
163: ok 388
163: ok 389
163: ok 390
163: ok 391
163: ok 392
163: ok 393
163: ok 394
163: ok 395
163: ok 396
163: ok 397
163: ok 398
163: ok 399
163: ok 400
163: ok 401
163: ok 402
163: ok 403
163: ok 404
163: ok 405
163: ok 406
163: ok 407
163: ok 408
163: ok 409
163: ok 410
163: ok 411
163: ok 412
163: ok 413
163: ok 414
163: ok 415
163: ok 416
163: ok 417
163: ok 418
163: ok 419
163: ok 420
163: ok 421
163: ok 422
163: ok 423
163: ok 424
163: ok 425
163: ok 426
163: ok 427
163: ok 428
163: ok 429
163: ok 430
163: ok 431
163: ok 432
163: ok 433
163: ok 434
163: ok 435
163: ok 436
163: ok 437
163: ok 438
163: ok 439
163: ok 440
163: ok 441
163: ok 442
163: ok 443
163: ok 444
163: ok 445
163: ok 446
163: ok 447
163: ok 448
163: ok 449
163: ok 450
163: ok 451
163: ok 452
163: ok 453
163: ok 454
163: ok 455
163: ok 456
163: ok 457
163: ok 458
163: ok 459
163: ok 460
163: ok 461
163: ok 462
163: ok 463
163: ok 464
163: ok 465
163: ok 466
163: ok 467
163: ok 468
163: ok 469
163: ok 470
163: ok 471
163: ok 472
163: ok 473
163: ok 474
163: ok 475
163: ok 476
163: ok 477
163: ok 478
163: ok 479
163: ok 480
163: ok 481
163: ok 482
163: ok 483
163: ok 484
163: ok 485
163: ok 486
163: ok 487
163: ok 488
163: ok 489
163: ok 490
163: ok 491
163: ok 492
163: ok 493
163: ok 494
163: ok 495
163: ok 496
163: ok 497
163: ok 498
163: ok 499
163: ok 500
163: ok 501
163: ok 502
163: ok 503
163: ok 504
163: ok 505
163: ok 506
163: ok 507
163: ok 508
163: ok 509
163: ok 510
163: ok 511
163: ok 512
163: ok 513
163: ok 514
163: ok 515
163: ok 516
163: ok 517
163: ok 518
163: ok 519
163: ok 520
163: ok 521
163: ok 522
163: ok 523
163: ok 524
163: ok 525
163: ok 526
163: ok 527
163: ok 528
163: ok 529
163: ok 530
163: ok 531
163: ok 532
163: ok 533
163: ok 534
163: ok 535
163: ok 536
163: ok 537
163: ok 538
163: ok 539
163: ok 540
163: ok 541
163: ok 542
163: ok 543
163: ok 544
163: ok 545
163: ok 546
163: ok 547
163: ok 548
163: ok 549
163: ok 550
163: ok 551
163: ok 552
163: ok 553
163: ok 554
163: ok 555
163: ok 556
163: ok 557
163: ok 558
163: ok 559
163: ok 560
163: ok 561
163: ok 562
163: ok 563
163: ok 564
163: ok 565
163: ok 566
163: ok 567
163: ok 568
163: ok 569
163: ok 570
163: ok 571
163: ok 572
163: ok 573
163: ok 574
163: ok 575
163: ok 576
163: ok 577
163: ok 578
163: ok 579
163: ok 580
163: ok 581
163: ok 582
163: ok 583
163: ok 584
163: ok 585
163: ok 586
163: ok 587
163: ok 588
163: ok 589
163: ok 590
163: ok 591
163: ok 592
163: ok 593
163: ok 594
163: ok 595
163: ok 596
163: ok 597
163: ok 598
163: ok 599
163: ok 600
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vrt_ys2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vru_ys3.sdf
163: ok 601
163: ok 602
163: ok 603
163: ok 604
163: ok 605
163: ok 606
163: ok 607
163: ok 608
163: ok 609
163: ok 610
163: ok 611
163: ok 612
163: ok 613
163: ok 614
163: ok 615
163: ok 616
163: ok 617
163: ok 618
163: ok 619
163: ok 620
163: ok 621
163: ok 622
163: ok 623
163: ok 624
163: ok 625
163: ok 626
163: ok 627
163: ok 628
163: ok 629
163: ok 630
163: ok 631
163: ok 632
163: ok 633
163: ok 634
163: ok 635
163: ok 636
163: ok 637
163: ok 638
163: ok 639
163: ok 640
163: ok 641
163: ok 642
163: ok 643
163: ok 644
163: ok 645
163: ok 646
163: ok 647
163: ok 648
163: ok 649
163: ok 650
163: ok 651
163: ok 652
163: ok 653
163: ok 654
163: ok 655
163: ok 656
163: ok 657
163: ok 658
163: ok 659
163: ok 660
163: ok 661
163: ok 662
163: ok 663
163: ok 664
163: ok 665
163: ok 666
163: ok 667
163: ok 668
163: ok 669
163: ok 670
163: ok 671
163: ok 672
163: ok 673
163: ok 674
163: ok 675
163: ok 676
163: ok 677
163: ok 678
163: ok 679
163: ok 680
163: ok 681
163: ok 682
163: ok 683
163: ok 684
163: ok 685
163: ok 686
163: ok 687
163: ok 688
163: ok 689
163: ok 690
163: ok 691
163: ok 692
163: ok 693
163: ok 694
163: ok 695
163: ok 696
163: ok 697
163: ok 698
163: ok 699
163: ok 700
163: ok 701
163: ok 702
163: ok 703
163: ok 704
163: ok 705
163: ok 706
163: ok 707
163: ok 708
163: ok 709
163: ok 710
167/223 Test #163: test_aromatest_1 .................   Passed    0.06 sec
test 171
        Start 171: test_charge_gasteiger_1
171: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "charge_gasteiger" "1"
171: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
171: Environment variables: 
171:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
171:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
171: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vrv_ysd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vrw_ys5.sdf
171: # Testing GASTEIGER Charge Model...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vrz_vrz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vs0_vs0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vs1_vsa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vs2_vsb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vs3_vse.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vs4_vsf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vs5_vsg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vs6_vsh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vsj_2xp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vso_ek1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vsp_ek8.sdf
169: # Testing Canonical SMILES Generation ...  
169: ok 1 # number of heavy atoms match
169: ok 2 # number of heavy atoms match
169: ok 3 # number of heavy atoms match
169: ok 4 # number of heavy atoms match
169: ok 5 # number of heavy atoms match
169: ok 6 # number of heavy atoms match
169: ok 7 # number of heavy atoms match
169: ok 8 # number of heavy atoms match
169: ok 9 # number of heavy atoms match
169: ok 10 # number of heavy atoms match
169: ok 11 # number of heavy atoms match
169: ok 12 # number of heavy atoms match
169: ok 13 # number of heavy atoms match
169: ok 14 # number of heavy atoms match
169: ok 15 # number of heavy atoms match
169: ok 16 # number of heavy atoms match
169: ok 17 # number of heavy atoms match
169: ok 18 # number of heavy atoms match
169: ok 19 # number of heavy atoms match
169: ok 20 # number of heavy atoms match
169: ok 21 # number of heavy atoms match
169: ok 22 # number of heavy atoms match
169: ok 23 # number of heavy atoms match
169: ok 24 # number of heavy atoms match
169: ok 25 # number of heavy atoms match
169: ok 26 # number of heavy atoms match
169: ok 27 # number of heavy atoms match
169: ok 28 # number of heavy atoms match
169: ok 29 # number of heavy atoms match
169: ok 30 # number of heavy atoms match
169: ok 31 # number of heavy atoms match
169: ok 32 # number of heavy atoms match
169: ok 33 # number of heavy atoms match
169: ok 34 # number of heavy atoms match
169: ok 35 # number of heavy atoms match
169: ok 36 # number of heavy atoms match
169: ok 37 # number of heavy atoms match
169: ok 38 # number of heavy atoms match
169: ok 39 # number of heavy atoms match
169: ok 40 # number of heavy atoms match
169: ok 41 # number of heavy atoms match
169: ok 42 # number of heavy atoms match
169: ok 43 # number of heavy atoms match
169: ok 44 # number of heavy atoms match
169: ok 45 # number of heavy atoms match
169: ok 46 # number of heavy atoms match
169: ok 47 # number of heavy atoms match
169: ok 48 # number of heavy atoms match
169: ok 49 # number of heavy atoms match
169: ok 50 # number of heavy atoms match
169: ok 51 # number of heavy atoms match
169: ok 52 # number of heavy atoms match
169: ok 53 # number of heavy atoms match
169: ok 54 # number of heavy atoms match
169: ok 55 # number of heavy atoms match
169: ok 56 # number of heavy atoms match
169: ok 57 # number of heavy atoms match
169: ok 58 # number of heavy atoms match
169: ok 59 # number of heavy atoms match
169: ok 60 # number of heavy atoms match
169: ok 61 # number of heavy atoms match
169: ok 62 # number of heavy atoms match
169: ok 63 # number of heavy atoms match
169: ok 64 # number of heavy atoms match
169: ok 65 # number of heavy atoms match
169: ok 66 # number of heavy atoms match
169: ok 67 # number of heavy atoms match
169: ok 68 # number of heavy atoms match
169: ok 69 # number of heavy atoms match
169: ok 70 # number of heavy atoms match
169: ok 71 # number of heavy atoms match
169: ok 72 # number of heavy atoms match
169: ok 73 # number of heavy atoms match
169: ok 74 # number of heavy atoms match
169: ok 75 # number of heavy atoms match
169: ok 76 # number of heavy atoms match
169: ok 77 # number of heavy atoms match
169: ok 78 # number of heavy atoms match
169: ok 79 # number of heavy atoms match
169: ok 80 # number of heavy atoms match
169: ok 81 # number of heavy atoms match
169: ok 82 # number of heavy atoms match
169: ok 83 # number of heavy atoms match
169: ok 84 # number of heavy atoms match
169: ok 85 # number of heavy atoms match
169: ok 86 # number of heavy atoms match
169: ok 87 # number of heavy atoms match
169: ok 88 # number of heavy atoms match
169: ok 89 # number of heavy atoms match
169: ok 90 # number of heavy atoms match
169: ok 91 # number of heavy atoms match
169: ok 92 # number of heavy atoms match
169: ok 93 # number of heavy atoms match
169: ok 94 # number of heavy atoms match
169: ok 95 # number of heavy atoms match
169: ok 96 # number of heavy atoms match
169: ok 97 # number of heavy atoms match
169: ok 98 # number of heavy atoms match
169: ok 99 # number of heavy atoms match
169: ok 100 # number of heavy atoms match
169: ok 101 # number of heavy atoms match
169: ok 102 # number of heavy atoms match
169: ok 103 # number of heavy atoms match
169: ok 104 # number of heavy atoms match
169: ok 105 # number of heavy atoms match
169: ok 106 # number of heavy atoms match
169: ok 107 # number of heavy atoms match
169: ok 108 # number of heavy atoms match
169: ok 109 # number of heavy atoms match
169: ok 110 # number of heavy atoms match
169: ok 111 # number of heavy atoms match
169: ok 112 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vsw_r31.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vsx_r32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vt3_vdx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vt5_yi2.sdf
169: ok 113 # number of heavy atoms match
169: ok 114 # number of heavy atoms match
169: ok 115 # number of heavy atoms match
169: ok 116 # number of heavy atoms match
169: ok 117 # number of heavy atoms match
169: ok 118 # number of heavy atoms match
169: ok 119 # number of heavy atoms match
169: ok 120 # number of heavy atoms match
169: ok 121 # number of heavy atoms match
169: ok 122 # number of heavy atoms match
169: ok 123 # number of heavy atoms match
169: ok 124 # number of heavy atoms match
169: ok 125 # number of heavy atoms match
169: ok 126 # number of heavy atoms match
169: ok 127 # number of heavy atoms match
169: ok 128 # number of heavy atoms match
169: ok 129 # number of heavy atoms match
169: ok 130 # number of heavy atoms match
169: ok 131 # number of heavy atoms match
169: ok 132 # number of heavy atoms match
169: ok 133 # number of heavy atoms match
169: ok 134 # number of heavy atoms match
169: ok 135 # number of heavy atoms match
169: ok 136 # number of heavy atoms match
169: ok 137 # number of heavy atoms match
169: ok 138 # number of heavy atoms match
169: ok 139 # number of heavy atoms match
169: ok 140 # number of heavy atoms match
169: ok 141 # number of heavy atoms match
169: ok 142 # number of heavy atoms match
169: ok 143 # number of heavy atoms match
169: ok 144 # number of heavy atoms match
169: ok 145 # number of heavy atoms match
169: ok 146 # number of heavy atoms match
169: ok 147 # number of heavy atoms match
169: ok 148 # number of heavy atoms match
169: ok 149 # number of heavy atoms match
169: ok 150 # number of heavy atoms match
169: ok 151 # number of heavy atoms match
169: ok 152 # number of heavy atoms match
169: ok 153 # number of heavy atoms match
169: ok 154 # number of heavy atoms match
169: ok 155 # number of heavy atoms match
169: ok 156 # number of heavy atoms match
169: ok 157 # number of heavy atoms match
169: ok 158 # number of heavy atoms match
169: ok 159 # number of heavy atoms match
169: ok 160 # number of heavy atoms match
169: ok 161 # number of heavy atoms match
169: ok 162 # number of heavy atoms match
169: ok 163 # number of heavy atoms match
169: ok 164 # number of heavy atoms match
169: ok 165 # number of heavy atoms match
169: ok 166 # number of heavy atoms match
169: ok 167 # number of heavy atoms match
169: ok 168 # number of heavy atoms match
169: ok 169 # number of heavy atoms match
169: ok 170 # number of heavy atoms match
169: ok 171 # number of heavy atoms match
169: ok 172 # number of heavy atoms match
169: ok 173 # number of heavy atoms match
169: ok 174 # number of heavy atoms match
169: ok 175 # number of heavy atoms match
169: ok 176 # number of heavy atoms match
169: ok 177 # number of heavy atoms match
169: ok 178 # number of heavy atoms match
169: ok 179 # number of heavy atoms match
169: ok 180 # number of heavy atoms match
169: ok 181 # number of heavy atoms match
169: ok 182 # number of heavy atoms match
169: ok 183 # number of heavy atoms match
169: ok 184 # number of heavy atoms match
169: ok 185 # number of heavy atoms match
169: ok 186 # number of heavy atoms match
169: ok 187 # number of heavy atoms match
169: ok 188 # number of heavy atoms match
169: ok 189 # number of heavy atoms match
169: ok 190 # number of heavy atoms match
169: ok 191 # number of heavy atoms match
169: ok 192 # number of heavy atoms match
169: ok 193 # number of heavy atoms match
169: ok 194 # number of heavy atoms match
169: ok 195 # number of heavy atoms match
169: ok 196 # number of heavy atoms match
169: ok 197 # number of heavy atoms match
169: ok 198 # number of heavy atoms match
169: ok 199 # number of heavy atoms match
169: ok 200 # number of heavy atoms match
169: ok 201 # number of heavy atoms match
169: ok 202 # number of heavy atoms match
169: ok 203 # number of heavy atoms match
169: ok 204 # number of heavy atoms match
169: ok 205 # number of heavy atoms match
169: ok 206 # number of heavy atoms match
169: ok 207 # number of heavy atoms match
169: ok 208 # number of heavy atoms match
169: ok 209 # number of heavy atoms match
169: ok 210 # number of heavy atoms match
169: ok 211 # number of heavy atoms match
169: ok 212 # number of heavy atoms match
169: ok 213 # number of heavy atoms match
169: ok 214 # number of heavy atoms match
169: ok 215 # number of heavy atoms match
169: ok 216 # number of heavy atoms match
169: ok 217 # number of heavy atoms match
169: ok 218 # number of heavy atoms match
169: ok 219 # number of heavy atoms match
169: ok 220 # number of heavy atoms match
169: ok 221 # number of heavy atoms match
169: ok 222 # number of heavy atoms match
169: ok 223 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vt6_5yi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vt8_yi3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vt9_yi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vtb_tka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vtc_tk3.sdf
169: ok 224 # number of heavy atoms match
169: ok 225 # number of heavy atoms match
169: ok 226 # number of heavy atoms match
169: ok 227 # number of heavy atoms match
169: ok 228 # number of heavy atoms match
169: ok 229 # number of heavy atoms match
169: ok 230 # number of heavy atoms match
169: ok 231 # number of heavy atoms match
169: ok 232 # number of heavy atoms match
169: ok 233 # number of heavy atoms match
169: ok 234 # number of heavy atoms match
169: ok 235 # number of heavy atoms match
169: ok 236 # number of heavy atoms match
169: ok 237 # number of heavy atoms match
169: ok 238 # number of heavy atoms match
169: ok 239 # number of heavy atoms match
169: ok 240 # number of heavy atoms match
169: ok 241 # number of heavy atoms match
169: ok 242 # number of heavy atoms match
169: ok 243 # number of heavy atoms match
169: ok 244 # number of heavy atoms match
169: ok 245 # number of heavy atoms match
169: ok 246 # number of heavy atoms match
169: ok 247 # number of heavy atoms match
169: ok 248 # number of heavy atoms match
169: ok 249 # number of heavy atoms match
169: ok 250 # number of heavy atoms match
169: ok 251 # number of heavy atoms match
169: ok 252 # number of heavy atoms match
169: ok 253 # number of heavy atoms match
169: ok 254 # number of heavy atoms match
169: ok 255 # number of heavy atoms match
169: ok 256 # number of heavy atoms match
169: ok 257 # number of heavy atoms match
169: ok 258 # number of heavy atoms match
169: ok 259 # number of heavy atoms match
169: ok 260 # number of heavy atoms match
169: ok 261 # number of heavy atoms match
169: ok 262 # number of heavy atoms match
169: ok 263 # number of heavy atoms match
169: ok 264 # number of heavy atoms match
169: ok 265 # number of heavy atoms match
169: ok 266 # number of heavy atoms match
169: ok 267 # number of heavy atoms match
169: ok 268 # number of heavy atoms match
169: ok 269 # number of heavy atoms match
169: ok 270 # number of heavy atoms match
169: ok 271 # number of heavy atoms match
169: ok 272 # number of heavy atoms match
169: ok 273 # number of heavy atoms match
169: ok 274 # number of heavy atoms match
169: ok 275 # number of heavy atoms match
169: ok 276 # number of heavy atoms match
169: ok 277 # number of heavy atoms match
169: ok 278 # number of heavy atoms match
169: ok 279 # number of heavy atoms match
169: ok 280 # number of heavy atoms match
169: ok 281 # number of heavy atoms match
169: ok 282 # number of heavy atoms match
169: ok 283 # number of heavy atoms match
169: ok 284 # number of heavy atoms match
169: ok 285 # number of heavy atoms match
169: ok 286 # number of heavy atoms match
169: ok 287 # number of heavy atoms match
169: ok 288 # number of heavy atoms match
169: ok 289 # number of heavy atoms match
169: ok 290 # number of heavy atoms match
169: ok 291 # number of heavy atoms match
169: ok 292 # number of heavy atoms match
169: ok 293 # number of heavy atoms match
169: ok 294 # number of heavy atoms match
169: ok 295 # number of heavy atoms match
169: ok 296 # number of heavy atoms match
169: ok 297 # number of heavy atoms match
169: ok 298 # number of heavy atoms match
169: ok 299 # number of heavy atoms match
169: ok 300 # number of heavy atoms match
169: ok 301 # number of heavy atoms match
169: ok 302 # number of heavy atoms match
169: ok 303 # number of heavy atoms match
169: ok 304 # number of heavy atoms match
169: ok 305 # number of heavy atoms match
169: ok 306 # number of heavy atoms match
169: ok 307 # number of heavy atoms match
169: ok 308 # number of heavy atoms match
169: ok 309 # number of heavy atoms match
169: ok 310 # number of heavy atoms match
169: ok 311 # number of heavy atoms match
169: ok 312 # number of heavy atoms match
169: ok 313 # number of heavy atoms match
169: ok 314 # number of heavy atoms match
169: ok 315 # number of heavy atoms match
169: ok 316 # number of heavy atoms match
169: ok 317 # number of heavy atoms match
169: ok 318 # number of heavy atoms match
169: ok 319 # number of heavy atoms match
169: ok 320 # number of heavy atoms match
169: ok 321 # number of heavy atoms match
169: ok 322 # number of heavy atoms match
169: ok 323 # number of heavy atoms match
169: ok 324 # number of heavy atoms match
169: ok 325 # number of heavy atoms match
169: ok 326 # number of heavy atoms match
169: ok 327 # number of heavy atoms match
169: ok 328 # number of heavy atoms match
169: ok 329 # number of heavy atoms match
169: ok 330 # number of heavy atoms match
169: ok 331 # number of heavy atoms match
169: ok 332 # number of heavy atoms match
169: ok 333 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vtd_tkd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vu8_mds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vuc_hhe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vuz_k15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vv0_kh3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vv7_0b1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vva_chw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vw6_im6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vw7_vpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vw8_df6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vw9_hpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vwj_db3.sdf
171: ok 1 # dipole
171: ok 2 # charge
171: ok 3 # charge
171: ok 4 # charge
171: ok 5 # charge
171: ok 6 # charge
171: ok 7 # charge
171: ok 8 # charge
171: ok 9 # charge
171: ok 10 # charge
171: ok 11 # charge
171: ok 12 # charge
171: ok 13 # charge
171: ok 14 # charge
171: ok 15 # charge
171: ok 16 # charge
171: ok 17 # charge
171: ok 18 # charge
171: ok 19 # charge
171: ok 20 # charge
171: ok 21 # charge
171: ok 22 # charge
171: ok 23 # charge
171: ok 24 # charge
171: ok 25 # charge
171: ok 26 # charge
171: ok 27 # charge
171: ok 28 # charge
171: ok 29 # charge
171: ok 30 # charge
171: ok 31 # charge
171: ok 32 # charge
171: ok 33 # charge
171: ok 34 # charge
171: ok 35 # charge
171: ok 36 # charge
171: ok 37 # charge
171: ok 38 # charge
171: ok 39 # charge
171: ok 40 # charge
171: ok 41 # dipole
171: ok 42 # charge
171: ok 43 # charge
171: ok 44 # charge
171: ok 45 # charge
171: ok 46 # charge
171: ok 47 # charge
171: ok 48 # charge
171: ok 49 # dipole
171: ok 50 # charge
171: ok 51 # charge
171: ok 52 # charge
171: ok 53 # charge
171: ok 54 # charge
171: ok 55 # charge
171: ok 56 # charge
171: ok 57 # charge
171: ok 58 # charge
171: ok 59 # dipole
171: ok 60 # charge
171: ok 61 # charge
171: ok 62 # charge
171: ok 63 # charge
171: ok 64 # charge
171: ok 65 # charge
171: ok 66 # charge
171: ok 67 # charge
171: ok 68 # dipole
171: ok 69 # charge
171: ok 70 # charge
171: ok 71 # charge
171: ok 72 # charge
171: ok 73 # charge
171: ok 74 # charge
171: ok 75 # charge
171: ok 76 # charge
171: ok 77 # charge
171: ok 78 # charge
171: ok 79 # charge
171: ok 80 # charge
171: ok 81 # charge
171: ok 82 # dipole
171: ok 83 # charge
171: ok 84 # charge
171: ok 85 # charge
171: ok 86 # charge
171: ok 87 # charge
171: ok 88 # charge
171: ok 89 # charge
171: ok 90 # charge
171: ok 91 # charge
171: ok 92 # charge
171: ok 93 # charge
171: ok 94 # charge
171: ok 95 # charge
171: ok 96 # dipole
171: ok 97 # charge
171: ok 98 # charge
171: ok 99 # charge
171: ok 100 # charge
171: ok 101 # charge
171: ok 102 # charge
171: ok 103 # charge
171: ok 104 # charge
171: ok 105 # charge
171: ok 106 # charge
171: ok 107 # charge
171: ok 108 # charge
171: ok 109 # charge
171: ok 110 # charge
171: ok 111 # charge
171: ok 112 # charge
171: ok 113 # charge
171: ok 114 # charge
171: ok 115 # charge
171: ok 116 # charge
171: ok 117 # charge
171: ok 118 # charge
171: ok 119 # charge
171: ok 120 # charge
171: ok 121 # charge
171: ok 122 # charge
171: ok 123 # charge
171: ok 124 # charge
171: ok 125 # charge
171: ok 126 # charge
171: ok 127 # charge
171: ok 128 # charge
171: ok 129 # charge
171: ok 130 # charge
171: ok 131 # charge
171: ok 132 # charge
171: ok 133 # charge
171: ok 134 # charge
171: ok 135 # charge
171: ok 136 # charge
171: ok 137 # charge
171: ok 138 # charge
171: ok 139 # charge
171: ok 140 # charge
171: ok 141 # charge
171: ok 142 # charge
171: ok 143 # charge
171: ok 144 # charge
171: ok 145 # charge
171: ok 146 # charge
171: ok 147 # charge
171: ok 148 # charge
171: ok 149 # charge
171: ok 150 # charge
171: ok 151 # charge
171: ok 152 # charge
171: ok 153 # charge
171: ok 154 # charge
171: ok 155 # charge
171: ok 156 # charge
171: ok 157 # charge
171: ok 158 # charge
171: ok 159 # charge
171: ok 160 # charge
171: ok 161 # charge
171: ok 162 # dipole
171: ok 163 # charge
171: ok 164 # charge
171: ok 165 # charge
171: ok 166 # charge
171: ok 167 # charge
171: ok 168 # charge
171: ok 169 # charge
171: ok 170 # charge
171: ok 171 # charge
171: ok 172 # charge
171: ok 173 # charge
171: ok 174 # charge
171: ok 175 # charge
171: ok 176 # charge
171: ok 177 # charge
171: ok 178 # charge
171: ok 179 # charge
171: ok 180 # charge
171: ok 181 # charge
171: ok 182 # charge
171: ok 183 # charge
171: ok 184 # charge
171: ok 185 # charge
171: ok 186 # charge
171: ok 187 # dipole
171: ok 188 # charge
171: ok 189 # charge
171: ok 190 # charge
171: ok 191 # charge
171: ok 192 # charge
171: ok 193 # charge
171: ok 194 # charge
171: ok 195 # charge
171: ok 196 # charge
171: ok 197 # charge
171: ok 198 # charge
171: ok 199 # charge
171: ok 200 # charge
171: ok 201 # charge
171: ok 202 # charge
171: ok 203 # charge
171: ok 204 # charge
171: ok 205 # charge
171: ok 206 # charge
171: ok 207 # charge
171: ok 208 # charge
171: ok 209 # charge
171: ok 210 # charge
171: ok 211 # charge
171: ok 212 # charge
171: ok 213 # charge
171: ok 214 # charge
171: ok 215 # charge
171: ok 216 # charge
171: ok 217 # charge
171: ok 218 # charge
171: ok 219 # charge
171: ok 220 # charge
171: ok 221 # charge
171: ok 222 # charge
171: ok 223 # charge
171: ok 224 # charge
171: ok 225 # charge
171: ok 226 # charge
171: ok 227 # charge
171: ok 228 # charge
171: ok 229 # charge
171: ok 230 # charge
171: ok 231 # charge
171: ok 232 # charge
171: ok 233 # charge
171: ok 234 # charge
171: ok 235 # charge
171: ok 236 # charge
171: ok 237 # charge
171: ok 238 # charge
171: ok 239 # charge
171: ok 240 # charge
171: ok 241 # charge
171: ok 242 # charge
171: ok 243 # charge
171: ok 244 # charge
171: ok 245 # charge
171: ok 246 # charge
171: ok 247 # charge
171: ok 248 # dipole
171: ok 249 # charge
171: ok 250 # charge
171: ok 251 # charge
171: ok 252 # charge
171: ok 253 # charge
171: ok 254 # charge
171: ok 255 # charge
171: ok 256 # charge
171: ok 257 # charge
171: ok 258 # charge
171: ok 259 # charge
171: ok 260 # charge
171: ok 261 # charge
171: ok 262 # charge
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vwk_4gh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vyd_vyd.sdf
171: ok 263 # charge
171: ok 264 # charge
171: ok 265 # charge
171: ok 266 # charge
171: ok 267 # charge
171: ok 268 # charge
171: ok 269 # charge
171: ok 270 # charge
171: ok 271 # charge
171: ok 272 # charge
171: ok 273 # dipole
171: ok 274 # charge
171: ok 275 # charge
171: ok 276 # charge
171: ok 277 # charge
171: ok 278 # charge
171: ok 279 # charge
171: ok 280 # charge
171: ok 281 # charge
171: ok 282 # charge
171: ok 283 # charge
171: ok 284 # charge
171: ok 285 # charge
171: ok 286 # charge
171: ok 287 # charge
171: ok 288 # charge
171: ok 289 # charge
171: ok 290 # charge
171: ok 291 # charge
171: ok 292 # charge
171: ok 293 # charge
171: ok 294 # charge
171: ok 295 # charge
171: ok 296 # charge
171: ok 297 # charge
171: ok 298 # charge
171: ok 299 # charge
171: ok 300 # charge
171: ok 301 # charge
171: ok 302 # charge
171: ok 303 # charge
171: ok 304 # charge
171: ok 305 # charge
171: ok 306 # charge
171: ok 307 # charge
171: ok 308 # charge
171: ok 309 # charge
171: ok 310 # charge
171: ok 311 # charge
171: ok 312 # charge
171: ok 313 # charge
171: ok 314 # charge
171: ok 315 # charge
171: ok 316 # charge
171: ok 317 # charge
171: ok 318 # charge
171: ok 319 # charge
171: ok 320 # charge
171: ok 321 # charge
171: ok 322 # charge
171: ok 323 # charge
171: ok 324 # charge
171: ok 325 # charge
171: ok 326 # charge
171: ok 327 # charge
171: ok 328 # charge
171: ok 329 # charge
171: ok 330 # charge
171: ok 331 # charge
171: ok 332 # charge
171: ok 333 # charge
171: ok 334 # charge
171: ok 335 # charge
171: ok 336 # charge
171: ok 337 # charge
171: ok 338 # charge
171: ok 339 # charge
171: ok 340 # charge
171: ok 341 # charge
171: ok 342 # charge
171: ok 343 # charge
171: ok 344 # charge
171: ok 345 # charge
171: ok 346 # charge
171: ok 347 # charge
171: ok 348 # dipole
171: ok 349 # charge
171: ok 350 # charge
171: ok 351 # charge
171: ok 352 # charge
171: ok 353 # charge
171: ok 354 # charge
171: ok 355 # charge
171: ok 356 # charge
171: ok 357 # charge
171: ok 358 # charge
171: ok 359 # charge
171: ok 360 # charge
171: ok 361 # charge
171: ok 362 # charge
171: ok 363 # charge
171: ok 364 # charge
171: ok 365 # charge
171: ok 366 # charge
171: ok 367 # charge
171: ok 368 # charge
171: ok 369 # charge
171: ok 370 # charge
171: ok 371 # charge
171: ok 372 # charge
171: ok 373 # charge
171: ok 374 # charge
171: ok 375 # charge
171: ok 376 # charge
171: ok 377 # charge
171: ok 378 # charge
171: ok 379 # charge
171: ok 380 # charge
171: ok 381 # charge
171: ok 382 # charge
171: ok 383 # charge
171: ok 384 # charge
171: ok 385 # charge
171: ok 386 # charge
171: ok 387 # charge
171: ok 388 # charge
171: ok 389 # charge
171: ok 390 # charge
171: ok 391 # dipole
171: ok 392 # charge
171: ok 393 # charge
171: ok 394 # charge
171: ok 395 # charge
171: ok 396 # charge
171: ok 397 # charge
171: ok 398 # charge
171: ok 399 # charge
171: ok 400 # charge
171: ok 401 # charge
171: ok 402 # charge
171: ok 403 # charge
171: ok 404 # charge
171: ok 405 # charge
171: ok 406 # charge
171: ok 407 # charge
171: ok 408 # charge
171: ok 409 # charge
171: ok 410 # charge
171: ok 411 # charge
171: ok 412 # charge
171: ok 413 # charge
171: ok 414 # charge
171: ok 415 # charge
171: ok 416 # charge
171: ok 417 # charge
171: ok 418 # charge
171: ok 419 # charge
171: ok 420 # charge
171: ok 421 # charge
171: ok 422 # charge
171: ok 423 # charge
171: ok 424 # charge
171: ok 425 # charge
171: ok 426 # charge
171: ok 427 # charge
171: ok 428 # charge
171: ok 429 # dipole
171: ok 430 # charge
171: ok 431 # charge
171: ok 432 # charge
171: ok 433 # charge
171: ok 434 # charge
171: ok 435 # charge
171: ok 436 # charge
171: ok 437 # charge
171: ok 438 # charge
171: ok 439 # charge
171: ok 440 # charge
171: ok 441 # charge
171: ok 442 # charge
171: ok 443 # charge
171: ok 444 # charge
171: ok 445 # charge
171: ok 446 # charge
171: ok 447 # charge
171: ok 448 # charge
171: ok 449 # charge
171: ok 450 # charge
171: ok 451 # charge
171: ok 452 # charge
171: ok 453 # charge
171: ok 454 # charge
171: ok 455 # charge
171: ok 456 # charge
171: ok 457 # charge
171: ok 458 # charge
171: ok 459 # charge
171: ok 460 # charge
171: ok 461 # charge
171: ok 462 # charge
171: ok 463 # charge
171: ok 464 # charge
171: ok 465 # charge
171: ok 466 # charge
171: ok 467 # charge
171: ok 468 # charge
171: ok 469 # dipole
171: ok 470 # charge
171: ok 471 # charge
171: ok 472 # charge
171: ok 473 # charge
171: ok 474 # charge
171: ok 475 # charge
171: ok 476 # charge
171: ok 477 # charge
171: ok 478 # charge
171: ok 479 # charge
171: ok 480 # charge
171: ok 481 # charge
171: ok 482 # charge
171: ok 483 # charge
171: ok 484 # charge
171: ok 485 # charge
171: ok 486 # charge
171: ok 487 # charge
171: ok 488 # charge
171: ok 489 # charge
171: ok 490 # charge
171: ok 491 # charge
171: ok 492 # charge
171: ok 493 # charge
171: ok 494 # charge
171: ok 495 # charge
171: ok 496 # charge
171: ok 497 # charge
171: ok 498 # charge
171: ok 499 # charge
171: ok 500 # charge
171: ok 501 # charge
171: ok 502 # charge
171: ok 503 # dipole
171: ok 504 # charge
171: ok 505 # charge
171: ok 506 # charge
171: ok 507 # charge
171: ok 508 # charge
171: ok 509 # charge
171: ok 510 # charge
171: ok 511 # charge
171: ok 512 # charge
171: ok 513 # charge
171: ok 514 # charge
171: ok 515 # charge
171: ok 516 # charge
171: ok 517 # charge
171: ok 518 # charge
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vye_vye.sdf
171: ok 519 # charge
171: ok 520 # charge
171: ok 521 # charge
171: ok 522 # charge
171: ok 523 # charge
171: ok 524 # charge
171: ok 525 # charge
171: ok 526 # charge
171: ok 527 # charge
171: ok 528 # charge
171: ok 529 # charge
171: ok 530 # charge
171: ok 531 # charge
171: ok 532 # charge
171: ok 533 # charge
171: ok 534 # charge
171: ok 535 # dipole
171: ok 536 # charge
171: ok 537 # charge
171: ok 538 # charge
171: ok 539 # charge
171: ok 540 # charge
171: ok 541 # charge
171: ok 542 # charge
171: ok 543 # charge
171: ok 544 # charge
171: ok 545 # charge
171: ok 546 # charge
171: ok 547 # charge
171: ok 548 # charge
171: ok 549 # charge
171: ok 550 # charge
171: ok 551 # charge
171: ok 552 # charge
171: ok 553 # charge
171: ok 554 # charge
171: ok 555 # charge
171: ok 556 # charge
171: ok 557 # charge
171: ok 558 # charge
171: ok 559 # charge
171: ok 560 # charge
171: ok 561 # charge
171: ok 562 # charge
171: ok 563 # dipole
171: ok 564 # charge
171: ok 565 # charge
171: ok 566 # charge
171: ok 567 # charge
171: ok 568 # charge
171: ok 569 # charge
171: ok 570 # charge
171: ok 571 # charge
171: ok 572 # charge
171: ok 573 # charge
171: ok 574 # charge
171: ok 575 # charge
171: ok 576 # charge
171: ok 577 # charge
171: ok 578 # charge
171: ok 579 # charge
171: ok 580 # charge
171: ok 581 # charge
171: ok 582 # charge
171: ok 583 # charge
171: ok 584 # charge
171: ok 585 # charge
171: ok 586 # charge
171: ok 587 # charge
171: ok 588 # charge
171: ok 589 # charge
171: ok 590 # charge
171: ok 591 # charge
171: ok 592 # charge
171: ok 593 # charge
171: ok 594 # charge
171: ok 595 # charge
171: ok 596 # charge
171: ok 597 # charge
171: ok 598 # charge
171: ok 599 # charge
171: ok 600 # charge
171: ok 601 # charge
171: ok 602 # charge
171: ok 603 # charge
171: ok 604 # charge
171: ok 605 # charge
171: ok 606 # charge
171: ok 607 # charge
171: ok 608 # charge
171: ok 609 # charge
171: ok 610 # charge
171: ok 611 # charge
171: ok 612 # charge
171: ok 613 # charge
171: ok 614 # charge
171: ok 615 # charge
171: ok 616 # charge
171: ok 617 # charge
171: ok 618 # charge
171: ok 619 # charge
171: ok 620 # charge
171: ok 621 # charge
171: ok 622 # charge
171: ok 623 # charge
171: ok 624 # charge
171: ok 625 # charge
171: ok 626 # charge
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vyf_vyf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vzb_sqs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vzc_uul.sdf
168/223 Test #171: test_charge_gasteiger_1 ..........   Passed    0.12 sec
test 172
        Start 172: test_datatest_1
172: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "datatest" "1"
172: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
172: Environment variables: 
172:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
172:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
172: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3vzv_vzv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0a_ds5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0c_6ds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0g_w07.sdf
172: # Unit tests for data tables 
172: 1..2
172: ok 1
172: ok 2
169/223 Test #172: test_datatest_1 ..................   Passed    0.01 sec
test 173
        Start 173: test_ffgaff_1
173: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffgaff" "1"
173: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
173: Environment variables: 
173:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
173:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
173: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0h_w12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0i_o11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0j_t08.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0t_hpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0u_hpw.sdf
169: ok 334 # number of heavy atoms match
169: ok 335 # number of heavy atoms match
169: ok 336 # number of heavy atoms match
169: ok 337 # number of heavy atoms match
169: ok 338 # number of heavy atoms match
169: ok 339 # number of heavy atoms match
169: ok 340 # number of heavy atoms match
169: ok 341 # number of heavy atoms match
169: ok 342 # number of heavy atoms match
169: ok 343 # number of heavy atoms match
169: ok 344 # number of heavy atoms match
169: ok 345 # number of heavy atoms match
169: ok 346 # number of heavy atoms match
169: ok 347 # number of heavy atoms match
169: ok 348 # number of heavy atoms match
169: ok 349 # number of heavy atoms match
169: ok 350 # number of heavy atoms match
169: ok 351 # number of heavy atoms match
169: ok 352 # number of heavy atoms match
169: ok 353 # number of heavy atoms match
169: ok 354 # number of heavy atoms match
169: ok 355 # number of heavy atoms match
169: ok 356 # number of heavy atoms match
169: ok 357 # number of heavy atoms match
169: ok 358 # number of heavy atoms match
169: ok 359 # number of heavy atoms match
169: ok 360 # number of heavy atoms match
169: ok 361 # number of heavy atoms match
169: ok 362 # number of heavy atoms match
169: ok 363 # number of heavy atoms match
169: ok 364 # number of heavy atoms match
169: ok 365 # number of heavy atoms match
169: ok 366 # number of heavy atoms match
169: ok 367 # number of heavy atoms match
169: ok 368 # number of heavy atoms match
169: ok 369 # number of heavy atoms match
169: ok 370 # number of heavy atoms match
169: ok 371 # number of heavy atoms match
169: ok 372 # number of heavy atoms match
169: ok 373 # number of heavy atoms match
169: ok 374 # number of heavy atoms match
169: ok 375 # number of heavy atoms match
169: ok 376 # number of heavy atoms match
169: ok 377 # number of heavy atoms match
169: ok 378 # number of heavy atoms match
169: ok 379 # number of heavy atoms match
169: ok 380 # number of heavy atoms match
169: ok 381 # number of heavy atoms match
169: ok 382 # number of heavy atoms match
169: ok 383 # number of heavy atoms match
169: ok 384 # number of heavy atoms match
169: ok 385 # number of heavy atoms match
169: ok 386 # number of heavy atoms match
169: ok 387 # number of heavy atoms match
169: ok 388 # number of heavy atoms match
169: ok 389 # number of heavy atoms match
169: ok 390 # number of heavy atoms match
169: ok 391 # number of heavy atoms match
169: ok 392 # number of heavy atoms match
169: ok 393 # number of heavy atoms match
169: ok 394 # number of heavy atoms match
169: ok 395 # number of heavy atoms match
169: ok 396 # number of heavy atoms match
169: ok 397 # number of heavy atoms match
169: ok 398 # number of heavy atoms match
169: ok 399 # number of heavy atoms match
169: ok 400 # number of heavy atoms match
169: ok 401 # number of heavy atoms match
169: ok 402 # number of heavy atoms match
169: ok 403 # number of heavy atoms match
169: ok 404 # number of heavy atoms match
169: ok 405 # number of heavy atoms match
169: ok 406 # number of heavy atoms match
169: ok 407 # number of heavy atoms match
169: ok 408 # number of heavy atoms match
169: ok 409 # number of heavy atoms match
169: ok 410 # number of heavy atoms match
169: ok 411 # number of heavy atoms match
169: ok 412 # number of heavy atoms match
169: ok 413 # number of heavy atoms match
169: ok 414 # number of heavy atoms match
169: ok 415 # number of heavy atoms match
169: ok 416 # number of heavy atoms match
169: ok 417 # number of heavy atoms match
169: ok 418 # number of heavy atoms match
169: ok 419 # number of heavy atoms match
169: ok 420 # number of heavy atoms match
169: ok 421 # number of heavy atoms match
169: ok 422 # number of heavy atoms match
169: ok 423 # number of heavy atoms match
169: ok 424 # number of heavy atoms match
169: ok 425 # number of heavy atoms match
169: ok 426 # number of heavy atoms match
169: ok 427 # number of heavy atoms match
169: ok 428 # number of heavy atoms match
169: ok 429 # number of heavy atoms match
169: ok 430 # number of heavy atoms match
169: ok 431 # number of heavy atoms match
169: ok 432 # number of heavy atoms match
169: ok 433 # number of heavy atoms match
169: ok 434 # number of heavy atoms match
169: ok 435 # number of heavy atoms match
169: ok 436 # number of heavy atoms match
169: ok 437 # number of heavy atoms match
169: ok 438 # number of heavy atoms match
169: ok 439 # number of heavy atoms match
169: ok 440 # number of heavy atoms match
169: ok 441 # number of heavy atoms match
169: ok 442 # number of heavy atoms match
169: ok 443 # number of heavy atoms match
169: ok 444 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w0y_ds4.sdf
173: # Testing GAFF Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w10_ro9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w18_n13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1f_1o5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1l_hro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1m_rro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1n_iro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1p_ero.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1q_yro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1r_mro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1t_wro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1u_lro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w1x_xro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w22_2ro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w23_3ro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2c_n15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2j_qro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2k_kro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2l_vro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2m_zro.sdf
170: ok 1 # dipole
170: ok 2 # charge
170: ok 3 # charge
170: ok 4 # charge
170: ok 5 # charge
170: ok 6 # charge
170: ok 7 # charge
170: ok 8 # charge
170: ok 9 # charge
170: ok 10 # charge
170: ok 11 # charge
170: ok 12 # charge
170: ok 13 # charge
170: ok 14 # charge
170: ok 15 # charge
170: ok 16 # charge
170: ok 17 # charge
170: ok 18 # charge
170: ok 19 # charge
170: ok 20 # charge
170: ok 21 # charge
170: ok 22 # charge
170: ok 23 # charge
170: ok 24 # charge
170: ok 25 # charge
170: ok 26 # charge
170: ok 27 # charge
170: ok 28 # charge
170: ok 29 # charge
170: ok 30 # charge
170: ok 31 # charge
170: ok 32 # charge
170: ok 33 # charge
170: ok 34 # charge
170: ok 35 # charge
170: ok 36 # charge
170: ok 37 # charge
170: ok 38 # charge
170: ok 39 # charge
170: ok 40 # charge
170: ok 41 # dipole
170: ok 42 # charge
170: ok 43 # charge
170: ok 44 # charge
170: ok 45 # charge
170: ok 46 # charge
170: ok 47 # charge
170: ok 48 # charge
170: ok 49 # dipole
170: ok 50 # charge
170: ok 51 # charge
170: ok 52 # charge
170: ok 53 # charge
170: ok 54 # charge
170: ok 55 # charge
170: ok 56 # charge
170: ok 57 # charge
170: ok 58 # charge
170: ok 59 # dipole
170: ok 60 # charge
170: ok 61 # charge
170: ok 62 # charge
170: ok 63 # charge
170: ok 64 # charge
170: ok 65 # charge
170: ok 66 # charge
170: ok 67 # charge
170: ok 68 # dipole
170: ok 69 # charge
170: ok 70 # charge
170: ok 71 # charge
170: ok 72 # charge
170: ok 73 # charge
170: ok 74 # charge
170: ok 75 # charge
170: ok 76 # charge
170: ok 77 # charge
170: ok 78 # charge
170: ok 79 # charge
170: ok 80 # charge
170: ok 81 # charge
170: ok 82 # dipole
170: ok 83 # charge
170: ok 84 # charge
170: ok 85 # charge
170: ok 86 # charge
170: ok 87 # charge
170: ok 88 # charge
170: ok 89 # charge
170: ok 90 # charge
170: ok 91 # charge
170: ok 92 # charge
170: ok 93 # charge
170: ok 94 # charge
170: ok 95 # charge
170: ok 96 # dipole
170: ok 97 # charge
170: ok 98 # charge
170: ok 99 # charge
170: ok 100 # charge
170: ok 101 # charge
170: ok 102 # charge
170: ok 103 # charge
170: ok 104 # charge
170: ok 105 # charge
170: ok 106 # charge
170: ok 107 # charge
170: ok 108 # charge
170: ok 109 # charge
170: ok 110 # charge
170: ok 111 # charge
170: ok 112 # charge
170: ok 113 # charge
170: ok 114 # charge
170: ok 115 # charge
170: ok 116 # charge
170: ok 117 # charge
170: ok 118 # charge
170: ok 119 # charge
170: ok 120 # charge
170: ok 121 # charge
170: ok 122 # charge
170: ok 123 # charge
170: ok 124 # charge
170: ok 125 # charge
170: ok 126 # charge
170: ok 127 # charge
170: ok 128 # charge
170: ok 129 # charge
170: ok 130 # charge
170: ok 131 # charge
170: ok 132 # charge
170: ok 133 # charge
170: ok 134 # charge
170: ok 135 # charge
170: ok 136 # charge
170: ok 137 # charge
170: ok 138 # charge
170: ok 139 # charge
170: ok 140 # charge
170: ok 141 # charge
170: ok 142 # charge
170: ok 143 # charge
170: ok 144 # charge
170: ok 145 # charge
170: ok 146 # charge
170: ok 147 # charge
170: ok 148 # charge
170: ok 149 # charge
170: ok 150 # charge
170: ok 151 # charge
170: ok 152 # charge
170: ok 153 # charge
170: ok 154 # charge
170: ok 155 # charge
170: ok 156 # charge
170: ok 157 # charge
170: ok 158 # charge
170: ok 159 # charge
170: ok 160 # charge
170: ok 161 # charge
170: ok 162 # dipole
170: ok 163 # charge
170: ok 164 # charge
170: ok 165 # charge
170: ok 166 # charge
170: ok 167 # charge
170: ok 168 # charge
170: ok 169 # charge
170: ok 170 # charge
170: ok 171 # charge
170: ok 172 # charge
170: ok 173 # charge
170: ok 174 # charge
170: ok 175 # charge
170: ok 176 # charge
170: ok 177 # charge
170: ok 178 # charge
170: ok 179 # charge
170: ok 180 # charge
170: ok 181 # charge
170: ok 182 # charge
170: ok 183 # charge
170: ok 184 # charge
170: ok 185 # charge
170: ok 186 # charge
170: ok 187 # dipole
170: ok 188 # charge
170: ok 189 # charge
170: ok 190 # charge
170: ok 191 # charge
170: ok 192 # charge
170: ok 193 # charge
170: ok 194 # charge
170: ok 195 # charge
170: ok 196 # charge
170: ok 197 # charge
170: ok 198 # charge
170: ok 199 # charge
170: ok 200 # charge
170: ok 201 # charge
170: ok 202 # charge
170: ok 203 # charge
170: ok 204 # charge
170: ok 205 # charge
170: ok 206 # charge
170: ok 207 # charge
170: ok 208 # charge
170: ok 209 # charge
170: ok 210 # charge
170: ok 211 # charge
170: ok 212 # charge
170: ok 213 # charge
170: ok 214 # charge
170: ok 215 # charge
170: ok 216 # charge
170: ok 217 # charge
170: ok 218 # charge
170: ok 219 # charge
170: ok 220 # charge
170: ok 221 # charge
170: ok 222 # charge
170: ok 223 # charge
170: ok 224 # charge
170: ok 225 # charge
170: ok 226 # charge
170: ok 227 # charge
170: ok 228 # charge
170: ok 229 # charge
170: ok 230 # charge
170: ok 231 # charge
170: ok 232 # charge
170: ok 233 # charge
170: ok 234 # charge
170: ok 235 # charge
170: ok 236 # charge
170: ok 237 # charge
170: ok 238 # charge
170: ok 239 # charge
170: ok 240 # charge
170: ok 241 # charge
170: ok 242 # charge
170: ok 243 # charge
170: ok 244 # charge
170: ok 245 # charge
170: ok 246 # charge
170: ok 247 # charge
170: ok 248 # dipole
170: ok 249 # charge
170: ok 250 # charge
170: ok 251 # charge
170: ok 252 # charge
170: ok 253 # charge
170: ok 254 # charge
170: ok 255 # charge
170: ok 256 # charge
170: ok 257 # charge
170: ok 258 # charge
170: ok 259 # charge
170: ok 260 # charge
170: ok 261 # charge
170: ok 262 # charge
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2n_rod.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2o_03p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2s_w2r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w2u_rou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w32_w32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w33_w19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w3j_c09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w3k_l07.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w3l_rx8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w3o_roe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w4i_8lg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w4j_2ld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w4k_3ld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w54_rnb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w55_1fm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w5e_nvw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w5q_3kl.sdf
169: ok 445 # number of heavy atoms match
169: ok 446 # number of heavy atoms match
169: ok 447 # number of heavy atoms match
169: ok 448 # number of heavy atoms match
169: ok 449 # number of heavy atoms match
169: ok 450 # number of heavy atoms match
169: ok 451 # number of heavy atoms match
169: ok 452 # number of heavy atoms match
169: ok 453 # number of heavy atoms match
169: ok 454 # number of heavy atoms match
169: ok 455 # number of heavy atoms match
169: ok 456 # number of heavy atoms match
169: ok 457 # number of heavy atoms match
169: ok 458 # number of heavy atoms match
169: ok 459 # number of heavy atoms match
169: ok 460 # number of heavy atoms match
169: ok 461 # number of heavy atoms match
169: ok 462 # number of heavy atoms match
169: ok 463 # number of heavy atoms match
169: ok 464 # number of heavy atoms match
169: ok 465 # number of heavy atoms match
169: ok 466 # number of heavy atoms match
169: ok 467 # number of heavy atoms match
169: ok 468 # number of heavy atoms match
169: ok 469 # number of heavy atoms match
169: ok 470 # number of heavy atoms match
169: ok 471 # number of heavy atoms match
169: ok 472 # number of heavy atoms match
169: ok 473 # number of heavy atoms match
169: ok 474 # number of heavy atoms match
169: ok 475 # number of heavy atoms match
169: ok 476 # number of heavy atoms match
169: ok 477 # number of heavy atoms match
169: ok 478 # number of heavy atoms match
169: ok 479 # number of heavy atoms match
169: ok 480 # number of heavy atoms match
169: ok 481 # number of heavy atoms match
169: ok 482 # number of heavy atoms match
169: ok 483 # number of heavy atoms match
169: ok 484 # number of heavy atoms match
169: ok 485 # number of heavy atoms match
169: ok 486 # number of heavy atoms match
169: ok 487 # number of heavy atoms match
169: ok 488 # number of heavy atoms match
169: ok 489 # number of heavy atoms match
169: ok 490 # number of heavy atoms match
169: ok 491 # number of heavy atoms match
169: ok 492 # number of heavy atoms match
169: ok 493 # number of heavy atoms match
169: ok 494 # number of heavy atoms match
169: ok 495 # number of heavy atoms match
169: ok 496 # number of heavy atoms match
169: ok 497 # number of heavy atoms match
169: ok 498 # number of heavy atoms match
169: ok 499 # number of heavy atoms match
169: ok 500 # number of heavy atoms match
169: ok 501 # number of heavy atoms match
169: ok 502 # number of heavy atoms match
169: ok 503 # number of heavy atoms match
169: ok 504 # number of heavy atoms match
169: ok 505 # number of heavy atoms match
169: ok 506 # number of heavy atoms match
169: ok 507 # number of heavy atoms match
169: ok 508 # number of heavy atoms match
169: ok 509 # number of heavy atoms match
169: ok 510 # number of heavy atoms match
169: ok 511 # number of heavy atoms match
169: ok 512 # number of heavy atoms match
169: ok 513 # number of heavy atoms match
169: ok 514 # number of heavy atoms match
169: ok 515 # number of heavy atoms match
169: ok 516 # number of heavy atoms match
169: ok 517 # number of heavy atoms match
169: ok 518 # number of heavy atoms match
169: ok 519 # number of heavy atoms match
169: ok 520 # number of heavy atoms match
169: ok 521 # number of heavy atoms match
169: ok 522 # number of heavy atoms match
169: ok 523 # number of heavy atoms match
169: ok 524 # number of heavy atoms match
169: ok 525 # number of heavy atoms match
169: ok 526 # number of heavy atoms match
169: ok 527 # number of heavy atoms match
169: ok 528 # number of heavy atoms match
169: ok 529 # number of heavy atoms match
169: ok 530 # number of heavy atoms match
169: ok 531 # number of heavy atoms match
169: ok 532 # number of heavy atoms match
169: ok 533 # number of heavy atoms match
169: ok 534 # number of heavy atoms match
169: ok 535 # number of heavy atoms match
169: ok 536 # number of heavy atoms match
169: ok 537 # number of heavy atoms match
169: ok 538 # number of heavy atoms match
169: ok 539 # number of heavy atoms match
169: ok 540 # number of heavy atoms match
169: ok 541 # number of heavy atoms match
169: ok 542 # number of heavy atoms match
169: ok 543 # number of heavy atoms match
169: ok 544 # number of heavy atoms match
169: ok 545 # number of heavy atoms match
169: ok 546 # number of heavy atoms match
169: ok 547 # number of heavy atoms match
169: ok 548 # number of heavy atoms match
169: ok 549 # number of heavy atoms match
169: ok 550 # number of heavy atoms match
169: ok 551 # number of heavy atoms match
169: ok 552 # number of heavy atoms match
169: ok 553 # number of heavy atoms match
169: ok 554 # number of heavy atoms match
169: ok 555 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w5r_loa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w5t_lhp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w68_viv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w69_ltz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w6y_w6y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w70_w70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w72_w7b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w73_w73.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w74_w74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w75_w75.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w76_w76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7c_w7c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7d_w7d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7e_w7f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7g_w7g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7h_w7h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7i_w7i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7j_w7j.sdf
170: ok 263 # charge
170: ok 264 # charge
170: ok 265 # charge
170: ok 266 # charge
170: ok 267 # charge
170: ok 268 # charge
170: ok 269 # charge
170: ok 270 # charge
170: ok 271 # charge
170: ok 272 # charge
170: ok 273 # dipole
170: ok 274 # charge
170: ok 275 # charge
170: ok 276 # charge
170: ok 277 # charge
170: ok 278 # charge
170: ok 279 # charge
170: ok 280 # charge
170: ok 281 # charge
170: ok 282 # charge
170: ok 283 # charge
170: ok 284 # charge
170: ok 285 # charge
170: ok 286 # charge
170: ok 287 # charge
170: ok 288 # charge
170: ok 289 # charge
170: ok 290 # charge
170: ok 291 # charge
170: ok 292 # charge
170: ok 293 # charge
170: ok 294 # charge
170: ok 295 # charge
170: ok 296 # charge
170: ok 297 # charge
170: ok 298 # charge
170: ok 299 # charge
170: ok 300 # charge
170: ok 301 # charge
170: ok 302 # charge
170: ok 303 # charge
170: ok 304 # charge
170: ok 305 # charge
170: ok 306 # charge
170: ok 307 # charge
170: ok 308 # charge
170: ok 309 # charge
170: ok 310 # charge
170: ok 311 # charge
170: ok 312 # charge
170: ok 313 # charge
170: ok 314 # charge
170: ok 315 # charge
170: ok 316 # charge
170: ok 317 # charge
170: ok 318 # charge
170: ok 319 # charge
170: ok 320 # charge
170: ok 321 # charge
170: ok 322 # charge
170: ok 323 # charge
170: ok 324 # charge
170: ok 325 # charge
170: ok 326 # charge
170: ok 327 # charge
170: ok 328 # charge
170: ok 329 # charge
170: ok 330 # charge
170: ok 331 # charge
170: ok 332 # charge
170: ok 333 # charge
170: ok 334 # charge
170: ok 335 # charge
170: ok 336 # charge
170: ok 337 # charge
170: ok 338 # charge
170: ok 339 # charge
170: ok 340 # charge
170: ok 341 # charge
170: ok 342 # charge
170: ok 343 # charge
170: ok 344 # charge
170: ok 345 # charge
170: ok 346 # charge
170: ok 347 # charge
170: ok 348 # dipole
170: ok 349 # charge
170: ok 350 # charge
170: ok 351 # charge
170: ok 352 # charge
170: ok 353 # charge
170: ok 354 # charge
170: ok 355 # charge
170: ok 356 # charge
170: ok 357 # charge
170: ok 358 # charge
170: ok 359 # charge
170: ok 360 # charge
170: ok 361 # charge
170: ok 362 # charge
170: ok 363 # charge
170: ok 364 # charge
170: ok 365 # charge
170: ok 366 # charge
170: ok 367 # charge
170: ok 368 # charge
170: ok 369 # charge
170: ok 370 # charge
170: ok 371 # charge
170: ok 372 # charge
170: ok 373 # charge
170: ok 374 # charge
170: ok 375 # charge
170: ok 376 # charge
170: ok 377 # charge
170: ok 378 # charge
170: ok 379 # charge
170: ok 380 # charge
170: ok 381 # charge
170: ok 382 # charge
170: ok 383 # charge
170: ok 384 # charge
170: ok 385 # charge
170: ok 386 # charge
170: ok 387 # charge
170: ok 388 # charge
170: ok 389 # charge
170: ok 390 # charge
170: ok 391 # dipole
170: ok 392 # charge
170: ok 393 # charge
170: ok 394 # charge
170: ok 395 # charge
170: ok 396 # charge
170: ok 397 # charge
170: ok 398 # charge
170: ok 399 # charge
170: ok 400 # charge
170: ok 401 # charge
170: ok 402 # charge
170: ok 403 # charge
170: ok 404 # charge
170: ok 405 # charge
170: ok 406 # charge
170: ok 407 # charge
170: ok 408 # charge
170: ok 409 # charge
170: ok 410 # charge
170: ok 411 # charge
170: ok 412 # charge
170: ok 413 # charge
170: ok 414 # charge
170: ok 415 # charge
170: ok 416 # charge
170: ok 417 # charge
170: ok 418 # charge
170: ok 419 # charge
170: ok 420 # charge
170: ok 421 # charge
170: ok 422 # charge
170: ok 423 # charge
170: ok 424 # charge
170: ok 425 # charge
170: ok 426 # charge
170: ok 427 # charge
170: ok 428 # charge
170: ok 429 # dipole
170: ok 430 # charge
170: ok 431 # charge
170: ok 432 # charge
170: ok 433 # charge
170: ok 434 # charge
170: ok 435 # charge
170: ok 436 # charge
170: ok 437 # charge
170: ok 438 # charge
170: ok 439 # charge
170: ok 440 # charge
170: ok 441 # charge
170: ok 442 # charge
170: ok 443 # charge
170: ok 444 # charge
170: ok 445 # charge
170: ok 446 # charge
170: ok 447 # charge
170: ok 448 # charge
170: ok 449 # charge
170: ok 450 # charge
170: ok 451 # charge
170: ok 452 # charge
170: ok 453 # charge
170: ok 454 # charge
170: ok 455 # charge
170: ok 456 # charge
170: ok 457 # charge
170: ok 458 # charge
170: ok 459 # charge
170: ok 460 # charge
170: ok 461 # charge
170: ok 462 # charge
170: ok 463 # charge
170: ok 464 # charge
170: ok 465 # charge
170: ok 466 # charge
170: ok 467 # charge
170: ok 468 # charge
170: ok 469 # dipole
170: ok 470 # charge
170: ok 471 # charge
170: ok 472 # charge
170: ok 473 # charge
170: ok 474 # charge
170: ok 475 # charge
170: ok 476 # charge
170: ok 477 # charge
170: ok 478 # charge
170: ok 479 # charge
170: ok 480 # charge
170: ok 481 # charge
170: ok 482 # charge
170: ok 483 # charge
170: ok 484 # charge
170: ok 485 # charge
170: ok 486 # charge
170: ok 487 # charge
170: ok 488 # charge
170: ok 489 # charge
170: ok 490 # charge
170: ok 491 # charge
170: ok 492 # charge
170: ok 493 # charge
170: ok 494 # charge
170: ok 495 # charge
170: ok 496 # charge
170: ok 497 # charge
170: ok 498 # charge
170: ok 499 # charge
170: ok 500 # charge
170: ok 501 # charge
170: ok 502 # charge
170: ok 503 # dipole
170: ok 504 # charge
170: ok 505 # charge
170: ok 506 # charge
170: ok 507 # charge
170: ok 508 # charge
170: ok 509 # charge
170: ok 510 # charge
170: ok 511 # charge
170: ok 512 # charge
170: ok 513 # charge
170: ok 514 # charge
170: ok 515 # charge
170: ok 516 # charge
170: ok 517 # charge
170: ok 518 # charge
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7k_w7k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7l_w7l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7m_w7m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7n_w7n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7o_w7o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7p_w7p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7q_w7q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w7r_w7a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w83_w83.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w84_w8z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w85_w85.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w86_w86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w87_w87.sdf
170: ok 519 # charge
170: ok 520 # charge
170: ok 521 # charge
170: ok 522 # charge
170: ok 523 # charge
170: ok 524 # charge
170: ok 525 # charge
170: ok 526 # charge
170: ok 527 # charge
170: ok 528 # charge
170: ok 529 # charge
170: ok 530 # charge
170: ok 531 # charge
170: ok 532 # charge
170: ok 533 # charge
170: ok 534 # charge
170: ok 535 # dipole
170: ok 536 # charge
170: ok 537 # charge
170: ok 538 # charge
170: ok 539 # charge
170: ok 540 # charge
170: ok 541 # charge
170: ok 542 # charge
170: ok 543 # charge
170: ok 544 # charge
170: ok 545 # charge
170: ok 546 # charge
170: ok 547 # charge
170: ok 548 # charge
170: ok 549 # charge
170: ok 550 # charge
170: ok 551 # charge
170: ok 552 # charge
170: ok 553 # charge
170: ok 554 # charge
170: ok 555 # charge
170: ok 556 # charge
170: ok 557 # charge
170: ok 558 # charge
170: ok 559 # charge
170: ok 560 # charge
170: ok 561 # charge
170: ok 562 # charge
170: ok 563 # dipole
170: ok 564 # charge
170: ok 565 # charge
170: ok 566 # charge
170: ok 567 # charge
170: ok 568 # charge
170: ok 569 # charge
170: ok 570 # charge
170: ok 571 # charge
170: ok 572 # charge
170: ok 573 # charge
170: ok 574 # charge
170: ok 575 # charge
170: ok 576 # charge
170: ok 577 # charge
170: ok 578 # charge
170: ok 579 # charge
170: ok 580 # charge
170: ok 581 # charge
170: ok 582 # charge
170: ok 583 # charge
170: ok 584 # charge
170: ok 585 # charge
170: ok 586 # charge
170: ok 587 # charge
170: ok 588 # charge
170: ok 589 # charge
170: ok 590 # charge
170: ok 591 # charge
170: ok 592 # charge
170: ok 593 # charge
170: ok 594 # charge
170: ok 595 # charge
170: ok 596 # charge
170: ok 597 # charge
170: ok 598 # charge
170: ok 599 # charge
170: ok 600 # charge
170: ok 601 # charge
170: ok 602 # charge
170: ok 603 # charge
170: ok 604 # charge
170: ok 605 # charge
170: ok 606 # charge
170: ok 607 # charge
170: ok 608 # charge
170: ok 609 # charge
170: ok 610 # charge
170: ok 611 # charge
170: ok 612 # charge
170: ok 613 # charge
170: ok 614 # charge
170: ok 615 # charge
170: ok 616 # charge
170: ok 617 # charge
170: ok 618 # charge
170: ok 619 # charge
170: ok 620 # charge
170: ok 621 # charge
170: ok 622 # charge
170: ok 623 # charge
170: ok 624 # charge
170: ok 625 # charge
170: ok 626 # charge
170: 1..626
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w88_w88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w9b_pe8.sdf
170/223 Test #170: test_charge_mmff94_1 .............   Passed    0.24 sec
test 174
        Start 174: test_ffghemical_1
174: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffghemical" "1"
174: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
174: Environment variables: 
174:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
174:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
174: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3w9h_p9d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wab_ddw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wav_dwv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3waw_dww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wax_dwx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3way_dwy.sdf
173: ok 1 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
173:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
173:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
173:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
173:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
173:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
173:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
173:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
173:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
173:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
173:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
173:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
173:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
173:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
173:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
173:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
173:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
173:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
173:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
173:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
173:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
173:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
173:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
173:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
173:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
173:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
173:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
173:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
173:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
173:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
173:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
173:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
173:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
173:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
174: # Testing Ghemical Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wb2_ygp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wc5_ddk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wc7_ef1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wcf_bh8.sdf
173:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
173:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
173:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
173:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
173:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
173:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
173:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
173:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
173:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
173:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
173:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
173:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
173:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
173:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
173:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
173: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
173:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
173:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
173:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
173:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
173: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
173:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
173:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
173:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
173: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
173:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
173:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
173:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
173: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
173:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wch_8ph.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wci_bh5.sdf
169: ok 556 # number of heavy atoms match
169: ok 557 # number of heavy atoms match
169: ok 558 # number of heavy atoms match
169: ok 559 # number of heavy atoms match
169: ok 560 # number of heavy atoms match
169: ok 561 # number of heavy atoms match
169: ok 562 # number of heavy atoms match
169: ok 563 # number of heavy atoms match
169: ok 564 # number of heavy atoms match
169: ok 565 # number of heavy atoms match
169: ok 566 # number of heavy atoms match
169: ok 567 # number of heavy atoms match
169: ok 568 # number of heavy atoms match
169: ok 569 # number of heavy atoms match
169: ok 570 # number of heavy atoms match
169: ok 571 # number of heavy atoms match
169: ok 572 # number of heavy atoms match
169: ok 573 # number of heavy atoms match
169: ok 574 # number of heavy atoms match
169: ok 575 # number of heavy atoms match
169: ok 576 # number of heavy atoms match
169: ok 577 # number of heavy atoms match
169: ok 578 # number of heavy atoms match
169: ok 579 # number of heavy atoms match
169: ok 580 # number of heavy atoms match
169: ok 581 # number of heavy atoms match
169: ok 582 # number of heavy atoms match
169: ok 583 # number of heavy atoms match
169: ok 584 # number of heavy atoms match
169: ok 585 # number of heavy atoms match
169: ok 586 # number of heavy atoms match
169: ok 587 # number of heavy atoms match
169: ok 588 # number of heavy atoms match
169: ok 589 # number of heavy atoms match
169: ok 590 # number of heavy atoms match
169: ok 591 # number of heavy atoms match
169: ok 592 # number of heavy atoms match
169: ok 593 # number of heavy atoms match
169: ok 594 # number of heavy atoms match
169: ok 595 # number of heavy atoms match
169: ok 596 # number of heavy atoms match
169: ok 597 # number of heavy atoms match
169: ok 598 # number of heavy atoms match
169: ok 599 # number of heavy atoms match
169: ok 600 # number of heavy atoms match
169: ok 601 # number of heavy atoms match
169: ok 602 # number of heavy atoms match
169: ok 603 # number of heavy atoms match
169: ok 604 # number of heavy atoms match
169: ok 605 # number of heavy atoms match
169: ok 606 # number of heavy atoms match
169: ok 607 # number of heavy atoms match
169: ok 608 # number of heavy atoms match
169: ok 609 # number of heavy atoms match
169: ok 610 # number of heavy atoms match
169: ok 611 # number of heavy atoms match
169: ok 612 # number of heavy atoms match
169: ok 613 # number of heavy atoms match
169: ok 614 # number of heavy atoms match
169: ok 615 # number of heavy atoms match
169: ok 616 # number of heavy atoms match
169: ok 617 # number of heavy atoms match
169: ok 618 # number of heavy atoms match
169: ok 619 # number of heavy atoms match
169: ok 620 # number of heavy atoms match
169: ok 621 # number of heavy atoms match
169: ok 622 # number of heavy atoms match
169: ok 623 # number of heavy atoms match
169: ok 624 # number of heavy atoms match
169: ok 625 # number of heavy atoms match
169: ok 626 # number of heavy atoms match
169: ok 627 # number of heavy atoms match
169: ok 628 # number of heavy atoms match
169: ok 629 # number of heavy atoms match
169: ok 630 # number of heavy atoms match
169: ok 631 # number of heavy atoms match
169: ok 632 # number of heavy atoms match
169: ok 633 # number of heavy atoms match
169: ok 634 # number of heavy atoms match
169: ok 635 # number of heavy atoms match
169: ok 636 # number of heavy atoms match
169: ok 637 # number of heavy atoms match
169: ok 638 # number of heavy atoms match
169: ok 639 # number of heavy atoms match
169: ok 640 # number of heavy atoms match
169: ok 641 # number of heavy atoms match
169: ok 642 # number of heavy atoms match
169: ok 643 # number of heavy atoms match
169: ok 644 # number of heavy atoms match
169: ok 645 # number of heavy atoms match
169: ok 646 # number of heavy atoms match
169: ok 647 # number of heavy atoms match
169: ok 648 # number of heavy atoms match
169: ok 649 # number of heavy atoms match
169: ok 650 # number of heavy atoms match
169: ok 651 # number of heavy atoms match
169: ok 652 # number of heavy atoms match
169: ok 653 # number of heavy atoms match
169: ok 654 # number of heavy atoms match
169: ok 655 # number of heavy atoms match
169: ok 656 # number of heavy atoms match
169: ok 657 # number of heavy atoms match
169: ok 658 # number of heavy atoms match
169: ok 659 # number of heavy atoms match
169: ok 660 # number of heavy atoms match
169: ok 661 # number of heavy atoms match
169: ok 662 # number of heavy atoms match
169: ok 663 # number of heavy atoms match
169: ok 664 # number of heavy atoms match
169: ok 665 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wcj_e5s.sdf
173:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
173:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
173:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
173: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
173:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
173:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
173:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
173:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
173: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
173:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
173:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
173:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
173:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
173: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
173:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
173:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
173:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
173: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
173:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
173:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
173:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
173:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
173: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
173:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
173:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
173:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
173: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
173:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
173:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
173:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wcl_bh3.sdf
173:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
173: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
173:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
173:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
173:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
173: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
173:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
173:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
173:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
173: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
173:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
173:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
173:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
173:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
173: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
173:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
173:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
173:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
173: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
173:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
173:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
173:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
173:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
173: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
173:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
173:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
173:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
173:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wcm_er4.sdf
173: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
173:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
173:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
173:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
173:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
173: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
173:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
173:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
173:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
173:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
173: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
173:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
173:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
173:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
173:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
173: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
173:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
173:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
173: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
173:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
173:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
173: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
173:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
173:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
173: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
173:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
173:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wd1_st7.sdf
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
173:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
173: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
173:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
173:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
173:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
173: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
173:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
173:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
173:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
173: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
173:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
173:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
173:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
173: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
173:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
173:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
173:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
173:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
173: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
173:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
173:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
173:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
173: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
173:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
173:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
173:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
173:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wd4_a1l.sdf
173:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
173: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
173:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
173:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
173:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
173: ok 2 # gradients 
173: ok 3 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -2.416,   1.336,  -0.580)  ( -2.381,   1.366,  -0.572)  ( 1.47,  2.25,  0.45)
173:     bond    (  1.668,   2.101,   0.514)  (  1.697,   2.122,   0.516)  ( 1.75,  1.00,  0.10)
173:     angle   ( -2.813,   0.148,  -0.737)  ( -2.807,   0.157,  -0.737)  ( 0.22,  0.13,  0.03)
173:     torsion ( -0.004,  -0.000,   0.007)  ( -0.003,  -0.000,   0.013)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.503,  -0.363,  -0.145)  ( -0.503,  -0.363,  -0.145)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.764,  -0.550,  -0.219)  ( -0.764,  -0.550,  -0.219)  ( 0.00,  0.00,  0.00)
173:  2       (-20.144, -28.711,  -6.120)  (-20.107, -28.679,  -6.117)  ( 0.18,  0.11,  0.05)
173:     bond    (-23.264, -13.153,  -6.554)  (-23.234, -13.130,  -6.552)  ( 0.13,  0.17,  0.03)
173:     angle   (  3.116, -15.559,   0.458)  (  3.122, -15.549,   0.455)  ( 0.20,  0.06,  0.16)
173:     torsion (  0.005,   0.001,  -0.024)  (  0.005,   0.001,  -0.020)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -4.496,  -1.207,  -1.210)  ( -4.490,  -1.196,  -1.209)  ( 0.14,  0.89,  0.14)
173:     bond    ( -1.865,  -2.844,  -0.582)  ( -1.861,  -2.835,  -0.582)  ( 0.23,  0.34,  0.02)
173:     angle   ( -1.717,   1.210,  -0.414)  ( -1.715,   1.211,  -0.414)  ( 0.12,  0.08,  0.01)
173:     torsion ( -0.004,  -0.000,   0.013)  ( -0.004,  -0.000,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.757,   0.117,  -0.196)  ( -0.757,   0.117,  -0.196)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.153,   0.311,  -0.031)  ( -0.153,   0.311,  -0.031)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.619,   3.694,  -0.063)  ( -0.613,   3.706,  -0.062)  ( 0.34,  0.32,  0.01)
173:     bond    ( -0.396,   0.739,  -0.080)  ( -0.393,   0.750,  -0.080)  ( 0.12,  0.83,  0.00)
173:     angle   (  4.743,   2.628,   1.337)  (  4.745,   2.629,   1.337)  ( 0.05,  0.03,  0.01)
173:     torsion (  0.005,   0.001,  -0.019)  (  0.005,   0.001,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.367,  -0.181,  -1.422)  ( -5.367,  -0.181,  -1.422)  ( 0.00,  0.00,  0.00)
173:     electro (  0.397,   0.506,   0.121)  (  0.397,   0.506,   0.121)  ( 0.00,  0.00,  0.00)
173:  5       ( 14.833,  -8.003,   3.652)  ( 14.839,  -7.991,   3.654)  ( 0.04,  0.15,  0.04)
173:     bond    (  6.026, -12.251,   1.200)  (  6.028, -12.240,   1.200)  ( 0.05,  0.09,  0.00)
173:     angle   (  7.069,   3.677,   1.984)  (  7.072,   3.677,   1.984)  ( 0.04,  0.02,  0.01)
173:     torsion (  0.002,   0.000,  -0.009)  (  0.002,   0.000,  -0.008)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.795,  -0.091,   0.207)  (  0.795,  -0.091,   0.207)  ( 0.00,  0.00,  0.00)
173:     electro (  0.941,   0.663,   0.270)  (  0.941,   0.663,   0.270)  ( 0.00,  0.00,  0.00)
173:  6       ( 84.204, 153.028,  26.891)  ( 84.228, 153.069,  26.875)  ( 0.03,  0.03,  0.06)
173:     bond    ( 97.856, 137.509,  30.243)  ( 97.875, 137.547,  30.246)  ( 0.02,  0.03,  0.01)
173:     angle   (-19.851,  15.136,  -5.020)  (-19.847,  15.139,  -5.039)  ( 0.02,  0.02,  0.37)
173:     torsion ( -0.005,  -0.001,   0.018)  ( -0.005,  -0.001,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.516,   0.198,   1.462)  (  5.516,   0.198,   1.462)  ( 0.00,  0.00,  0.00)
173:     electro (  0.688,   0.186,   0.188)  (  0.688,   0.186,   0.188)  ( 0.00,  0.00,  0.00)
173:  7       (-71.490, -120.302, -22.565)  (-71.475, -120.275, -22.569)  ( 0.02,  0.02,  0.02)
173:     bond    (-80.126, -112.242, -24.749)  (-80.112, -112.215, -24.747)  ( 0.02,  0.02,  0.01)
173:     angle   (  9.429,  -7.265,   2.419)  (  9.430,  -7.264,   2.413)  ( 0.01,  0.01,  0.23)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.316,   0.320,   0.094)  (  0.316,   0.320,   0.094)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.109,  -1.116,  -0.328)  ( -1.109,  -1.116,  -0.328)  ( 0.00,  0.00,  0.00)
173: ok 4 # gradients 
173: ok 5 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-15.578,  12.843, -21.710)  (-15.551,  12.869, -21.683)  ( 0.17,  0.20,  0.12)
173:     bond    (-23.897,   0.009,  -0.241)  (-23.879,   0.028,  -0.222)  ( 0.08,  0.02,  0.45)
173:     angle   (  9.184,   9.468, -16.237)  (  9.192,   9.475, -16.229)  ( 0.09,  0.07,  0.05)
173:     torsion ( -0.724,   3.315,  -5.141)  ( -0.724,   3.316,  -5.141)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.085,  -0.028,   0.049)  (  0.085,  -0.028,   0.049)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.226,   0.080,  -0.140)  ( -0.226,   0.080,  -0.140)  ( 0.00,  0.00,  0.00)
173:  2       ( 66.444, -20.112,  34.103)  ( 66.479, -20.099,  34.137)  ( 0.05,  0.07,  0.10)
173:     bond    ( 80.756,  -4.206,   7.454)  ( 80.781,  -4.197,   7.481)  ( 0.03,  0.23,  0.37)
173:     angle   (-14.451, -14.681,  25.955)  (-14.441, -14.678,  25.961)  ( 0.07,  0.02,  0.02)
173:     torsion (  0.139,  -1.225,   0.694)  (  0.139,  -1.224,   0.694)  ( 0.00,  0.09,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       (-29.182, -26.066,  44.177)  (-29.173, -26.060,  44.194)  ( 0.03,  0.02,  0.04)
173:     bond    (-25.038, -24.585,  42.258)  (-25.032, -24.579,  42.274)  ( 0.02,  0.02,  0.04)
173:     angle   ( -9.303,   2.374,  -4.127)  ( -9.300,   2.375,  -4.126)  ( 0.03,  0.01,  0.02)
173:     torsion (  0.000,  -0.282,  -0.164)  (  0.000,  -0.282,  -0.164)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.203,   0.230,  -0.381)  (  5.203,   0.230,  -0.381)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.044,  -3.803,   6.591)  ( -0.044,  -3.803,   6.591)  ( 0.00,  0.00,  0.00)
173:  4       ( 24.918,  38.241, -61.839)  ( 24.953,  38.251, -61.810)  ( 0.14,  0.03,  0.05)
173:     bond    (-28.645,  29.006, -49.921)  (-28.619,  29.013, -49.899)  ( 0.09,  0.03,  0.04)
173:     angle   ( 48.649,   7.158, -13.750)  ( 48.659,   7.159, -13.745)  ( 0.02,  0.02,  0.04)
173:     torsion (  0.017,   2.352,   1.351)  (  0.017,   2.354,   1.352)  ( 0.00,  0.07,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.319,  -0.635,   1.111)  (  7.319,  -0.635,   1.111)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wd4_qub.sdf
173:     electro ( -2.422,   0.360,  -0.629)  ( -2.422,   0.360,  -0.629)  ( 0.00,  0.00,  0.00)
173:  5       (-21.265,   6.874, -14.158)  (-21.258,   6.878, -14.147)  ( 0.03,  0.06,  0.08)
173:     bond    (  1.241,   1.282,  -2.290)  (  1.244,   1.286,  -2.280)  ( 0.26,  0.26,  0.46)
173:     angle   (-24.505,   6.123,  -9.921)  (-24.502,   6.123,  -9.921)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.015,  -1.247,  -0.712)  ( -0.015,  -1.247,  -0.712)  ( 0.00,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.129,   0.078,  -0.137)  ( -0.129,   0.078,  -0.137)  ( 0.00,  0.00,  0.00)
173:     electro (  2.143,   0.638,  -1.097)  (  2.143,   0.638,  -1.097)  ( 0.00,  0.00,  0.00)
173:  6       ( -9.157,  -4.798,   7.257)  ( -9.140,  -4.797,   7.260)  ( 0.19,  0.03,  0.04)
173:     bond    ( -9.043,  -0.339,   0.462)  ( -9.026,  -0.339,   0.462)  ( 0.19,  0.00,  0.00)
173:     angle   (  0.755,  -5.921,  10.394)  (  0.755,  -5.921,  10.396)  ( 0.00,  0.02,  0.03)
173:     torsion (  0.003,  -0.460,  -0.269)  (  0.003,  -0.459,  -0.269)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.127,   0.070,  -0.122)  ( -0.127,   0.070,  -0.122)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.745,   1.852,  -3.207)  ( -0.745,   1.852,  -3.207)  ( 0.00,  0.00,  0.00)
173:  7       ( -5.958,   3.771,   5.961)  ( -5.955,   3.784,   5.963)  ( 0.06,  0.35,  0.04)
173:     bond    (  0.880,   2.996,  -0.063)  (  0.882,   3.009,  -0.063)  ( 0.10,  0.43,  0.00)
173:     angle   ( -3.718,   1.192,   4.962)  ( -3.716,   1.192,   4.964)  ( 0.06,  0.01,  0.04)
173:     torsion (  0.288,  -0.026,   2.823)  (  0.288,  -0.026,   2.823)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.634,  -0.831,  -1.163)  ( -3.634,  -0.831,  -1.163)  ( 0.00,  0.00,  0.00)
173:     electro (  0.226,   0.440,  -0.598)  (  0.226,   0.440,  -0.598)  ( 0.00,  0.00,  0.00)
173:  8       ( -5.916,  -7.067,  -0.309)  ( -5.912,  -7.062,  -0.298)  ( 0.06,  0.06,  0.33)
173:     bond    (  0.875,  -1.405,  -2.611)  (  0.876,  -1.402,  -2.601)  ( 0.10,  0.21,  0.39)
173:     angle   ( -3.642,  -4.939,   1.435)  ( -3.639,  -4.938,   1.436)  ( 0.06,  0.03,  0.04)
173:     torsion (  0.292,  -2.437,   1.412)  (  0.292,  -2.437,   1.412)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.658,   1.415,   0.141)  ( -3.658,   1.415,   0.141)  ( 0.00,  0.00,  0.00)
173:     electro (  0.217,   0.299,  -0.686)  (  0.217,   0.299,  -0.686)  ( 0.00,  0.00,  0.00)
173:  9       ( -4.447,  -3.770,   6.375)  ( -4.443,  -3.765,   6.384)  ( 0.11,  0.12,  0.15)
173:     bond    (  2.770,  -2.821,   4.838)  (  2.773,  -2.818,   4.847)  ( 0.10,  0.10,  0.18)
173:     angle   ( -3.009,  -0.788,   1.262)  ( -3.008,  -0.787,   1.263)  ( 0.06,  0.13,  0.07)
173:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.059,  -0.299,   0.503)  ( -5.059,  -0.299,   0.503)  ( 0.00,  0.00,  0.00)
173:     electro (  0.851,   0.134,  -0.232)  (  0.851,   0.134,  -0.232)  ( 0.00,  0.00,  0.00)
173: ok 6 # gradients 
173: ok 7 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 67.160,   2.206,  24.780)  ( 67.186,   2.233,  24.806)  ( 0.04,  1.22,  0.10)
173:     bond    ( 22.644, -16.648,  11.930)  ( 22.661, -16.629,  11.948)  ( 0.08,  0.11,  0.15)
173:     angle   ( 37.185,  11.973,   6.180)  ( 37.193,  11.982,   6.187)  ( 0.02,  0.07,  0.12)
173:     torsion ( -1.785,   2.458,   6.015)  ( -1.785,   2.458,   6.015)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.865,   3.684,   0.918)  (  8.865,   3.684,   0.918)  ( 0.00,  0.00,  0.00)
173:     electro (  0.251,   0.738,  -0.263)  (  0.251,   0.738,  -0.263)  ( 0.00,  0.00,  0.00)
173:  2       (-54.056, -12.659, -38.296)  (-54.035, -12.646, -38.291)  ( 0.04,  0.10,  0.01)
173:     bond    (-48.851,  -1.807, -13.473)  (-48.831,  -1.800, -13.471)  ( 0.04,  0.40,  0.02)
173:     angle   (-10.253,  -3.726,  -7.605)  (-10.252,  -3.720,  -7.603)  ( 0.01,  0.15,  0.03)
173:     torsion (  5.048,  -7.126, -17.218)  (  5.048,  -7.126, -17.217)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -9.462,   3.054,  -6.871)  ( -9.460,   3.067,  -6.868)  ( 0.03,  0.45,  0.04)
173:     bond    (  0.187,   4.023,   0.769)  (  0.187,   4.037,   0.769)  ( 0.00,  0.34,  0.04)
173:     angle   (-24.568,   2.112,  -5.117)  (-24.566,   2.112,  -5.115)  ( 0.01,  0.00,  0.04)
173:     torsion (  2.570,   0.608,  -3.814)  (  2.570,   0.608,  -3.814)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.035,  -3.284,   1.316)  (  9.036,  -3.284,   1.316)  ( 0.00,  0.00,  0.00)
173:     electro (  3.314,  -0.405,  -0.025)  (  3.314,  -0.405,  -0.025)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.929,   4.323,   5.355)  ( -0.918,   4.327,   5.359)  ( 1.02,  0.09,  0.07)
173:     bond    ( -2.129,  -0.870,   0.925)  ( -2.119,  -0.868,   0.927)  ( 0.49,  0.15,  0.18)
173:     angle   ( -0.029,   1.460,   1.303)  ( -0.028,   1.462,   1.305)  ( 0.00,  0.14,  0.14)
173:     torsion (  0.179,   3.113,   3.325)  (  0.179,   3.114,   3.325)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.066,  -0.008,  -0.008)  ( -0.066,  -0.008,  -0.008)  ( 0.00,  0.00,  0.00)
173:     electro (  1.117,   0.628,  -0.190)  (  1.117,   0.628,  -0.190)  ( 0.00,  0.00,  0.00)
173:  5       ( -7.077,  -6.899,   0.843)  ( -7.075,  -6.896,   0.857)  ( 0.03,  0.04,  1.16)
173:     bond    (  0.021,  -0.314,  -1.873)  (  0.021,  -0.313,  -1.860)  ( 0.00,  0.01,  0.73)
173:     angle   ( -6.502,  -3.846,   0.573)  ( -6.499,  -3.843,   0.573)  ( 0.03,  0.06,  0.00)
173:     torsion ( -2.778,  -3.682,   0.588)  ( -2.778,  -3.682,   0.588)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.685,   0.034,   0.553)  (  0.685,   0.034,   0.553)  ( 0.00,  0.00,  0.00)
173:     electro (  1.496,   0.908,   1.002)  (  1.496,   0.908,   1.002)  ( 0.00,  0.00,  0.00)
173:  6       (-17.237,  28.530,  -1.904)  (-17.205,  28.562,  -1.894)  ( 0.19,  0.11,  0.55)
173:     bond    ( -4.210,  31.977, -15.446)  ( -4.178,  32.002, -15.437)  ( 0.75,  0.08,  0.06)
173:     angle   (  1.764, -12.053,   5.716)  (  1.765, -12.047,   5.717)  ( 0.01,  0.05,  0.02)
173:     torsion ( -3.310,   4.741,  11.339)  ( -3.310,   4.741,  11.339)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.040,   3.119,  -1.982)  ( -7.040,   3.120,  -1.982)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.442,   0.747,  -1.531)  ( -4.442,   0.747,  -1.531)  ( 0.00,  0.00,  0.00)
173:  7       ( 39.537, -11.561,  18.250)  ( 39.556, -11.555,  18.255)  ( 0.05,  0.05,  0.03)
173:     bond    ( 32.188, -14.882,  16.406)  ( 32.207, -14.877,  16.411)  ( 0.06,  0.03,  0.03)
173:     angle   (  2.414,   4.058,  -1.058)  (  2.414,   4.059,  -1.058)  ( 0.02,  0.04,  0.01)
173:     torsion ( -0.273,   0.396,   0.895)  ( -0.273,   0.396,   0.895)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.203,  -0.065,   0.084)  (  0.203,  -0.065,   0.084)  ( 0.00,  0.00,  0.00)
173:     electro (  5.005,  -1.067,   1.924)  (  5.005,  -1.067,   1.924)  ( 0.00,  0.00,  0.00)
173:  8       (-18.049,  -7.109,  -2.227)  (-18.049,  -7.091,  -2.224)  ( 0.00,  0.24,  0.17)
173:     bond    (  0.051,  -1.569,   0.709)  (  0.051,  -1.551,   0.712)  ( 0.00,  1.10,  0.26)
169: ok 666 # number of heavy atoms match
169: ok 667 # number of heavy atoms match
169: ok 668 # number of heavy atoms match
169: ok 669 # number of heavy atoms match
169: ok 670 # number of heavy atoms match
169: ok 671 # number of heavy atoms match
169: ok 672 # number of heavy atoms match
169: ok 673 # number of heavy atoms match
169: ok 674 # number of heavy atoms match
169: ok 675 # number of heavy atoms match
169: ok 676 # number of heavy atoms match
169: ok 677 # number of heavy atoms match
169: ok 678 # number of heavy atoms match
169: ok 679 # number of heavy atoms match
169: ok 680 # number of heavy atoms match
169: ok 681 # number of heavy atoms match
169: ok 682 # number of heavy atoms match
169: ok 683 # number of heavy atoms match
169: ok 684 # number of heavy atoms match
169: ok 685 # number of heavy atoms match
169: ok 686 # number of heavy atoms match
169: ok 687 # number of heavy atoms match
169: ok 688 # number of heavy atoms match
169: ok 689 # number of heavy atoms match
169: ok 690 # number of heavy atoms match
169: ok 691 # number of heavy atoms match
169: ok 692 # number of heavy atoms match
169: ok 693 # number of heavy atoms match
169: ok 694 # number of heavy atoms match
169: ok 695 # number of heavy atoms match
169: ok 696 # number of heavy atoms match
169: ok 697 # number of heavy atoms match
169: ok 698 # number of heavy atoms match
169: ok 699 # number of heavy atoms match
169: ok 700 # number of heavy atoms match
169: ok 701 # number of heavy atoms match
169: ok 702 # number of heavy atoms match
169: ok 703 # number of heavy atoms match
169: ok 704 # number of heavy atoms match
169: ok 705 # number of heavy atoms match
169: ok 706 # number of heavy atoms match
169: ok 707 # number of heavy atoms match
169: ok 708 # number of heavy atoms match
169: ok 709 # number of heavy atoms match
169: ok 710 # number of heavy atoms match
169: ok 711 # number of heavy atoms match
169: ok 712 # number of heavy atoms match
169: ok 713 # number of heavy atoms match
169: ok 714 # number of heavy atoms match
169: ok 715 # number of heavy atoms match
169: ok 716 # number of heavy atoms match
169: ok 717 # number of heavy atoms match
169: ok 718 # number of heavy atoms match
169: ok 719 # number of heavy atoms match
169: ok 720 # number of heavy atoms match
169: ok 721 # number of heavy atoms match
169: ok 722 # number of heavy atoms match
169: ok 723 # number of heavy atoms match
169: ok 724 # number of heavy atoms match
169: ok 725 # number of heavy atoms match
169: ok 726 # number of heavy atoms match
169: ok 727 # number of heavy atoms match
169: ok 728 # number of heavy atoms match
169: ok 729 # number of heavy atoms match
169: ok 730 # number of heavy atoms match
169: ok 731 # number of heavy atoms match
169: ok 732 # number of heavy atoms match
169: ok 733 # number of heavy atoms match
169: ok 734 # number of heavy atoms match
169: ok 735 # number of heavy atoms match
169: ok 736 # number of heavy atoms match
169: ok 737 # number of heavy atoms match
169: ok 738 # number of heavy atoms match
169: ok 739 # number of heavy atoms match
169: ok 740 # number of heavy atoms match
169: ok 741 # number of heavy atoms match
169: ok 742 # number of heavy atoms match
169: ok 743 # number of heavy atoms match
169: ok 744 # number of heavy atoms match
169: ok 745 # number of heavy atoms match
169: ok 746 # number of heavy atoms match
169: ok 747 # number of heavy atoms match
169: ok 748 # number of heavy atoms match
169: ok 749 # number of heavy atoms match
169: ok 750 # number of heavy atoms match
169: ok 751 # number of heavy atoms match
169: ok 752 # number of heavy atoms match
169: ok 753 # number of heavy atoms match
169: ok 754 # number of heavy atoms match
169: ok 755 # number of heavy atoms match
169: ok 756 # number of heavy atoms match
169: ok 757 # number of heavy atoms match
169: ok 758 # number of heavy atoms match
169: ok 759 # number of heavy atoms match
169: ok 760 # number of heavy atoms match
169: ok 761 # number of heavy atoms match
169: ok 762 # number of heavy atoms match
169: ok 763 # number of heavy atoms match
169: ok 764 # number of heavy atoms match
169: ok 765 # number of heavy atoms match
169: ok 766 # number of heavy atoms match
169: ok 767 # number of heavy atoms match
169: ok 768 # number of heavy atoms match
169: ok 769 # number of heavy atoms match
169: ok 770 # number of heavy atoms match
169: ok 771 # number of heavy atoms match
169: ok 772 # number of heavy atoms match
169: ok 773 # number of heavy atoms match
169: ok 774 # number of heavy atoms match
169: ok 775 # number of heavy atoms match
169: ok 776 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wd9_qpc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3weg_fps.sdf
173:     angle   ( -0.026,  -0.004,  -0.006)  ( -0.026,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.349,  -0.508,  -1.131)  (  0.349,  -0.508,  -1.131)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.682,  -3.480,  -0.882)  (-11.682,  -3.480,  -0.882)  ( 0.00,  0.00,  0.00)
173:     electro ( -6.742,  -1.548,  -0.918)  ( -6.742,  -1.548,  -0.918)  ( 0.00,  0.00,  0.00)
173: ok 8 # gradients 
173: ok 9 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 52.387, -74.873, 129.946)  ( 52.410, -74.851, 129.962)  ( 0.04,  0.03,  0.01)
173:     bond    ( 44.647, -63.177, 109.681)  ( 44.664, -63.162, 109.690)  ( 0.04,  0.02,  0.01)
173:     angle   (  7.753, -11.692,  20.276)  (  7.758, -11.686,  20.282)  ( 0.07,  0.05,  0.03)
173:     torsion ( -0.013,  -0.004,  -0.010)  ( -0.013,  -0.004,  -0.010)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       ( -3.482,   5.998, -10.520)  ( -3.455,   6.026, -10.493)  ( 0.79,  0.46,  0.26)
173:     bond    ( -2.128,   0.003,   0.008)  ( -2.108,   0.023,   0.029)  ( 0.92,  0.01,  0.02)
173:     angle   ( -6.969,   4.291,  -7.559)  ( -6.962,   4.299,  -7.552)  ( 0.11,  0.18,  0.09)
173:     torsion ( -0.000,   0.006,  -0.002)  (  0.000,   0.006,  -0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.786,   1.739,  -3.039)  (  5.786,   1.739,  -3.039)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.172,  -0.041,   0.071)  ( -0.172,  -0.041,   0.071)  ( 0.00,  0.00,  0.00)
173:  3       (-13.747,   4.615, -10.582)  (-13.719,   4.643, -10.554)  ( 0.21,  0.59,  0.26)
173:     bond    (  0.559,   1.981,  -0.095)  (  0.579,   2.001,  -0.075)  ( 1.12,  0.99,  0.19)
173:     angle   ( -1.658,   7.834,  -7.537)  ( -1.651,   7.842,  -7.530)  ( 0.46,  0.10,  0.09)
173:     torsion (  0.006,  -0.002,   0.014)  (  0.006,  -0.002,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.755,  -5.343,  -3.034)  (-12.755,  -5.343,  -3.034)  ( 0.00,  0.00,  0.00)
173:     electro (  0.101,   0.145,   0.071)  (  0.101,   0.145,   0.071)  ( 0.00,  0.00,  0.00)
173:  4       (-13.936,   6.910,  -9.592)  (-13.908,   6.938,  -9.565)  ( 0.20,  0.40,  0.28)
173:     bond    (  0.682,  -0.990,  -1.830)  (  0.702,  -0.970,  -1.810)  ( 1.37,  1.98,  1.08)
173:     angle   ( -1.826,   2.713, -10.797)  ( -1.818,   2.721, -10.789)  ( 0.42,  0.27,  0.07)
173:     torsion ( -0.001,   0.005,  -0.004)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.893,   5.316,   3.128)  (-12.892,   5.316,   3.128)  ( 0.00,  0.00,  0.00)
173:     electro (  0.101,  -0.134,  -0.090)  (  0.101,  -0.134,  -0.090)  ( 0.00,  0.00,  0.00)
173:  5       (-25.904, 128.140,  -0.201)  (-25.900, 128.153,  -0.199)  ( 0.02,  0.01,  0.05)
173:     bond    (-44.104, 124.539,  -0.001)  (-44.102, 124.552,   0.000)  ( 0.00,  0.01,  0.00)
173:     angle   (  2.105,   0.746,  -0.030)  (  2.107,   0.746,  -0.028)  ( 0.09,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.081,   2.805,   0.042)  ( 15.081,   2.805,   0.042)  ( 0.00,  0.00,  0.00)
173:     electro (  1.014,   0.050,  -0.212)  (  1.014,   0.050,  -0.212)  ( 0.00,  0.00,  0.00)
173:  6       (-41.125, -62.438, 108.322)  (-41.121, -62.433, 108.332)  ( 0.01,  0.01,  0.01)
173:     bond    (-44.022, -62.301, 107.873)  (-44.020, -62.298, 107.882)  ( 0.00,  0.01,  0.01)
173:     angle   (  2.401,  -0.335,   0.787)  (  2.403,  -0.333,   0.788)  ( 0.08,  0.05,  0.05)
173:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.085,  -0.035,   0.060)  ( -0.085,  -0.035,   0.060)  ( 0.00,  0.00,  0.00)
173:     electro (  0.580,   0.231,  -0.400)  (  0.580,   0.231,  -0.400)  ( 0.00,  0.00,  0.00)
173:  7       (-25.293, -63.902, -111.322)  (-25.288, -63.897, -111.312)  ( 0.02,  0.01,  0.01)
173:     bond    (-44.001, -62.281, -107.920)  (-43.999, -62.278, -107.911)  ( 0.00,  0.01,  0.01)
173:     angle   (  2.450,  -0.318,  -0.818)  (  2.452,  -0.317,  -0.817)  ( 0.08,  0.05,  0.05)
173:     torsion ( -0.000,  -0.004,   0.002)  (  0.000,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.243,  -1.456,  -2.437)  ( 15.244,  -1.456,  -2.437)  ( 0.00,  0.00,  0.00)
173:     electro (  1.015,   0.158,  -0.150)  (  1.015,   0.158,  -0.150)  ( 0.00,  0.00,  0.00)
173:  8       (130.829,  -5.135,  -1.747)  (130.843,  -5.132,  -1.745)  ( 0.01,  0.06,  0.15)
173:     bond    (132.182,  -0.001,  -0.001)  (132.197,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.000,  -2.186,  -0.045)  (  0.000,  -2.183,  -0.043)  ( 0.00,  0.10,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.859,  -2.328,  -1.348)  ( -0.859,  -2.328,  -1.348)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.495,  -0.621,  -0.353)  ( -0.495,  -0.621,  -0.353)  ( 0.00,  0.00,  0.00)
173:  9       (-47.847,  57.535, 107.082)  (-47.843,  57.540, 107.092)  ( 0.01,  0.01,  0.01)
173:     bond    (-44.022,  62.294, 107.873)  (-44.020,  62.298, 107.882)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.070,  -2.139,   0.797)  ( -1.068,  -2.137,   0.798)  ( 0.16,  0.08,  0.05)
173:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.321,  -1.993,  -1.141)  ( -2.321,  -1.993,  -1.141)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.435,  -0.628,  -0.447)  ( -0.435,  -0.628,  -0.447)  ( 0.00,  0.00,  0.00)
173: 10       (-47.394,  54.137, -107.992)  (-47.390,  54.143, -107.982)  ( 0.01,  0.01,  0.01)
173:     bond    (-43.959,  62.203, -107.816)  (-43.957,  62.206, -107.807)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.055,  -2.187,  -0.832)  ( -1.053,  -2.186,  -0.832)  ( 0.17,  0.08,  0.05)
173:     torsion (  0.004,  -0.002,  -0.003)  (  0.004,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.994,  -4.924,   0.658)  ( -1.994,  -4.924,   0.658)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.391,  -0.952,   0.001)  ( -0.391,  -0.952,   0.001)  ( 0.00,  0.00,  0.00)
173: 11       (130.831,   4.001,   3.571)  (130.845,   4.004,   3.574)  ( 0.01,  0.07,  0.08)
173:     bond    (132.183,  -0.035,  -0.070)  (132.197,  -0.035,  -0.070)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.001,   1.081,   1.938)  (  0.001,   1.083,   1.940)  ( 0.00,  0.18,  0.11)
173:     torsion ( -0.000,   0.005,  -0.003)  ( -0.000,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.859,   2.334,   1.344)  ( -0.859,   2.334,   1.344)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.494,   0.616,   0.362)  ( -0.494,   0.616,   0.362)  ( 0.00,  0.00,  0.00)
173: 12       (-47.569,  66.412, -100.996)  (-47.565,  66.418, -100.985)  ( 0.01,  0.01,  0.01)
173:     bond    (-44.072,  62.288, -107.890)  (-44.070,  62.292, -107.881)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.090,   1.766,   1.465)  ( -1.088,   1.768,   1.465)  ( 0.16,  0.09,  0.05)
173:     torsion ( -0.005,  -0.004,   0.000)  ( -0.005,  -0.004,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wez_n8v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf0_6dj.sdf
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.011,   1.886,   4.604)  ( -2.011,   1.886,   4.604)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.390,   0.475,   0.826)  ( -0.390,   0.475,   0.826)  ( 0.00,  0.00,  0.00)
173: 13       (-47.912, -121.563,   3.871)  (-47.908, -121.550,   3.874)  ( 0.01,  0.01,  0.07)
173:     bond    (-44.066, -124.643,   0.069)  (-44.064, -124.631,   0.070)  ( 0.00,  0.01,  0.00)
173:     angle   ( -1.083,   0.383,   2.316)  ( -1.082,   0.384,   2.318)  ( 0.16,  0.01,  0.09)
173:     torsion (  0.009,  -0.003,   0.005)  (  0.009,  -0.003,   0.005)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.336,   1.998,   1.161)  ( -2.336,   1.998,   1.161)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.435,   0.702,   0.320)  ( -0.435,   0.702,   0.320)  ( 0.00,  0.00,  0.00)
173: ok 10 # gradients 
173: ok 11 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-271.138, 383.042, -663.507)  (-271.125, 383.054, -663.501)  ( 0.00,  0.00,  0.00)
173:     bond    (-217.378, 307.591, -532.902)  (-217.370, 307.598, -532.901)  ( 0.00,  0.00,  0.00)
173:     angle   (-53.753,  75.453, -130.601)  (-53.749,  75.457, -130.596)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.006,  -0.002,  -0.005)  ( -0.006,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       (770.692, -25.809,  44.488)  (770.715, -25.784,  44.512)  ( 0.00,  0.10,  0.05)
173:     bond    (788.238,   0.006,   0.011)  (788.254,   0.024,   0.029)  ( 0.00,  0.01,  0.02)
173:     angle   (-26.180, -28.418,  49.021)  (-26.173, -28.411,  49.028)  ( 0.03,  0.02,  0.01)
173:     torsion ( -0.000,   0.003,  -0.001)  (  0.000,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.043,   2.698,  -4.714)  (  9.043,   2.698,  -4.714)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.409,  -0.098,   0.170)  ( -0.409,  -0.098,   0.170)  ( 0.00,  0.00,  0.00)
173:  3       (-246.459, -735.886,  44.420)  (-246.434, -735.862,  44.444)  ( 0.01,  0.00,  0.05)
173:     bond    (-263.274, -743.035,  -0.093)  (-263.257, -743.019,  -0.075)  ( 0.01,  0.00,  0.16)
173:     angle   ( 35.493,  15.072,  49.043)  ( 35.500,  15.079,  49.050)  ( 0.02,  0.05,  0.01)
173:     torsion (  0.003,  -0.001,   0.006)  (  0.003,  -0.001,   0.006)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.922,  -8.267,  -4.707)  (-18.922,  -8.267,  -4.707)  ( 0.00,  0.00,  0.00)
173:     electro (  0.241,   0.346,   0.170)  (  0.241,   0.346,   0.170)  ( 0.00,  0.00,  0.00)
173:  4       (-246.256, 329.681, 659.355)  (-246.231, 329.705, 659.379)  ( 0.01,  0.01,  0.00)
173:     bond    (-262.685, 371.683, 643.520)  (-262.668, 371.701, 643.537)  ( 0.01,  0.00,  0.00)
173:     angle   ( 35.311, -49.918,  11.219)  ( 35.318, -49.912,  11.226)  ( 0.02,  0.01,  0.06)
173:     torsion ( -0.001,   0.002,  -0.002)  ( -0.000,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.122,   8.234,   4.833)  (-19.122,   8.234,   4.833)  ( 0.00,  0.00,  0.00)
173:     electro (  0.241,  -0.320,  -0.215)  (  0.241,  -0.320,  -0.215)  ( 0.00,  0.00,  0.00)
173:  5       (-11.489, 135.972,  -0.102)  (-11.484, 135.985,  -0.100)  ( 0.04,  0.01,  0.02)
173:     bond    (-45.231, 127.721,  -0.001)  (-45.228, 127.733,   0.000)  ( 0.00,  0.01,  0.00)
173:     angle   (  8.533,   3.022,  -0.030)  (  8.535,   3.022,  -0.028)  ( 0.02,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 24.859,   5.186,   0.011)  ( 24.859,   5.186,   0.011)  ( 0.00,  0.00,  0.00)
173:     electro (  0.350,   0.044,  -0.082)  (  0.350,   0.044,  -0.082)  ( 0.00,  0.00,  0.00)
173:  6       (-36.115, -65.266, 113.222)  (-36.111, -65.261, 113.232)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.146, -63.893, 110.628)  (-45.144, -63.889, 110.638)  ( 0.00,  0.01,  0.01)
173:     angle   (  8.798,  -1.462,   2.746)  (  8.800,  -1.461,   2.747)  ( 0.02,  0.10,  0.02)
173:     torsion ( -0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.037,   0.008,  -0.014)  (  0.037,   0.008,  -0.014)  ( 0.00,  0.00,  0.00)
173:     electro (  0.197,   0.081,  -0.140)  (  0.197,   0.081,  -0.140)  ( 0.00,  0.00,  0.00)
173:  7       (-10.816, -67.901, -118.066)  (-10.812, -67.896, -118.056)  ( 0.04,  0.01,  0.01)
173:     bond    (-45.125, -63.872, -110.677)  (-45.123, -63.868, -110.667)  ( 0.00,  0.01,  0.01)
173:     angle   (  8.836,  -1.443,  -2.772)  (  8.838,  -1.442,  -2.771)  ( 0.02,  0.10,  0.02)
173:     torsion ( -0.000,  -0.002,   0.001)  (  0.000,  -0.002,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 25.121,  -2.633,  -4.539)  ( 25.122,  -2.633,  -4.539)  ( 0.00,  0.00,  0.00)
173:     electro (  0.351,   0.049,  -0.079)  (  0.351,   0.049,  -0.079)  ( 0.00,  0.00,  0.00)
173:  8       (133.977, -13.687,  -2.770)  (133.991, -13.684,  -2.767)  ( 0.01,  0.02,  0.09)
173:     bond    (135.558,  -0.001,  -0.001)  (135.572,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.000,  -9.007,  -0.044)  (  0.000,  -9.005,  -0.042)  ( 0.00,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.421,  -4.461,  -2.588)  ( -1.421,  -4.461,  -2.588)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.160,  -0.219,  -0.137)  ( -0.160,  -0.219,  -0.137)  ( 0.00,  0.00,  0.00)
173:  9       (-54.376,  52.198, 110.874)  (-54.372,  52.203, 110.884)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.146,  63.885, 110.628)  (-45.144,  63.889, 110.638)  ( 0.00,  0.01,  0.01)
173:     angle   ( -4.271,  -7.796,   2.758)  ( -4.269,  -7.794,   2.759)  ( 0.04,  0.02,  0.02)
173:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.788,  -3.684,  -2.353)  ( -4.788,  -3.684,  -2.353)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.171,  -0.208,  -0.159)  ( -0.171,  -0.208,  -0.159)  ( 0.00,  0.00,  0.00)
173: 10       (-53.750,  46.610, -112.293)  (-53.747,  46.615, -112.283)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.082,  63.793, -110.573)  (-45.080,  63.796, -110.563)  ( 0.00,  0.01,  0.01)
173:     angle   ( -4.250,  -7.836,  -2.789)  ( -4.249,  -7.835,  -2.788)  ( 0.04,  0.02,  0.02)
173:     torsion (  0.002,  -0.001,  -0.001)  (  0.002,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.265,  -9.021,   1.090)  ( -4.265,  -9.021,   1.090)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.155,  -0.325,  -0.020)  ( -0.155,  -0.325,  -0.020)  ( 0.00,  0.00,  0.00)
173: 11       (133.984,   9.161,  10.464)  (133.998,   9.163,  10.466)  ( 0.01,  0.03,  0.02)
173:     bond    (135.558,  -0.036,  -0.072)  (135.572,  -0.036,  -0.071)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.005,   4.491,   7.842)  (  0.005,   4.493,   7.844)  ( 0.00,  0.04,  0.02)
173:     torsion ( -0.000,   0.002,  -0.001)  ( -0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.419,   4.476,   2.574)  ( -1.419,   4.476,   2.574)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.160,   0.228,   0.121)  ( -0.160,   0.228,   0.121)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf1_6gj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf2_ndj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf5_fz8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf6_fz9.sdf
169: ok 777 # number of heavy atoms match
169: ok 778 # number of heavy atoms match
169: ok 779 # number of heavy atoms match
169: ok 780 # number of heavy atoms match
169: ok 781 # number of heavy atoms match
169: ok 782 # number of heavy atoms match
169: ok 783 # number of heavy atoms match
169: ok 784 # number of heavy atoms match
169: ok 785 # number of heavy atoms match
169: ok 786 # number of heavy atoms match
169: ok 787 # number of heavy atoms match
169: ok 788 # number of heavy atoms match
169: ok 789 # number of heavy atoms match
169: ok 790 # number of heavy atoms match
169: ok 791 # number of heavy atoms match
169: ok 792 # number of heavy atoms match
169: ok 793 # number of heavy atoms match
169: ok 794 # number of heavy atoms match
169: ok 795 # number of heavy atoms match
169: ok 796 # number of heavy atoms match
169: ok 797 # number of heavy atoms match
169: ok 798 # number of heavy atoms match
169: ok 799 # number of heavy atoms match
169: ok 800 # number of heavy atoms match
169: ok 801 # number of heavy atoms match
169: ok 802 # number of heavy atoms match
169: ok 803 # number of heavy atoms match
169: ok 804 # number of heavy atoms match
169: ok 805 # number of heavy atoms match
169: ok 806 # number of heavy atoms match
169: ok 807 # number of heavy atoms match
169: ok 808 # number of heavy atoms match
169: ok 809 # number of heavy atoms match
169: ok 810 # number of heavy atoms match
169: ok 811 # number of heavy atoms match
169: ok 812 # number of heavy atoms match
169: ok 813 # number of heavy atoms match
169: ok 814 # number of heavy atoms match
169: ok 815 # number of heavy atoms match
169: ok 816 # number of heavy atoms match
169: ok 817 # number of heavy atoms match
169: ok 818 # number of heavy atoms match
169: ok 819 # number of heavy atoms match
169: ok 820 # number of heavy atoms match
169: ok 821 # number of heavy atoms match
169: ok 822 # number of heavy atoms match
169: ok 823 # number of heavy atoms match
169: ok 824 # number of heavy atoms match
169: ok 825 # number of heavy atoms match
169: ok 826 # number of heavy atoms match
169: ok 827 # number of heavy atoms match
169: ok 828 # number of heavy atoms match
169: ok 829 # number of heavy atoms match
169: ok 830 # number of heavy atoms match
169: ok 831 # number of heavy atoms match
169: ok 832 # number of heavy atoms match
169: ok 833 # number of heavy atoms match
169: ok 834 # number of heavy atoms match
169: ok 835 # number of heavy atoms match
169: ok 836 # number of heavy atoms match
169: ok 837 # number of heavy atoms match
169: ok 838 # number of heavy atoms match
169: ok 839 # number of heavy atoms match
169: ok 840 # number of heavy atoms match
169: ok 841 # number of heavy atoms match
169: ok 842 # number of heavy atoms match
169: ok 843 # number of heavy atoms match
169: ok 844 # number of heavy atoms match
169: ok 845 # number of heavy atoms match
169: ok 846 # number of heavy atoms match
169: ok 847 # number of heavy atoms match
169: ok 848 # number of heavy atoms match
169: ok 849 # number of heavy atoms match
169: ok 850 # number of heavy atoms match
169: ok 851 # number of heavy atoms match
169: ok 852 # number of heavy atoms match
169: ok 853 # number of heavy atoms match
169: ok 854 # number of heavy atoms match
169: ok 855 # number of heavy atoms match
169: ok 856 # number of heavy atoms match
169: ok 857 # number of heavy atoms match
169: ok 858 # number of heavy atoms match
169: ok 859 # number of heavy atoms match
169: ok 860 # number of heavy atoms match
169: ok 861 # number of heavy atoms match
169: ok 862 # number of heavy atoms match
169: ok 863 # number of heavy atoms match
169: ok 864 # number of heavy atoms match
169: ok 865 # number of heavy atoms match
169: ok 866 # number of heavy atoms match
169: ok 867 # number of heavy atoms match
169: ok 868 # number of heavy atoms match
169: ok 869 # number of heavy atoms match
169: ok 870 # number of heavy atoms match
169: ok 871 # number of heavy atoms match
169: ok 872 # number of heavy atoms match
169: ok 873 # number of heavy atoms match
169: ok 874 # number of heavy atoms match
169: ok 875 # number of heavy atoms match
169: ok 876 # number of heavy atoms match
169: ok 877 # number of heavy atoms match
169: ok 878 # number of heavy atoms match
169: ok 879 # number of heavy atoms match
169: ok 880 # number of heavy atoms match
169: ok 881 # number of heavy atoms match
169: ok 882 # number of heavy atoms match
169: ok 883 # number of heavy atoms match
169: ok 884 # number of heavy atoms match
169: ok 885 # number of heavy atoms match
169: ok 886 # number of heavy atoms match
169: ok 887 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf7_fs9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf8_f76.sdf
174: ok 1 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
174:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
174:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
174:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
174:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
174:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
174:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
174:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
174:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
174:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
174:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
174:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
174:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
174:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
174:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
174:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
174:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
174:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
174:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
174:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
174:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
174:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
174:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
174:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
174:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
174:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wf9_fs7.sdf
173: 12       (-53.944,  73.905, -96.608)  (-53.940,  73.910, -96.597)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.198,  63.879, -110.646)  (-45.196,  63.883, -110.636)  ( 0.00,  0.01,  0.01)
173:     angle   ( -4.286,   6.292,   5.384)  ( -4.284,   6.294,   5.384)  ( 0.04,  0.02,  0.01)
173:     torsion ( -0.002,  -0.002,   0.000)  ( -0.002,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.303,   3.555,   8.383)  ( -4.303,   3.555,   8.383)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.155,   0.180,   0.272)  ( -0.155,   0.180,   0.272)  ( 0.00,  0.00,  0.00)
173: 13       (-54.454, -122.162,  10.382)  (-54.450, -122.149,  10.385)  ( 0.01,  0.01,  0.02)
173:     bond    (-45.191, -127.826,   0.071)  (-45.189, -127.813,   0.071)  ( 0.00,  0.01,  0.00)
173:     angle   ( -4.274,   1.515,   8.186)  ( -4.272,   1.515,   8.188)  ( 0.04,  0.01,  0.02)
173:     torsion (  0.004,  -0.001,   0.002)  (  0.004,  -0.001,   0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.822,   3.908,   2.023)  ( -4.822,   3.908,   2.023)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.171,   0.242,   0.100)  ( -0.171,   0.242,   0.100)  ( 0.00,  0.00,  0.00)
173: ok 12 # gradients 
173: ok 13 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  5.260,  -5.148,  -2.361)  (  5.295,  -5.114,  -2.351)  ( 0.66,  0.67,  0.43)
173:     bond    ( 24.503, -13.273,  -6.986)  ( 24.527, -13.246,  -6.983)  ( 0.10,  0.20,  0.05)
173:     angle   (  5.776,   8.041,   2.076)  (  5.785,   8.048,   2.077)  ( 0.17,  0.09,  0.04)
173:     torsion (  0.111,  -0.262,   0.581)  (  0.111,  -0.261,   0.587)  ( 0.00,  0.02,  0.30)
173:     oop     ( -0.010,   0.041,  -0.129)  ( -0.010,   0.041,  -0.128)  ( 0.00,  0.00,  0.01)
173:     vdw     (-24.970,   0.489,   2.359)  (-24.969,   0.489,   2.359)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.150,  -0.184,  -0.263)  ( -0.150,  -0.184,  -0.263)  ( 0.00,  0.00,  0.00)
173:  2       ( 21.589,  -5.064,  -1.366)  ( 21.626,  -5.032,  -1.356)  ( 0.17,  0.65,  0.72)
173:     bond    ( 28.371, -14.839,  -6.987)  ( 28.399, -14.815,  -6.984)  ( 0.10,  0.16,  0.04)
173:     angle   (  5.127, -11.898,  -4.480)  (  5.136, -11.890,  -4.479)  ( 0.16,  0.07,  0.02)
173:     torsion ( -0.039,  -0.121,   0.555)  ( -0.039,  -0.120,   0.560)  ( 0.00,  0.01,  0.29)
173:     oop     (  0.053,  -0.261,   0.756)  (  0.053,  -0.261,   0.757)  ( 0.00,  0.00,  0.05)
173:     vdw     (-11.673,  22.514,   9.309)  (-11.673,  22.514,   9.309)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.250,  -0.460,  -0.520)  ( -0.250,  -0.460,  -0.520)  ( 0.00,  0.00,  0.00)
173:  3       (-20.508,  13.173, -15.744)  (-20.471,  13.206, -15.734)  ( 0.18,  0.25,  0.07)
173:     bond    (-12.501, -44.238, -14.912)  (-12.473, -44.215, -14.908)  ( 0.23,  0.05,  0.02)
173:     angle   (  5.010,  29.663,  10.345)  (  5.018,  29.671,  10.346)  ( 0.17,  0.03,  0.01)
173:     torsion ( -0.498,   1.296,  -4.211)  ( -0.498,   1.297,  -4.205)  ( 0.00,  0.05,  0.12)
173:     oop     ( -0.099,   0.419,  -1.199)  ( -0.098,   0.419,  -1.198)  ( 0.00,  0.00,  0.06)
173:     vdw     (-11.894,  26.583,  -4.757)  (-11.893,  26.583,  -4.756)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.527,  -0.549,  -1.012)  ( -0.527,  -0.549,  -1.012)  ( 0.00,  0.00,  0.00)
173:  4       (-74.893, -26.370, -29.390)  (-74.856, -26.335, -29.379)  ( 0.05,  0.13,  0.04)
173:     bond    (-72.784,  16.430,  10.408)  (-72.758,  16.456,  10.412)  ( 0.04,  0.16,  0.04)
173:     angle   (-19.957, -39.249, -23.098)  (-19.947, -39.241, -23.096)  ( 0.05,  0.02,  0.01)
173:     torsion ( -0.579,   1.308,  -5.329)  ( -0.579,   1.309,  -5.324)  ( 0.00,  0.06,  0.09)
173:     oop     ( -0.078,   0.279,  -0.667)  ( -0.078,   0.279,  -0.667)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 17.836,  -5.464, -11.173)  ( 17.837,  -5.464, -11.173)  ( 0.00,  0.00,  0.00)
173:     electro (  0.668,   0.326,   0.469)  (  0.668,   0.326,   0.469)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wfa_edt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wff_wff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wfg_wfg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wg8_6as.sdf
174:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
174:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
174:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
174:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
174:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
174:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
174:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
174:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
174:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
174:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
174:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
174:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
174:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
174:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
174:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
174:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
174:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
174:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
174:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
174:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
174:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
174:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
174:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
174: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
174:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
174:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
174:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
174: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
174:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wgp_ed9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wgt_qsc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wgw_t2b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wh0_o4b.sdf
169: ok 888 # number of heavy atoms match
169: ok 889 # number of heavy atoms match
169: ok 890 # number of heavy atoms match
169: ok 891 # number of heavy atoms match
169: ok 892 # number of heavy atoms match
169: ok 893 # number of heavy atoms match
169: ok 894 # number of heavy atoms match
169: ok 895 # number of heavy atoms match
169: ok 896 # number of heavy atoms match
169: ok 897 # number of heavy atoms match
169: ok 898 # number of heavy atoms match
169: ok 899 # number of heavy atoms match
169: ok 900 # number of heavy atoms match
169: ok 901 # number of heavy atoms match
169: ok 902 # number of heavy atoms match
169: ok 903 # number of heavy atoms match
169: ok 904 # number of heavy atoms match
169: ok 905 # number of heavy atoms match
169: ok 906 # number of heavy atoms match
169: ok 907 # number of heavy atoms match
169: ok 908 # number of heavy atoms match
169: ok 909 # number of heavy atoms match
169: ok 910 # number of heavy atoms match
169: ok 911 # number of heavy atoms match
169: ok 912 # number of heavy atoms match
169: ok 913 # number of heavy atoms match
169: ok 914 # number of heavy atoms match
169: ok 915 # number of heavy atoms match
169: ok 916 # number of heavy atoms match
169: ok 917 # number of heavy atoms match
169: ok 918 # number of heavy atoms match
169: ok 919 # number of heavy atoms match
169: ok 920 # number of heavy atoms match
169: ok 921 # number of heavy atoms match
169: ok 922 # number of heavy atoms match
169: ok 923 # number of heavy atoms match
169: ok 924 # number of heavy atoms match
169: ok 925 # number of heavy atoms match
169: ok 926 # number of heavy atoms match
169: ok 927 # number of heavy atoms match
169: ok 928 # number of heavy atoms match
169: ok 929 # number of heavy atoms match
169: ok 930 # number of heavy atoms match
169: ok 931 # number of heavy atoms match
169: ok 932 # number of heavy atoms match
169: ok 933 # number of heavy atoms match
169: ok 934 # number of heavy atoms match
169: ok 935 # number of heavy atoms match
169: ok 936 # number of heavy atoms match
169: ok 937 # number of heavy atoms match
169: ok 938 # number of heavy atoms match
169: ok 939 # number of heavy atoms match
169: ok 940 # number of heavy atoms match
169: ok 941 # number of heavy atoms match
169: ok 942 # number of heavy atoms match
169: ok 943 # number of heavy atoms match
169: ok 944 # number of heavy atoms match
169: ok 945 # number of heavy atoms match
169: ok 946 # number of heavy atoms match
169: ok 947 # number of heavy atoms match
169: ok 948 # number of heavy atoms match
169: ok 949 # number of heavy atoms match
169: ok 950 # number of heavy atoms match
169: ok 951 # number of heavy atoms match
169: ok 952 # number of heavy atoms match
169: ok 953 # number of heavy atoms match
169: ok 954 # number of heavy atoms match
169: ok 955 # number of heavy atoms match
169: ok 956 # number of heavy atoms match
169: ok 957 # number of heavy atoms match
169: ok 958 # number of heavy atoms match
169: ok 959 # number of heavy atoms match
169: ok 960 # number of heavy atoms match
169: ok 961 # number of heavy atoms match
169: ok 962 # number of heavy atoms match
169: ok 963 # number of heavy atoms match
169: ok 964 # number of heavy atoms match
169: ok 965 # number of heavy atoms match
169: ok 966 # number of heavy atoms match
169: ok 967 # number of heavy atoms match
169: ok 968 # number of heavy atoms match
169: ok 969 # number of heavy atoms match
169: ok 970 # number of heavy atoms match
169: ok 971 # number of heavy atoms match
169: ok 972 # number of heavy atoms match
169: ok 973 # number of heavy atoms match
169: ok 974 # number of heavy atoms match
169: ok 975 # number of heavy atoms match
169: ok 976 # number of heavy atoms match
169: ok 977 # number of heavy atoms match
169: ok 978 # number of heavy atoms match
169: ok 979 # number of heavy atoms match
169: ok 980 # number of heavy atoms match
169: ok 981 # number of heavy atoms match
169: ok 982 # number of heavy atoms match
169: ok 983 # number of heavy atoms match
169: ok 984 # number of heavy atoms match
169: ok 985 # number of heavy atoms match
169: ok 986 # number of heavy atoms match
169: ok 987 # number of heavy atoms match
169: ok 988 # number of heavy atoms match
169: ok 989 # number of heavy atoms match
169: ok 990 # number of heavy atoms match
169: ok 991 # number of heavy atoms match
169: ok 992 # number of heavy atoms match
169: ok 993 # number of heavy atoms match
169: ok 994 # number of heavy atoms match
169: ok 995 # number of heavy atoms match
169: ok 996 # number of heavy atoms match
169: ok 997 # number of heavy atoms match
169: ok 998 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wha_wha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3whw_rux.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 16 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wi2_p98.sdf
174:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
174:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
174:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
174:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
174: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
174:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
174:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
174:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
174:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
174: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
174:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
174:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
174:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
174:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
174:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
174:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
174:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
174: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
174:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
174:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
174:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
174:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
174:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
174:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
174:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
174:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
174:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
174:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
174:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
174: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
174:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
174:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-30.629,  -6.041,  27.219)  (-30.591,  -6.009,  27.229)  ( 0.12,  0.54,  0.04)
173:     bond    (-35.335,  32.570,  16.427)  (-35.307,  32.594,  16.431)  ( 0.08,  0.07,  0.02)
173:     angle   (-11.648,  -7.912,  -1.789)  (-11.639,  -7.904,  -1.788)  ( 0.07,  0.10,  0.06)
173:     torsion (  1.790,  -7.107,  18.634)  (  1.790,  -7.107,  18.639)  ( 0.00,  0.01,  0.03)
173:     oop     (  0.322,  -1.081,   3.045)  (  0.322,  -1.081,   3.045)  ( 0.00,  0.01,  0.02)
173:     vdw     ( 13.738, -22.556,  -8.840)  ( 13.738, -22.555,  -8.840)  ( 0.00,  0.00,  0.00)
173:     electro (  0.504,   0.044,  -0.258)  (  0.504,   0.044,  -0.258)  ( 0.00,  0.00,  0.00)
173:  6       ( 13.714,   4.272,  -1.854)  ( 13.751,   4.304,  -1.844)  ( 0.27,  0.77,  0.55)
173:     bond    ( 38.529,  26.713,   5.049)  ( 38.558,  26.736,   5.053)  ( 0.07,  0.09,  0.07)
173:     angle   ( -9.725,   0.549,   1.163)  ( -9.716,   0.557,   1.164)  ( 0.08,  0.45,  0.09)
173:     torsion ( -0.017,   0.655,  -0.559)  ( -0.017,   0.656,  -0.554)  ( 0.00,  0.04,  0.28)
173:     oop     ( -0.037,   0.144,  -0.360)  ( -0.037,   0.145,  -0.359)  ( 0.00,  0.00,  0.03)
173:     vdw     (-15.307, -23.860,  -6.973)  (-15.307, -23.860,  -6.973)  ( 0.00,  0.00,  0.00)
173:     electro (  0.271,   0.070,  -0.175)  (  0.271,   0.070,  -0.175)  ( 0.00,  0.00,  0.00)
173:  7       (155.062,  58.275, 140.792)  (155.097,  58.294, 140.814)  ( 0.02,  0.03,  0.02)
173:     bond    (123.692,  55.388,  93.502)  (123.718,  55.400,  93.517)  ( 0.02,  0.02,  0.02)
173:     angle   ( 50.368,  29.010,  24.472)  ( 50.376,  29.016,  24.477)  ( 0.02,  0.02,  0.02)
173:     torsion ( -8.787, -46.879,  31.890)  ( -8.786, -46.878,  31.891)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.248,  21.884,  -9.351)  ( -5.248,  21.885,  -9.351)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.963,  -1.128,   0.280)  ( -4.963,  -1.128,   0.280)  ( 0.00,  0.00,  0.00)
173:  8       (-55.997,  21.994,  41.099)  (-55.960,  22.008,  41.133)  ( 0.07,  0.07,  0.08)
173:     bond    (-124.586, -15.539, -11.759)  (-124.560, -15.529, -11.729)  ( 0.02,  0.06,  0.25)
173:     angle   ( 60.058,  66.972,  82.045)  ( 60.068,  66.975,  82.050)  ( 0.02,  0.00,  0.01)
173:     torsion ( -3.015,  -4.995, -33.899)  ( -3.015,  -4.994, -33.900)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.161, -23.778,   4.119)  (  8.161, -23.777,   4.119)  ( 0.00,  0.00,  0.00)
173:     electro (  3.385,  -0.667,   0.594)  (  3.385,  -0.667,   0.594)  ( 0.00,  0.00,  0.00)
173:  9       ( -4.626, -55.968, -86.986)  ( -4.618, -55.961, -86.966)  ( 0.17,  0.01,  0.02)
173:     bond    ( 33.790, -47.731, -90.141)  ( 33.793, -47.725, -90.122)  ( 0.01,  0.01,  0.02)
173:     angle   (-60.901, -11.446, -16.774)  (-60.898, -11.446, -16.774)  ( 0.01,  0.00,  0.00)
173:     torsion ( -1.721,  40.864, -22.286)  ( -1.721,  40.864, -22.286)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 29.386, -37.753,  45.421)  ( 29.387, -37.752,  45.422)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.180,   0.098,  -3.207)  ( -5.180,   0.098,  -3.207)  ( 0.00,  0.00,  0.00)
173: 10       (875.543, -1004.615, -67.954)  (875.579, -1004.581, -67.945)  ( 0.00,  0.00,  0.01)
173:     bond    (939.244, -991.164, -28.908)  (939.277, -991.135, -28.901)  ( 0.00,  0.00,  0.02)
173:     angle   (-69.172,  -9.984, -73.622)  (-69.169,  -9.979, -73.620)  ( 0.00,  0.05,  0.00)
173:     torsion (  3.542,  -1.685,  33.660)  (  3.543,  -1.685,  33.660)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.743,  -1.844,   0.105)  (  1.743,  -1.844,   0.105)  ( 0.00,  0.01,  0.00)
173:     electro (  0.186,   0.063,   0.811)  (  0.186,   0.063,   0.811)  ( 0.00,  0.00,  0.00)
173: 11       ( 23.100, -113.050,  57.542)  ( 23.136, -113.014,  57.549)  ( 0.15,  0.03,  0.01)
173:     bond    (-93.024, -80.287,  13.134)  (-92.999, -80.260,  13.137)  ( 0.03,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wi6_yrz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wig_chu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wik_lct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wil_lcd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wio_h3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wix_lc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wiy_lc6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wjw_u6m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wk0_o7m.sdf
174:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
174:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
174: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
174:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
174:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
174:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
174:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
174: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
174:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
174:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
174:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
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174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
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174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
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174:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
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174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wk3_o7e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wk4_s0a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wk5_s0c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wk6_s0b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wk7_s0d.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wke_aub.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wlu_lse.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wmh_jja.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wn4_d87.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wqq_ib3.sdf
174:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
174: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
174:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
174:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
174:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
174: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
174:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
174:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
174:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
174:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
174: ok 2 # gradients 
174: ok 3 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( 25.189,  13.959,   7.126)  ( 25.262,  14.010,   7.142)  ( 0.29,  0.36,  0.21)
174:     bond    ( 58.080,   0.609,  15.368)  ( 58.147,   0.652,  15.373)  ( 0.12,  2.59,  0.03)
174:     angle   (-33.014,  13.257,  -8.293)  (-33.009,  13.265,  -8.292)  ( 0.02,  0.06,  0.00)
174:     torsion ( -0.007,  -0.001,   0.014)  ( -0.006,  -0.001,   0.024)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.130,   0.094,   0.037)  (  0.130,   0.094,   0.037)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-135.053, -156.995, -40.782)  (-134.971, -156.926, -40.765)  ( 0.06,  0.04,  0.04)
174:     bond    (-168.640, -135.476, -48.829)  (-168.564, -135.417, -48.824)  ( 0.04,  0.04,  0.01)
174:     angle   ( 33.577, -21.520,   8.093)  ( 33.584, -21.510,   8.096)  ( 0.02,  0.04,  0.04)
174:     torsion (  0.009,   0.001,  -0.046)  (  0.010,   0.001,  -0.037)  ( 0.00,  0.00,  0.04)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.629, -24.659,  -0.927)  ( -0.618, -24.639,  -0.924)  ( 0.65,  0.08,  0.29)
174:     bond    (-10.017, -15.265,  -3.131)  (-10.008, -15.245,  -3.131)  ( 0.08,  0.13,  0.02)
174:     angle   ( 13.893,  -9.812,   3.354)  ( 13.895,  -9.811,   3.354)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.007,  -0.001,   0.024)  ( -0.007,  -0.001,   0.027)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.372,   0.340,  -0.879)  ( -3.372,   0.340,  -0.879)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.126,   0.078,  -0.295)  ( -1.126,   0.078,  -0.295)  ( 0.00,  0.00,  0.00)
174:  4       ( 10.334,  23.137,   3.434)  ( 10.342,  23.160,   3.437)  ( 0.08,  0.10,  0.08)
174:     bond    ( -6.152,  11.706,  -1.247)  ( -6.146,  11.728,  -1.247)  ( 0.10,  0.19,  0.02)
174:     angle   ( 19.924,  11.039,   5.614)  ( 19.926,  11.039,   5.614)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.009,   0.001,  -0.036)  (  0.009,   0.001,  -0.033)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -2.908,  -0.086,  -0.770)  ( -2.908,  -0.086,  -0.770)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.539,   0.478,  -0.127)  ( -0.539,   0.478,  -0.127)  ( 0.00,  0.00,  0.00)
174:  5       (  2.550, -33.208,  -0.403)  (  2.558, -33.185,  -0.401)  ( 0.31,  0.07,  0.10)
174:     bond    ( 12.210, -24.825,   2.432)  ( 12.215, -24.802,   2.432)  ( 0.05,  0.09,  0.00)
174:     angle   (-14.826,  -7.709,  -4.160)  (-14.824,  -7.709,  -4.159)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.004,   0.000,  -0.017)  (  0.004,   0.000,  -0.015)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wqr_lsx.sdf
174:     vdw     (  3.498,  -0.119,   0.920)  (  3.498,  -0.119,   0.920)  ( 0.00,  0.00,  0.00)
174:     electro (  1.664,  -0.556,   0.422)  (  1.664,  -0.556,   0.422)  ( 0.00,  0.00,  0.00)
174:  6       (117.977, 192.469,  37.516)  (118.027, 192.554,  37.534)  ( 0.04,  0.04,  0.05)
174:     bond    (128.247, 182.517,  39.697)  (128.287, 182.596,  39.700)  ( 0.03,  0.04,  0.01)
174:     angle   (-13.318,   9.894,  -3.023)  (-13.308,   9.900,  -3.010)  ( 0.08,  0.06,  0.43)
174:     torsion ( -0.009,  -0.001,   0.033)  ( -0.009,  -0.001,   0.035)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.057,   0.060,   0.809)  (  3.057,   0.060,   0.809)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-20.624, -15.019,  -6.028)  (-20.600, -14.975,  -6.022)  ( 0.12,  0.30,  0.10)
174:     bond    (-13.952, -19.555,  -4.305)  (-13.930, -19.511,  -4.303)  ( 0.16,  0.22,  0.05)
174:     angle   ( -6.267,   4.824,  -1.607)  ( -6.264,   4.826,  -1.603)  ( 0.04,  0.03,  0.25)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.406,  -0.289,  -0.116)  ( -0.406,  -0.289,  -0.116)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 4 # gradients 
174: ok 5 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( 19.613,  39.037, -65.938)  ( 19.662,  39.085, -65.888)  ( 0.25,  0.12,  0.07)
174:     bond    ( 35.363,   4.708,  -8.226)  ( 35.398,   4.745,  -8.190)  ( 0.10,  0.78,  0.44)
174:     angle   (-11.879,  31.622, -54.395)  (-11.867,  31.633, -54.382)  ( 0.10,  0.04,  0.02)
174:     torsion ( -0.001,   0.614,   0.357)  ( -0.001,   0.615,   0.357)  ( 0.00,  0.03,  0.01)
174:     vdw     ( -3.869,   2.093,  -3.674)  ( -3.868,   2.093,  -3.674)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (119.205, -77.444, 130.932)  (119.268, -77.418, 130.999)  ( 0.05,  0.03,  0.05)
174:     bond    ( 91.119, -30.475,  52.665)  ( 91.170, -30.454,  52.724)  ( 0.06,  0.07,  0.11)
174:     angle   ( 28.099, -45.486,  79.118)  ( 28.111, -45.483,  79.125)  ( 0.04,  0.01,  0.01)
174:     torsion ( -0.013,  -1.484,  -0.850)  ( -0.013,  -1.481,  -0.849)  ( 0.00,  0.18,  0.08)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-73.250, -10.850,  16.560)  (-73.232, -10.836,  16.599)  ( 0.02,  0.13,  0.24)
174:     bond    (-24.487, -24.043,  41.291)  (-24.473, -24.030,  41.330)  ( 0.06,  0.05,  0.09)
174:     angle   (-50.205,  12.814, -22.277)  (-50.201,  12.815, -22.276)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.001,  -0.781,  -0.453)  (  0.001,  -0.780,  -0.453)  ( 0.00,  0.05,  0.01)
174:     vdw     (  0.738,   2.422,  -4.194)  (  0.738,   2.422,  -4.194)  ( 0.01,  0.00,  0.00)
174:     electro (  0.704,  -1.262,   2.192)  (  0.704,  -1.262,   2.192)  ( 0.00,  0.00,  0.00)
174:  4       ( 44.508,  37.050, -48.266)  ( 44.565,  37.070, -48.218)  ( 0.13,  0.05,  0.10)
174:     bond    (-23.001,  31.457, -52.235)  (-22.956,  31.470, -52.196)  ( 0.20,  0.04,  0.07)
174:     angle   ( 65.099,  -0.277,   0.177)  ( 65.110,  -0.275,   0.184)  ( 0.02,  0.07,  0.14)
174:     torsion (  0.043,   6.051,   3.476)  (  0.043,   6.055,   3.477)  ( 0.00,  0.07,  0.04)
174:     vdw     (  2.367,  -0.181,   0.316)  (  2.367,  -0.181,   0.316)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( -5.312,  28.754, -58.081)  ( -5.302,  28.761, -58.062)  ( 0.19,  0.03,  0.03)
174:     bond    ( 24.769,  25.591, -45.408)  ( 24.774,  25.597, -45.389)  ( 0.02,  0.02,  0.04)
174:     angle   (-37.301,   8.972, -15.298)  (-37.296,   8.972, -15.297)  ( 0.01,  0.00,  0.00)
174:     torsion ( -0.040,  -3.223,  -1.839)  ( -0.040,  -3.222,  -1.839)  ( 0.00,  0.04,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wqs_kbk.sdf
174:     vdw     (  7.168,  -3.099,   5.355)  (  7.168,  -3.099,   5.355)  ( 0.00,  0.00,  0.00)
174:     electro (  0.092,   0.513,  -0.892)  (  0.092,   0.513,  -0.892)  ( 0.00,  0.00,  0.00)
174:  6       (-66.742,  -5.678,   5.781)  (-66.712,  -5.676,   5.785)  ( 0.04,  0.05,  0.08)
174:     bond    (-68.080,  -2.555,   3.484)  (-68.050,  -2.555,   3.485)  ( 0.04,  0.01,  0.01)
174:     angle   (  0.031,  -0.395,   0.321)  (  0.031,  -0.394,   0.324)  ( 0.00,  0.05,  0.12)
174:     torsion (  0.009,  -1.188,  -0.694)  (  0.009,  -1.187,  -0.694)  ( 0.00,  0.08,  0.02)
174:     vdw     (  2.093,  -2.289,   3.970)  (  2.093,  -2.289,   3.971)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.795,   0.749,  -1.300)  ( -0.795,   0.749,  -1.300)  ( 0.00,  0.00,  0.00)
174:  7       (-12.100, -37.172,   8.219)  (-12.095, -37.146,   8.223)  ( 0.04,  0.07,  0.05)
174:     bond    (-10.745, -36.692,   0.762)  (-10.743, -36.666,   0.762)  ( 0.02,  0.07,  0.01)
174:     angle   (  1.275,  -0.185,   9.111)  (  1.278,  -0.185,   9.115)  ( 0.24,  0.00,  0.05)
174:     torsion ( -0.001,   0.000,  -0.007)  ( -0.001,   0.000,  -0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.629,  -0.295,  -1.648)  ( -2.629,  -0.295,  -1.648)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-12.272,  11.176,  36.423)  (-12.267,  11.185,  36.444)  ( 0.04,  0.08,  0.06)
174:     bond    (-10.895,  17.429,  32.321)  (-10.893,  17.434,  32.341)  ( 0.02,  0.03,  0.06)
174:     angle   (  1.384,  -7.884,   4.714)  (  1.387,  -7.880,   4.715)  ( 0.22,  0.04,  0.03)
174:     torsion (  0.001,  -0.006,   0.003)  (  0.001,  -0.006,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.762,   1.636,  -0.616)  ( -2.762,   1.636,  -0.616)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-13.893,  14.965, -25.900)  (-13.885,  14.974, -25.882)  ( 0.06,  0.06,  0.07)
174:     bond    (-14.232,  14.453, -24.883)  (-14.227,  14.458, -24.866)  ( 0.04,  0.04,  0.07)
174:     angle   (  3.445,   0.795,  -1.510)  (  3.448,   0.798,  -1.509)  ( 0.08,  0.26,  0.10)
174:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.106,  -0.288,   0.489)  ( -3.106,  -0.288,   0.489)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 6 # gradients 
174: ok 7 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-25.630, -28.431,  14.154)  (-25.582, -28.381,  14.202)  ( 0.19,  0.18,  0.34)
174:     bond    (-19.895,   7.377, -11.925)  (-19.860,   7.414, -11.888)  ( 0.17,  0.50,  0.30)
174:     angle   (-14.896, -48.982,   7.455)  (-14.883, -48.968,   7.466)  ( 0.08,  0.03,  0.15)
174:     torsion ( -5.124,   7.031,  17.238)  ( -5.124,   7.031,  17.239)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 14.285,   6.143,   1.385)  ( 14.285,   6.143,   1.385)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-128.910, 113.784, -158.185)  (-128.872, 113.809, -158.176)  ( 0.03,  0.02,  0.01)
174:     bond    (-121.810, -58.450, -11.109)  (-121.773, -58.436, -11.104)  ( 0.03,  0.02,  0.05)
174:     angle   (-22.250, 193.608, -95.414)  (-22.250, 193.620, -95.412)  ( 0.00,  0.01,  0.00)
174:     torsion ( 15.151, -21.375, -51.661)  ( 15.151, -21.375, -51.660)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( 25.701, -34.004, -11.496)  ( 25.706, -33.978, -11.492)  ( 0.02,  0.08,  0.04)
174:     bond    ( -1.395, -30.167,  -5.745)  ( -1.395, -30.140,  -5.745)  ( 0.01,  0.09,  0.01)
174:     angle   (-26.840,   0.424,   4.286)  (-26.837,   0.424,   4.289)  ( 0.01,  0.01,  0.09)
174:     torsion (  8.044,   1.903, -11.939)  (  8.044,   1.903, -11.939)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ws8_x4c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ws9_x4d.sdf
174:     vdw     ( 45.892,  -6.165,   1.903)  ( 45.893,  -6.165,   1.903)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       ( 29.422,  24.486,   0.356)  ( 29.443,  24.493,   0.363)  ( 0.07,  0.03,  0.25)
174:     bond    ( 29.102,  11.932, -12.746)  ( 29.123,  11.935, -12.742)  ( 0.07,  0.03,  0.03)
174:     angle   (  0.008,   2.865,   2.705)  (  0.009,   2.868,   2.708)  ( 0.00,  0.12,  0.12)
174:     torsion (  0.559,   9.747,  10.407)  (  0.559,   9.747,  10.407)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.248,  -0.058,  -0.010)  ( -0.248,  -0.058,  -0.010)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-14.201, -18.014,  39.388)  (-14.197, -18.010,  39.416)  ( 0.02,  0.02,  0.07)
174:     bond    ( -0.398,   5.832,  34.590)  ( -0.398,   5.833,  34.617)  ( 0.01,  0.01,  0.08)
174:     angle   ( -6.363, -12.617,   2.052)  ( -6.359, -12.613,   2.052)  ( 0.05,  0.03,  0.01)
174:     torsion ( -8.696, -11.525,   1.842)  ( -8.696, -11.525,   1.842)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.256,   0.295,   0.904)  (  1.256,   0.295,   0.904)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (189.902, -122.303, 155.949)  (189.974, -122.252, 155.970)  ( 0.04,  0.04,  0.01)
174:     bond    (103.167,  13.570,  25.866)  (103.234,  13.611,  25.884)  ( 0.06,  0.30,  0.07)
174:     angle   (105.259, -154.157,  97.805)  (105.264, -154.146,  97.807)  ( 0.00,  0.01,  0.00)
174:     torsion (-10.098,  14.460,  34.616)  (-10.098,  14.460,  34.618)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.426,   3.824,  -2.338)  ( -8.426,   3.824,  -2.338)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       ( 28.297,  20.835,   1.996)  ( 28.342,  20.848,   2.008)  ( 0.16,  0.06,  0.60)
174:     bond    ( 12.873,  -5.976,   6.570)  ( 12.917,  -5.967,   6.582)  ( 0.34,  0.16,  0.18)
174:     angle   ( 15.468,  26.087,  -6.706)  ( 15.469,  26.090,  -6.706)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.587,   0.850,   1.922)  ( -0.587,   0.850,   1.922)  ( 0.00,  0.01,  0.02)
174:     vdw     (  0.543,  -0.126,   0.210)  (  0.543,  -0.126,   0.210)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-104.818,  43.447, -42.297)  (-104.813,  43.471, -42.291)  ( 0.00,  0.06,  0.01)
174:     bond    ( -1.848,  55.726, -25.609)  ( -1.848,  55.750, -25.603)  ( 0.02,  0.04,  0.02)
174:     angle   (-50.415,  -7.276, -12.204)  (-50.413,  -7.275, -12.204)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.751,  -1.091,  -2.429)  (  0.751,  -1.091,  -2.429)  ( 0.00,  0.01,  0.01)
174:     vdw     (-53.305,  -3.913,  -2.055)  (-53.304,  -3.913,  -2.055)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 8 # gradients 
174: ok 9 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (105.440, -149.985, 260.331)  (105.486, -149.942, 260.360)  ( 0.04,  0.03,  0.01)
174:     bond    (105.838, -149.765, 260.004)  (105.879, -149.728, 260.027)  ( 0.04,  0.02,  0.01)
174:     angle   ( -0.389,  -0.217,   0.334)  ( -0.384,  -0.211,   0.340)  ( 0.21,  0.12,  0.21)
174:     torsion ( -0.009,  -0.003,  -0.007)  ( -0.009,  -0.003,  -0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-90.439,   1.612,  -3.158)  (-90.384,   1.663,  -3.108)  ( 0.06,  3.15,  1.59)
174:     bond    (-96.521,  -0.000,   0.010)  (-96.477,   0.040,   0.049)  ( 0.05,  0.00,  0.04)
174:     angle   (  0.198,  -0.177,  -0.044)  (  0.210,  -0.166,  -0.033)  ( 0.22,  0.20,  0.05)
174:     torsion ( -0.000,   0.004,  -0.001)  (  0.000,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( 17.766,  85.074,  -3.307)  ( 17.818,  85.129,  -3.256)  ( 0.29,  0.06,  1.52)
174:     bond    ( 31.918,  90.924,  -0.196)  ( 31.958,  90.967,  -0.157)  ( 0.13,  0.05,  0.78)
174:     angle   ( -0.248,  -0.340,  -0.003)  ( -0.237,  -0.328,   0.008)  ( 0.28,  0.38,  0.00)
174:     torsion (  0.004,  -0.001,   0.009)  (  0.004,  -0.001,   0.009)  ( 0.00,  0.00,  0.00)
174:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       ( 17.700, -39.682, -75.828)  ( 17.751, -39.631, -75.775)  ( 0.29,  0.13,  0.07)
174:     bond    ( 32.121, -45.510, -79.026)  ( 32.161, -45.470, -78.984)  ( 0.12,  0.09,  0.05)
174:     angle   ( -0.358,   0.352,  -0.032)  ( -0.347,   0.363,  -0.021)  ( 0.40,  0.38,  0.03)
174:     torsion ( -0.001,   0.004,  -0.002)  ( -0.001,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.116)  ( 0.02,  0.01,  0.05)
174:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
174:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-74.306, -104.570, 181.478)  (-74.299, -104.561, 181.498)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
174:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-43.647, -109.104, -189.246)  (-43.639, -109.094, -189.226)  ( 0.02,  0.01,  0.01)
174:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
174:     torsion ( -0.000,  -0.003,   0.002)  (  0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.12)
174:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
174:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
174:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wsj_mk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wsp_w09.sdf
174: 10       (-82.262,  92.018, -179.835)  (-82.254,  92.027, -179.815)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
174:     torsion (  0.003,  -0.001,  -0.002)  (  0.003,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (221.224,   6.299,   3.345)  (221.252,   6.304,   3.350)  ( 0.01,  0.08,  0.13)
174:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
174:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
174:     torsion ( -0.000,   0.003,  -0.002)  ( -0.000,   0.003,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-82.670, 109.687, -169.760)  (-82.663, 109.697, -169.740)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
174:     torsion ( -0.004,  -0.003,   0.000)  ( -0.004,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-82.957, -203.268,   2.436)  (-82.949, -203.243,   2.441)  ( 0.01,  0.01,  0.17)
174:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
174:     torsion (  0.006,  -0.002,   0.004)  (  0.006,  -0.002,   0.004)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 10 # gradients 
174: ok 11 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-352.758, 498.355, -863.403)  (-352.737, 498.374, -863.393)  ( 0.01,  0.00,  0.00)
174:     bond    (-352.351, 498.577, -863.775)  (-352.336, 498.590, -863.772)  ( 0.00,  0.00,  0.00)
174:     angle   ( -0.390,  -0.216,   0.386)  ( -0.384,  -0.210,   0.392)  ( 0.22,  0.13,  0.25)
174:     torsion ( -0.018,  -0.006,  -0.014)  ( -0.017,  -0.006,  -0.013)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (1285.827,   1.609,  -3.175)  (1285.867,   1.655,  -3.129)  ( 0.00,  2.87,  1.44)
174:     bond    (1279.745,   0.004,   0.014)  (1279.774,   0.040,   0.049)  ( 0.00,  0.02,  0.05)
174:     angle   (  0.198,  -0.189,  -0.064)  (  0.210,  -0.178,  -0.053)  ( 0.22,  0.21,  0.07)
174:     torsion ( -0.000,   0.008,  -0.003)  (  0.000,   0.008,  -0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-441.622, -1212.197,  -3.313)  (-441.575, -1212.156,  -3.266)  ( 0.01,  0.00,  1.39)
174:     bond    (-427.484, -1206.342,  -0.192)  (-427.450, -1206.312,  -0.157)  ( 0.01,  0.00,  0.67)
174:     angle   ( -0.237,  -0.343,  -0.023)  ( -0.226,  -0.332,  -0.012)  ( 0.27,  0.39,  0.02)
174:     torsion (  0.008,  -0.003,   0.019)  (  0.008,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
174:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-30.693, -11.779,   1.910)  (-30.693, -11.779,   1.910)  ( 0.00,  0.00,  0.00)
173:     electro (  0.336,   0.100,  -0.410)  (  0.336,   0.100,  -0.410)  ( 0.00,  0.00,  0.00)
173: 18       (-10.892,   2.830,   3.149)  (-10.855,   2.865,   3.156)  ( 0.34,  1.22,  0.23)
173:     bond    (-26.108,  11.489,   3.751)  (-26.079,  11.513,   3.752)  ( 0.11,  0.21,  0.02)
173:     angle   ( 17.655,  11.443,  -0.386)  ( 17.663,  11.452,  -0.386)  ( 0.05,  0.08,  0.01)
173:     torsion (  0.023,  -0.004,   0.922)  (  0.023,  -0.004,   0.928)  ( 0.00,  0.00,  0.52)
173:     oop     (  0.054,  -0.057,   0.611)  (  0.054,  -0.057,   0.612)  ( 0.00,  0.00,  0.05)
173:     vdw     ( -2.621, -20.472,  -1.573)  ( -2.621, -20.472,  -1.573)  ( 0.00,  0.00,  0.00)
173:     electro (  0.104,   0.432,  -0.177)  (  0.104,   0.432,  -0.177)  ( 0.00,  0.00,  0.00)
173: 19       ( -6.706,  41.818,   5.067)  ( -6.670,  41.854,   5.074)  ( 0.53,  0.09,  0.14)
173:     bond    ( 14.817,  44.410,   2.107)  ( 14.843,  44.438,   2.107)  ( 0.18,  0.06,  0.02)
173:     angle   (-43.553,  13.281,   5.879)  (-43.544,  13.290,   5.879)  ( 0.02,  0.06,  0.00)
173:     torsion (  0.360,  -0.156,   1.756)  (  0.360,  -0.156,   1.761)  ( 0.00,  0.00,  0.32)
173:     oop     ( -0.056,   0.054,  -0.676)  ( -0.056,   0.054,  -0.675)  ( 0.00,  0.00,  0.05)
173:     vdw     ( 21.895, -15.986,  -3.850)  ( 21.895, -15.985,  -3.850)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.168,   0.214,  -0.149)  ( -0.168,   0.214,  -0.149)  ( 0.00,  0.00,  0.00)
173: 20       ( 33.861, -14.075,  -4.471)  ( 33.896, -14.037,  -4.464)  ( 0.10,  0.27,  0.17)
173:     bond    (-68.040,   7.618,   7.671)  (-68.016,   7.647,   7.672)  ( 0.04,  0.38,  0.01)
173:     angle   ( 76.836, -12.707,  -9.348)  ( 76.845, -12.699,  -9.347)  ( 0.01,  0.06,  0.00)
173:     torsion (  0.614,   0.590,   2.084)  (  0.614,   0.590,   2.090)  ( 0.00,  0.00,  0.27)
173:     oop     ( -0.077,   0.050,  -0.633)  ( -0.077,   0.050,  -0.633)  ( 0.00,  0.00,  0.04)
173:     vdw     ( 24.478,  -9.518,  -4.065)  ( 24.478,  -9.517,  -4.065)  ( 0.00,  0.01,  0.00)
173:     electro (  0.052,  -0.108,  -0.180)  (  0.052,  -0.108,  -0.180)  ( 0.00,  0.00,  0.00)
173: 21       (-75.195, -94.709, -19.957)  (-75.167, -94.680, -19.932)  ( 0.04,  0.03,  0.13)
173:     bond    ( 19.062, -134.756,  15.494)  ( 19.079, -134.736,  15.511)  ( 0.09,  0.02,  0.11)
173:     angle   (-89.681,  26.976, -66.234)  (-89.670,  26.985, -66.227)  ( 0.01,  0.03,  0.01)
173:     torsion ( -3.611,   9.328,  32.657)  ( -3.611,   9.329,  32.658)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.154,   3.733,  -1.804)  ( -1.154,   3.733,  -1.804)  ( 0.01,  0.00,  0.00)
173:     electro (  0.189,   0.010,  -0.070)  (  0.189,   0.010,  -0.070)  ( 0.00,  0.00,  0.00)
173: 22       (-43.849,  35.946,  22.482)  (-43.823,  35.972,  22.509)  ( 0.06,  0.07,  0.12)
173:     bond    ( -1.607,  16.616,   5.991)  ( -1.588,  16.634,   6.010)  ( 1.16,  0.11,  0.31)
173:     angle   (-44.070,  -0.727,  18.021)  (-44.063,  -0.719,  18.029)  ( 0.02,  0.57,  0.05)
173:     torsion (  0.893,  -0.137,   1.141)  (  0.893,  -0.137,   1.141)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.119,  19.447,  -1.705)  (  0.119,  19.448,  -1.705)  ( 0.00,  0.00,  0.00)
173:     electro (  0.815,   0.747,  -0.966)  (  0.815,   0.747,  -0.966)  ( 0.00,  0.00,  0.00)
173: 23       ( 40.128,  62.376, -18.735)  ( 40.155,  62.403, -18.709)  ( 0.07,  0.04,  0.14)
173:     bond    (  7.688,  25.680,  -0.842)  (  7.706,  25.698,  -0.823)  ( 0.23,  0.07,  1.60)
173:     angle   ( 45.824,   9.442,  -7.751)  ( 45.832,   9.449,  -7.744)  ( 0.02,  0.08,  0.09)
173:     torsion (  1.073,  -0.468,   3.006)  (  1.073,  -0.468,   3.006)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.139,  27.642, -12.904)  (-15.139,  27.642, -12.904)  ( 0.00,  0.00,  0.00)
173:     electro (  0.683,   0.081,  -0.245)  (  0.683,   0.081,  -0.245)  ( 0.00,  0.00,  0.00)
174:  4       (-440.935, 609.305, 1047.967)  (-440.889, 609.350, 1048.009)  ( 0.01,  0.01,  0.00)
174:     bond    (-426.503, 603.459, 1044.784)  (-426.468, 603.492, 1044.815)  ( 0.01,  0.01,  0.00)
174:     angle   ( -0.369,   0.367,  -0.045)  ( -0.358,   0.378,  -0.034)  ( 0.42,  0.40,  0.05)
174:     torsion ( -0.002,   0.007,  -0.005)  ( -0.001,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.115)  ( 0.02,  0.01,  0.05)
174:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
174:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-74.306, -104.569, 181.479)  (-74.299, -104.559, 181.499)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
174:     torsion ( -0.000,   0.003,   0.002)  (  0.000,   0.003,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-43.647, -109.106, -189.244)  (-43.639, -109.096, -189.224)  ( 0.02,  0.01,  0.01)
174:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
174:     torsion ( -0.000,  -0.005,   0.003)  (  0.000,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.13)
174:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
174:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
174:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (-82.259,  92.017, -179.837)  (-82.251,  92.026, -179.817)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
174:     torsion (  0.006,  -0.002,  -0.003)  (  0.006,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (221.224,   6.302,   3.343)  (221.252,   6.307,   3.348)  ( 0.01,  0.08,  0.13)
174:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
174:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wt5_ya1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wt7_ya2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wth_im4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wtk_th4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wtm_n1y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wto_n2y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wtq_ys9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wv1_whh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wv2_wgg.sdf
173: 24       (-35.350,  24.158, -20.842)  (-35.322,  24.186, -20.816)  ( 0.08,  0.12,  0.12)
173:     bond    (-17.074, -20.890,   6.795)  (-17.055, -20.874,   6.814)  ( 0.11,  0.08,  0.28)
173:     angle   (-34.211,  74.889, -31.291)  (-34.202,  74.900, -31.285)  ( 0.03,  0.01,  0.02)
173:     torsion (  0.030,  -0.597,  -2.797)  (  0.030,  -0.597,  -2.797)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.941, -29.333,   6.141)  ( 15.941, -29.332,   6.141)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.036,   0.090,   0.311)  ( -0.036,   0.090,   0.311)  ( 0.00,  0.00,  0.00)
173: 25       ( -4.005, -35.757,   9.757)  ( -3.978, -35.729,   9.783)  ( 0.68,  0.08,  0.27)
173:     bond    (-19.308, -21.655,   3.878)  (-19.290, -21.638,   3.896)  ( 0.09,  0.08,  0.48)
173:     angle   (-12.970, -44.781,  10.202)  (-12.962, -44.772,  10.210)  ( 0.07,  0.02,  0.08)
173:     torsion (  0.291,  -1.681,  -0.670)  (  0.291,  -1.681,  -0.669)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 28.060,  32.404,  -3.626)  ( 28.061,  32.404,  -3.626)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.078,  -0.042,  -0.027)  ( -0.078,  -0.042,  -0.027)  ( 0.00,  0.00,  0.00)
173: 26       (-12.718,  32.035, -17.139)  (-12.693,  32.063, -17.112)  ( 0.20,  0.09,  0.16)
173:     bond    ( 26.194,  -4.992, -20.042)  ( 26.211,  -4.974, -20.024)  ( 0.06,  0.36,  0.09)
173:     angle   (-34.739,  37.730,  -1.113)  (-34.730,  37.740,  -1.104)  ( 0.02,  0.03,  0.80)
173:     torsion ( -1.357,   1.201,   3.532)  ( -1.357,   1.201,   3.533)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.664,  -2.061,  -0.071)  ( -2.664,  -2.061,  -0.071)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.152,   0.156,   0.554)  ( -0.152,   0.156,   0.554)  ( 0.00,  0.00,  0.00)
173: 27       (-21.880, -34.632,  -0.479)  (-21.853, -34.605,  -0.453)  ( 0.12,  0.08,  1.27)
173:     bond    (-14.761,  -7.627,  -1.929)  (-14.743,  -7.610,  -1.910)  ( 0.12,  0.23,  0.95)
173:     angle   (-11.619, -28.651,  -4.838)  (-11.610, -28.642,  -4.830)  ( 0.07,  0.03,  0.16)
173:     torsion (  0.246,  -1.631,   2.532)  (  0.246,  -1.631,   2.532)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.254,   3.276,   3.753)  (  4.254,   3.276,   3.753)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.001,   0.001,   0.002)  ( -0.001,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
173: 28       (-68.563,   7.677,  62.614)  (-68.536,   7.704,  62.641)  ( 0.04,  0.35,  0.04)
173:     bond    ( -6.862,  14.567,  27.689)  ( -6.845,  14.586,  27.706)  ( 0.25,  0.13,  0.06)
173:     angle   (-56.818,  -9.228,  33.605)  (-56.808,  -9.219,  33.614)  ( 0.02,  0.09,  0.03)
173:     torsion ( -0.326,   6.423,   2.908)  ( -0.326,   6.423,   2.908)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.961,  -4.071,  -1.336)  ( -6.960,  -4.071,  -1.336)  ( 0.01,  0.00,  0.00)
173:     electro (  2.404,  -0.015,  -0.252)  (  2.404,  -0.015,  -0.252)  ( 0.00,  0.00,  0.00)
173: 29       ( 97.566,  39.234,  49.639)  ( 97.592,  39.261,  49.667)  ( 0.03,  0.07,  0.06)
173:     bond    ( 38.958,   1.760, -15.397)  ( 38.975,   1.780, -15.379)  ( 0.04,  1.10,  0.12)
173:     angle   ( 47.662,  38.092,  64.344)  ( 47.671,  38.100,  64.354)  ( 0.02,  0.02,  0.01)
173:     torsion ( -0.571,  -2.671,   1.376)  ( -0.571,  -2.671,   1.376)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.548,   2.593,   0.651)  ( 11.548,   2.593,   0.651)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.031,  -0.541,  -1.335)  ( -0.031,  -0.541,  -1.335)  ( 0.00,  0.00,  0.00)
173: 30       (-211.241,   2.375, -460.366)  (-211.218,   2.392, -460.326)  ( 0.01,  0.73,  0.01)
173:     bond    (-93.984, 105.320, -344.512)  (-93.969, 105.332, -344.479)  ( 0.02,  0.01,  0.01)
173:     angle   (-135.067, -96.566, -99.825)  (-135.060, -96.561, -99.819)  ( 0.01,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wv3_wll.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wvc_feg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wvc_zgp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wwr_3aj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wxc_c93.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wyc_nes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wyj_h78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wyk_3kg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wyl_3kb.sdf
173:     torsion (  3.176,  -4.069,   1.071)  (  3.176,  -4.069,   1.071)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.760,  -1.588,  -9.710)  ( 11.761,  -1.588,  -9.710)  ( 0.00,  0.00,  0.00)
173:     electro (  2.875,  -0.722,  -7.390)  (  2.875,  -0.723,  -7.390)  ( 0.00,  0.00,  0.00)
173: 31       ( 84.573, -65.899, 260.818)  ( 84.577, -65.890, 260.838)  ( 0.00,  0.01,  0.01)
173:     bond    (-23.042, -129.937, 215.320)  (-23.041, -129.929, 215.340)  ( 0.01,  0.01,  0.01)
173:     angle   (104.345,  56.237,  45.097)  (104.348,  56.238,  45.097)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.582,   2.176,   1.144)  ( -1.582,   2.176,   1.144)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.150,   6.735,  -1.246)  (  7.150,   6.735,  -1.246)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.298,  -1.110,   0.503)  ( -2.298,  -1.110,   0.503)  ( 0.00,  0.00,  0.00)
173: 32       (153.921,  45.857, 101.832)  (153.929,  45.858, 101.846)  ( 0.01,  0.00,  0.01)
173:     bond    ( 88.385,   2.775, 131.073)  ( 88.390,   2.774, 131.086)  ( 0.01,  0.02,  0.01)
173:     angle   ( 29.465,  35.231, -20.615)  ( 29.466,  35.233, -20.614)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 40.401,   7.952, -10.988)  ( 40.402,   7.952, -10.988)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.330,  -0.101,   2.362)  ( -4.330,  -0.101,   2.362)  ( 0.00,  0.00,  0.00)
173: 33       ( 34.599,   8.773,  17.015)  ( 34.601,   8.792,  17.029)  ( 0.01,  0.23,  0.09)
173:     bond    ( -0.931,  -0.094,  13.188)  ( -0.931,  -0.076,  13.198)  ( 0.00,  0.17,  0.08)
173:     angle   ( 37.679,  -5.459,   3.706)  ( 37.681,  -5.457,   3.710)  ( 0.01,  0.03,  0.12)
173:     torsion ( -2.198,   0.487,  -0.359)  ( -2.198,   0.487,  -0.359)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.106,  13.218,   8.037)  (  6.106,  13.219,   8.037)  ( 0.01,  0.00,  0.00)
173:     electro ( -6.057,   0.619,  -7.557)  ( -6.057,   0.619,  -7.557)  ( 0.00,  0.00,  0.00)
173: 34       ( 33.130,   5.463, -20.134)  ( 33.150,   5.466, -20.118)  ( 0.06,  0.05,  0.08)
173:     bond    ( 36.819,   7.564, -22.250)  ( 36.835,   7.564, -22.238)  ( 0.04,  0.01,  0.06)
173:     angle   ( 20.113,   0.836, -26.169)  ( 20.115,   0.838, -26.166)  ( 0.01,  0.17,  0.01)
173:     torsion (  0.873,  -4.115,  -0.376)  (  0.873,  -4.115,  -0.376)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.554,   7.633,  28.136)  (-19.553,   7.633,  28.136)  ( 0.01,  0.00,  0.00)
173:     electro ( -5.121,  -6.454,   0.526)  ( -5.121,  -6.454,   0.526)  ( 0.00,  0.00,  0.00)
173: 35       ( -1.397,  -2.301,  -2.598)  ( -1.382,  -2.298,  -2.596)  ( 1.02,  0.14,  0.07)
173:     bond    ( -0.207,   0.003,   0.020)  ( -0.193,   0.003,   0.021)  ( 0.30,  0.00,  0.00)
173:     angle   ( -0.154,  -3.078,  -1.048)  ( -0.154,  -3.075,  -1.048)  ( 0.00,  0.10,  0.03)
173:     torsion ( -0.177,   0.616,  -1.738)  ( -0.177,   0.616,  -1.737)  ( 0.00,  0.01,  0.07)
173:     oop     ( -0.010,   0.032,  -0.094)  ( -0.010,   0.032,  -0.094)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.430,   0.011,   0.053)  ( -0.430,   0.011,   0.053)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.419,   0.115,   0.210)  ( -0.419,   0.115,   0.210)  ( 0.00,  0.00,  0.00)
173: 36       ( -3.638,  -2.095,   2.460)  ( -3.633,  -2.084,   2.463)  ( 0.16,  0.52,  0.11)
173:     bond    ( -0.077,   0.125,   0.050)  ( -0.074,   0.135,   0.052)  ( 0.02,  0.13,  0.01)
173:     angle   ( -4.012,  -2.038,  -0.376)  ( -4.009,  -2.037,  -0.376)  ( 0.07,  0.03,  0.00)
173:     torsion (  0.205,  -0.846,   2.500)  (  0.205,  -0.846,   2.501)  ( 0.00,  0.01,  0.05)
173:     oop     ( -0.015,   0.069,  -0.201)  ( -0.015,   0.069,  -0.201)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.199,   0.358,   0.149)  ( -0.199,   0.358,   0.149)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.000,   0.007,  -0.004)  ( -0.000,   0.007,  -0.004)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-82.674, 109.685, -169.760)  (-82.667, 109.695, -169.740)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
174:     torsion ( -0.007,  -0.005,   0.000)  ( -0.007,  -0.005,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-82.951, -203.270,   2.440)  (-82.943, -203.245,   2.444)  ( 0.01,  0.01,  0.17)
174:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
174:     torsion (  0.012,  -0.004,   0.007)  (  0.012,  -0.004,   0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 12 # gradients 
174: ok 13 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-37.135, -25.583,  -5.155)  (-37.065, -25.493,  -5.141)  ( 0.19,  0.35,  0.27)
174:     bond    (-39.393, -37.584,  -9.117)  (-39.335, -37.506,  -9.108)  ( 0.15,  0.21,  0.11)
174:     angle   (  7.381,  12.289,   3.318)  (  7.394,  12.300,   3.319)  ( 0.17,  0.09,  0.04)
174:     torsion (  0.061,  -0.144,   0.321)  (  0.061,  -0.144,   0.324)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -5.824,   0.116,   0.584)  ( -5.824,   0.116,   0.584)  ( 0.00,  0.00,  0.00)
174:     electro (  0.639,  -0.259,  -0.260)  (  0.639,  -0.259,  -0.260)  ( 0.00,  0.00,  0.00)
174:  2       ( 38.411,  37.278,   9.927)  ( 38.505,  37.348,   9.938)  ( 0.24,  0.19,  0.11)
174:     bond    ( 31.945,  49.472,  14.218)  ( 32.026,  49.531,  14.224)  ( 0.25,  0.12,  0.04)
174:     angle   (  8.741, -16.613,  -6.348)  (  8.754, -16.602,  -6.347)  ( 0.14,  0.07,  0.02)
174:     torsion ( -0.021,  -0.066,   0.306)  ( -0.021,  -0.066,   0.309)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -2.211,   5.417,   2.288)  ( -2.211,   5.417,   2.288)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.043,  -0.931,  -0.537)  ( -0.043,  -0.931,  -0.537)  ( 0.00,  0.00,  0.00)
174:  3       ( 37.676,   9.956,  11.493)  ( 37.770,  10.028,  11.506)  ( 0.25,  0.72,  0.11)
174:     bond    ( 22.225, -39.741, -16.148)  ( 22.304, -39.682, -16.140)  ( 0.36,  0.15,  0.05)
174:     angle   ( 15.646,  49.327,  16.801)  ( 15.661,  49.339,  16.803)  ( 0.09,  0.02,  0.01)
174:     torsion (  0.640,  -4.608,  12.311)  (  0.640,  -4.608,  12.314)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -0.175,   6.511,  -0.244)  ( -0.175,   6.511,  -0.244)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.660,  -1.533,  -1.228)  ( -0.660,  -1.533,  -1.228)  ( 0.00,  0.00,  0.00)
174:  4       (-82.568,   2.725,  38.198)  (-82.476,   2.823,  38.217)  ( 0.11,  3.60,  0.05)
174:     bond    (-63.591,  43.917,  19.919)  (-63.515,  43.994,  19.930)  ( 0.12,  0.18,  0.05)
174:     angle   (-24.738, -39.856,  21.223)  (-24.722, -39.835,  21.228)  ( 0.07,  0.05,  0.03)
174:     torsion ( -0.219,  -0.406,  -1.055)  ( -0.219,  -0.405,  -1.052)  ( 0.00,  0.03,  0.30)
174:     vdw     (  5.980,  -0.930,  -1.889)  (  5.980,  -0.930,  -1.889)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-79.362, -10.491,   1.322)  (-79.266, -10.421,   1.335)  ( 0.12,  0.67,  0.93)
174:     bond    (-52.026,   2.020,   6.986)  (-51.946,   2.079,   6.994)  ( 0.16,  2.88,  0.11)
174:     angle   (-28.249,  -8.322,  -0.594)  (-28.234,  -8.310,  -0.592)  ( 0.05,  0.14,  0.10)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wym_3k9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wyy_o17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wz6_ixz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wz7_ixy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wz8_ixv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wzd_lev.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wzj_o43.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wzk_o23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wzo_zoe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3wzq_zof.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3x31_41v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3x36_41w.sdf
173:     electro (  0.459,   0.237,   0.338)  (  0.459,   0.237,   0.338)  ( 0.00,  0.00,  0.00)
173: 37       ( -2.211,  -0.190,  -2.679)  ( -2.204,  -0.179,  -2.676)  ( 0.31,  0.20,  0.09)
173:     bond    (  0.399,   0.635,   0.185)  (  0.403,   0.645,   0.186)  ( 0.15,  0.62,  0.02)
173:     angle   ( 13.594,  -7.458,  -3.603)  ( 13.596,  -7.457,  -3.603)  ( 0.02,  0.01,  0.01)
173:     torsion (  0.415,  -1.567,   4.535)  (  0.415,  -1.567,   4.536)  ( 0.00,  0.01,  0.03)
173:     oop     (  0.038,  -0.140,   0.405)  (  0.038,  -0.140,   0.406)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.930,   8.881,  -5.857)  (-17.930,   8.881,  -5.856)  ( 0.00,  0.00,  0.00)
173:     electro (  1.275,  -0.541,   1.656)  (  1.275,  -0.541,   1.656)  ( 0.00,  0.00,  0.00)
173: 38       (  9.311,   1.352,  -6.637)  (  9.316,   1.363,  -6.634)  ( 0.06,  0.81,  0.04)
173:     bond    (  1.512,  -2.888,  -1.076)  (  1.515,  -2.878,  -1.074)  ( 0.19,  0.35,  0.13)
173:     angle   ( 10.740,   5.305,   0.937)  ( 10.743,   5.306,   0.937)  ( 0.03,  0.01,  0.00)
173:     torsion ( -0.305,   1.578,  -4.657)  ( -0.305,   1.578,  -4.656)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.137,   0.409,  -1.289)  ( -0.137,   0.409,  -1.289)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -1.519,  -2.932,  -0.753)  ( -1.519,  -2.932,  -0.753)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.980,  -0.120,   0.202)  ( -0.980,  -0.120,   0.202)  ( 0.00,  0.00,  0.00)
173: 39       (  1.298,  -0.194,  -7.079)  (  1.305,  -0.183,  -7.077)  ( 0.51,  0.21,  0.03)
173:     bond    ( -0.224,  -0.345,  -0.086)  ( -0.220,  -0.335,  -0.086)  ( 0.09,  0.33,  0.01)
173:     angle   (  2.452,  -1.417,  -0.765)  (  2.455,  -1.417,  -0.765)  ( 0.10,  0.06,  0.02)
173:     torsion ( -0.666,   1.960,  -5.949)  ( -0.666,   1.960,  -5.948)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.029,   0.088,  -0.271)  ( -0.029,   0.088,  -0.271)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.201,  -0.365,  -0.080)  ( -0.201,  -0.365,  -0.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.034,  -0.115,   0.073)  ( -0.034,  -0.115,   0.073)  ( 0.00,  0.00,  0.00)
173: 40       (-27.304,  17.741, -19.481)  (-27.298,  17.750, -19.474)  ( 0.02,  0.05,  0.04)
173:     bond    ( -4.047,   6.668,   5.962)  ( -4.044,   6.676,   5.968)  ( 0.07,  0.12,  0.11)
173:     angle   (-32.259,  -8.720, -12.106)  (-32.256,  -8.719, -12.106)  ( 0.01,  0.00,  0.00)
173:     torsion (  6.889,  17.653, -15.079)  (  6.889,  17.653, -15.078)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.215,  -0.181,   0.385)  (  0.215,  -0.181,   0.385)  ( 0.00,  0.00,  0.00)
173:     electro (  1.899,   2.322,   1.356)  (  1.899,   2.322,   1.356)  ( 0.00,  0.00,  0.00)
173: 41       (-10.604, -14.059,  10.085)  (-10.592, -14.053,  10.085)  ( 0.11,  0.05,  0.01)
173:     bond    ( 13.925,  -8.026,   2.285)  ( 13.936,  -8.022,   2.285)  ( 0.08,  0.04,  0.01)
173:     angle   ( -0.807,  -1.358,   0.155)  ( -0.806,  -1.357,   0.156)  ( 0.04,  0.10,  0.00)
173:     torsion (  0.151,  -0.329,  -2.076)  (  0.151,  -0.329,  -2.076)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.770,  -3.334,   8.228)  (-22.769,  -3.333,   8.228)  ( 0.00,  0.04,  0.00)
173:     electro ( -1.103,  -1.013,   1.492)  ( -1.103,  -1.013,   1.492)  ( 0.00,  0.00,  0.00)
173: 42       (  0.370,   6.728,  -6.496)  (  0.381,   6.735,  -6.494)  ( 0.40,  0.11,  0.03)
173:     bond    (-12.221,   8.165,   2.759)  (-12.211,   8.170,   2.760)  ( 0.08,  0.05,  0.02)
173:     angle   ( 12.308,  18.327,   0.205)  ( 12.309,  18.329,   0.205)  ( 0.01,  0.01,  0.00)
173:     torsion ( -2.872,   2.247, -19.362)  ( -2.872,   2.247, -19.361)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.023,   0.017,  -0.155)  ( -0.023,   0.017,  -0.154)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.920, -22.664,   8.579)  (  3.920, -22.664,   8.579)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.741,   0.636,   1.477)  ( -0.741,   0.636,   1.477)  ( 0.00,  0.00,  0.00)
173: 43       ( -2.306,   1.427,   5.607)  ( -2.294,   1.432,   5.609)  ( 0.55,  0.36,  0.03)
173:     bond    ( -0.821,  -0.350,   0.047)  ( -0.809,  -0.347,   0.047)  ( 1.00,  0.08,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3x44_pus.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zbx_6xe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zc5_w9z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zc6_vfc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zcl_5tf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zcm_px3.sdf
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173:     oop     ( -0.007,   0.007,  -0.067)  ( -0.007,   0.007,  -0.067)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.522,  -0.099,  -0.057)  ( -0.522,  -0.099,  -0.057)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.384,  -0.177,   0.379)  ( -0.384,  -0.177,   0.379)  ( 0.00,  0.00,  0.00)
173: 44       ( -5.986,  -2.975,   2.681)  ( -5.983,  -2.961,   2.682)  ( 0.06,  0.48,  0.06)
173:     bond    ( -0.296,  -2.388,  -0.213)  ( -0.295,  -2.374,  -0.213)  ( 0.01,  0.59,  0.00)
173:     angle   ( -5.715,   0.653,   0.641)  ( -5.711,   0.653,   0.641)  ( 0.06,  0.00,  0.00)
173:     torsion (  0.220,  -0.241,   2.378)  (  0.220,  -0.241,   2.380)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.015,   0.016,  -0.163)  ( -0.015,   0.016,  -0.163)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.067,  -0.429,  -0.052)  ( -0.067,  -0.429,  -0.052)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.113,  -0.587,   0.089)  ( -0.113,  -0.587,   0.089)  ( 0.00,  0.00,  0.00)
173: 45       ( -4.994,  -6.103,  -3.487)  ( -4.984,  -6.096,  -3.486)  ( 0.21,  0.12,  0.05)
173:     bond    ( -0.789,   0.563,   0.120)  ( -0.780,   0.568,   0.120)  ( 0.73,  0.28,  0.00)
173:     angle   ( -4.396,  -6.013,  -0.114)  ( -4.395,  -6.011,  -0.114)  ( 0.03,  0.04,  0.00)
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173:     electro (  0.216,  -0.371,   0.107)  (  0.216,  -0.371,   0.107)  ( 0.00,  0.00,  0.00)
173: 46       ( -7.361,  -5.194,  -4.599)  ( -7.348,  -5.189,  -4.597)  ( 0.18,  0.11,  0.03)
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173:     electro ( -0.450,  -0.507,   0.018)  ( -0.450,  -0.507,   0.018)  ( 0.00,  0.00,  0.00)
173: 47       (  4.005,  15.631,  18.729)  (  4.010,  15.635,  18.741)  ( 0.12,  0.02,  0.06)
173:     bond    (  9.903,   3.121,  20.511)  (  9.906,   3.121,  20.522)  ( 0.03,  0.01,  0.05)
173:     angle   ( -5.970,  10.337,   1.308)  ( -5.968,  10.340,   1.308)  ( 0.03,  0.03,  0.04)
173:     torsion (  0.647,   3.917,  -0.908)  (  0.647,   3.917,  -0.908)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.318,  -1.545,  -2.238)  ( -0.318,  -1.545,  -2.238)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.257,  -0.199,   0.056)  ( -0.257,  -0.199,   0.056)  ( 0.00,  0.00,  0.00)
173: 48       (  9.842,  10.206,  -5.039)  (  9.854,  10.212,  -5.036)  ( 0.12,  0.05,  0.05)
173:     bond    ( -2.986,  -1.468,  -0.385)  ( -2.974,  -1.465,  -0.385)  ( 0.38,  0.18,  0.01)
173:     angle   ( 10.696, -22.969,   4.762)  ( 10.696, -22.967,   4.764)  ( 0.00,  0.01,  0.05)
173:     torsion (  1.009,  -2.897,   3.227)  (  1.009,  -2.897,   3.227)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.209,  38.024, -13.364)  (  1.209,  38.025, -13.364)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.087,  -0.483,   0.722)  ( -0.087,  -0.483,   0.722)  ( 0.00,  0.00,  0.00)
173: 49       (  4.853,  -4.015,  -5.505)  (  4.856,  -4.013,  -5.491)  ( 0.07,  0.05,  0.24)
173:     bond    ( -1.510,   0.203,  -5.553)  ( -1.509,   0.203,  -5.539)  ( 0.07,  0.00,  0.24)
173:     angle   (  5.932,  -9.411,  -1.962)  (  5.934,  -9.409,  -1.962)  ( 0.04,  0.02,  0.01)
173:     torsion (  1.808,   3.507,  -0.364)  (  1.808,   3.507,  -0.364)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zcv_n85.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zcw_4a2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zdg_xrx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zdh_xrs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zdi_ugj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zdu_38r.sdf
174:     torsion (  0.098,   1.325,  -3.983)  (  0.099,   1.325,  -3.980)  ( 0.00,  0.03,  0.07)
174:     vdw     ( -0.161,  -6.107,  -1.169)  ( -0.161,  -6.107,  -1.169)  ( 0.00,  0.00,  0.00)
174:     electro (  0.976,   0.593,   0.083)  (  0.976,   0.593,   0.083)  ( 0.00,  0.00,  0.00)
174:  6       ( 36.692, -14.717,  -9.327)  ( 36.783, -14.646,  -9.314)  ( 0.25,  0.48,  0.14)
174:     bond    ( 53.347, -12.349,  -9.653)  ( 53.426, -12.289,  -9.645)  ( 0.15,  0.48,  0.09)
174:     angle   (-14.012,   2.744,   2.305)  (-13.999,   2.755,   2.306)  ( 0.09,  0.41,  0.06)
174:     torsion ( -0.010,   0.362,  -0.308)  ( -0.010,   0.362,  -0.305)  ( 0.00,  0.01,  0.09)
174:     vdw     ( -3.247,  -5.827,  -1.669)  ( -3.247,  -5.827,  -1.669)  ( 0.00,  0.00,  0.00)
174:     electro (  0.614,   0.354,  -0.001)  (  0.614,   0.354,  -0.001)  ( 0.00,  0.00,  0.00)
174:  7       (200.889,   4.865, 180.344)  (200.967,   4.901, 180.385)  ( 0.04,  0.75,  0.02)
174:     bond    (222.352,  66.628, 140.599)  (222.417,  66.649, 140.627)  ( 0.03,  0.03,  0.02)
174:     angle   (  5.358,   8.587, -17.210)  (  5.370,   8.600, -17.200)  ( 0.22,  0.14,  0.06)
174:     torsion (-24.205, -77.836,  59.395)  (-24.204, -77.834,  59.396)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.040,   8.269,  -3.213)  ( -0.040,   8.269,  -3.213)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.577,  -0.783,   0.775)  ( -2.577,  -0.783,   0.775)  ( 0.00,  0.00,  0.00)
174:  8       (-737.337, -58.076, -13.799)  (-737.247, -58.047, -13.726)  ( 0.01,  0.05,  0.52)
174:     bond    (-746.916,   5.571,  66.213)  (-746.841,   5.590,  66.276)  ( 0.01,  0.34,  0.10)
174:     angle   (  0.733, -57.566, -37.981)  (  0.748, -57.560, -37.972)  ( 1.06,  0.01,  0.02)
174:     torsion (  2.354,   5.244, -42.997)  (  2.354,   5.247, -42.997)  ( 0.01,  0.06,  0.00)
174:     vdw     (  5.596, -11.059,   1.056)  (  5.596, -11.058,   1.056)  ( 0.00,  0.01,  0.00)
174:     electro (  0.896,  -0.266,  -0.089)  (  0.896,  -0.266,  -0.089)  ( 0.00,  0.00,  0.00)
174:  9       ( 53.979, -50.957, -165.826)  ( 53.991, -50.942, -165.779)  ( 0.02,  0.03,  0.03)
174:     bond    ( 56.519, -79.843, -150.792)  ( 56.526, -79.830, -150.746)  ( 0.01,  0.02,  0.03)
174:     angle   (-10.922,  -2.355,  -2.847)  (-10.917,  -2.355,  -2.846)  ( 0.04,  0.01,  0.01)
174:     torsion ( -3.071,  52.160, -28.774)  ( -3.071,  52.160, -28.774)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 11.731, -21.333,  17.254)  ( 11.732, -21.332,  17.254)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.278,   0.414,  -0.667)  ( -0.278,   0.414,  -0.667)  ( 0.00,  0.00,  0.00)
174: 10       (902.852, -191.252, -156.971)  (902.958, -191.166, -156.961)  ( 0.01,  0.05,  0.01)
174:     bond    (1009.544, -205.757, -159.927)  (1009.639, -205.682, -159.922)  ( 0.01,  0.04,  0.00)
174:     angle   (-118.889,  28.667, -37.671)  (-118.878,  28.678, -37.668)  ( 0.01,  0.04,  0.01)
174:     torsion (  5.313, -17.875,  36.215)  (  5.313, -17.874,  36.217)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.885,   3.712,   4.412)  (  6.885,   3.712,   4.412)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (319.105, -323.366, 188.016)  (319.191, -323.286, 188.027)  ( 0.03,  0.02,  0.01)
174:     bond    (249.730, -328.174,  79.290)  (249.802, -328.108,  79.298)  ( 0.03,  0.02,  0.01)
174:     angle   ( 68.513,  15.709, 114.859)  ( 68.526,  15.722, 114.861)  ( 0.02,  0.08,  0.00)
174:     torsion (  2.045,  -6.876,  -5.315)  (  2.045,  -6.876,  -5.314)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.183,  -4.025,  -0.819)  ( -1.183,  -4.025,  -0.819)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (792.462, 567.885, -81.270)  (792.541, 567.969, -81.256)  ( 0.01,  0.01,  0.02)
174:     bond    (843.893, 675.743, -78.173)  (843.959, 675.813, -78.163)  ( 0.01,  0.01,  0.01)
174:     angle   (-49.137, -108.267,  -6.420)  (-49.125, -108.254,  -6.418)  ( 0.03,  0.01,  0.04)
174:     torsion ( -0.622,   0.403,   3.289)  ( -0.622,   0.403,   3.291)  ( 0.00,  0.00,  0.07)
174:     vdw     ( -1.673,   0.006,   0.034)  ( -1.673,   0.006,   0.034)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zdw_ebs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zep_1nx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zg2_udo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zg3_udd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zgg_iug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zgz_84t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zh8_c58.sdf
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.168,   2.278,   2.124)  ( -1.168,   2.278,   2.124)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.210,  -0.592,   0.251)  ( -0.210,  -0.592,   0.251)  ( 0.00,  0.00,  0.00)
173: 50       (  6.321, -10.163,   5.748)  (  6.324, -10.150,   5.751)  ( 0.05,  0.13,  0.05)
173:     bond    (  2.117, -12.995,   3.296)  (  2.118, -12.982,   3.297)  ( 0.02,  0.10,  0.03)
173:     angle   ( 23.690,   2.886,  -3.858)  ( 23.692,   2.886,  -3.856)  ( 0.01,  0.01,  0.06)
173:     torsion ( -2.667,  -1.040,  -2.383)  ( -2.667,  -1.040,  -2.383)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-16.674,   1.224,   8.402)  (-16.674,   1.224,   8.402)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.144,  -0.238,   0.291)  ( -0.144,  -0.238,   0.291)  ( 0.00,  0.00,  0.00)
173: 51       (-11.159,   0.824,   1.383)  (-11.152,   0.828,   1.391)  ( 0.07,  0.31,  0.61)
173:     bond    (  1.143,  -0.477,  -1.327)  (  1.148,  -0.476,  -1.320)  ( 0.50,  0.05,  0.56)
173:     angle   (  5.083, -23.043,  12.744)  (  5.085, -23.041,  12.745)  ( 0.03,  0.01,  0.01)
173:     torsion (  1.056,  -0.829,   1.218)  (  1.056,  -0.829,   1.218)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.079,  25.401, -11.494)  (-18.079,  25.401, -11.494)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.361,  -0.226,   0.242)  ( -0.361,  -0.226,   0.242)  ( 0.00,  0.00,  0.00)
173: 52       (  1.887, -12.873,   2.635)  (  1.891, -12.862,   2.638)  ( 0.25,  0.09,  0.13)
173:     bond    (  5.865, -12.571,   4.407)  (  5.867, -12.561,   4.409)  ( 0.04,  0.08,  0.03)
173:     angle   (-16.261,  -5.126,   7.034)  (-16.259,  -5.126,   7.035)  ( 0.01,  0.01,  0.03)
173:     torsion (  0.084,  -0.277,  -0.902)  (  0.084,  -0.277,  -0.902)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.154,   5.201,  -8.000)  ( 12.154,   5.201,  -7.999)  ( 0.00,  0.00,  0.00)
173:     electro (  0.045,  -0.099,   0.095)  (  0.045,  -0.099,   0.095)  ( 0.00,  0.00,  0.00)
173: 53       ( -4.015,  -6.216,  -4.357)  ( -4.010,  -6.213,  -4.346)  ( 0.14,  0.05,  0.25)
173:     bond    ( -2.836,  -1.117,  -4.722)  ( -2.832,  -1.116,  -4.712)  ( 0.13,  0.05,  0.21)
173:     angle   (  3.989, -18.137,   1.897)  (  3.991, -18.135,   1.898)  ( 0.04,  0.01,  0.04)
173:     torsion ( -0.395,   0.435,   0.134)  ( -0.395,   0.435,   0.134)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.529,  12.962,  -1.841)  ( -4.529,  12.962,  -1.841)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.244,  -0.358,   0.175)  ( -0.244,  -0.358,   0.175)  ( 0.00,  0.00,  0.00)
173: 54       ( 22.763,   4.803,  12.149)  ( 22.766,   4.808,  12.161)  ( 0.01,  0.10,  0.10)
173:     bond    (  0.180,   1.829,  -4.169)  (  0.180,   1.831,  -4.157)  ( 0.00,  0.12,  0.28)
173:     angle   (  0.722,  24.102,  10.649)  (  0.724,  24.104,  10.649)  ( 0.19,  0.01,  0.00)
173:     torsion (  0.581,   0.985,   0.459)  (  0.581,   0.985,   0.459)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 21.197, -22.786,   4.730)  ( 21.197, -22.785,   4.730)  ( 0.00,  0.00,  0.00)
173:     electro (  0.083,   0.673,   0.480)  (  0.083,   0.673,   0.480)  ( 0.00,  0.00,  0.00)
173: 55       ( 21.127,   4.033,  -4.874)  ( 21.130,   4.041,  -4.866)  ( 0.01,  0.21,  0.16)
173:     bond    (  0.015,  -0.237,  -0.235)  (  0.015,  -0.230,  -0.228)  ( 0.00,  0.17,  0.16)
173:     angle   ( 17.782,  11.471, -10.444)  ( 17.784,  11.472, -10.444)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.521,  -0.663,   0.636)  ( -0.521,  -0.663,   0.636)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.327,  -6.987,   3.715)  (  2.327,  -6.987,   3.715)  ( 0.01,  0.00,  0.00)
173:     electro (  1.525,   0.449,   1.454)  (  1.525,   0.449,   1.454)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zhs_td6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zht_td9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zhu_td8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zhv_tdw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zhx_fm6.sdf
173: 56       (  3.908,   1.796, -13.266)  (  3.911,   1.802, -13.254)  ( 0.08,  0.30,  0.09)
173:     bond    (  0.874,   8.800, -15.941)  (  0.874,   8.804, -15.930)  ( 0.01,  0.04,  0.07)
173:     angle   ( -5.575,  -7.591,  -4.500)  ( -5.572,  -7.589,  -4.500)  ( 0.04,  0.02,  0.01)
173:     torsion (  1.423,  -0.373,  -0.128)  (  1.423,  -0.373,  -0.128)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.032,   0.080,   6.647)  (  7.033,   0.080,   6.647)  ( 0.01,  0.00,  0.00)
173:     electro (  0.153,   0.879,   0.657)  (  0.153,   0.879,   0.657)  ( 0.00,  0.00,  0.00)
173: 57       ( -0.993,   9.172,   6.879)  ( -0.990,   9.180,   6.888)  ( 0.32,  0.09,  0.12)
173:     bond    ( -0.691,  10.301,  11.010)  ( -0.691,  10.308,  11.018)  ( 0.01,  0.06,  0.07)
173:     angle   (  1.902,  -2.517,   2.472)  (  1.905,  -2.516,   2.473)  ( 0.13,  0.04,  0.04)
173:     torsion ( -1.228,   1.073,  -1.081)  ( -1.228,   1.073,  -1.081)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.546,   0.031,  -5.692)  ( -0.545,   0.031,  -5.692)  ( 0.03,  0.00,  0.00)
173:     electro ( -0.430,   0.284,   0.170)  ( -0.430,   0.284,   0.170)  ( 0.00,  0.00,  0.00)
173: 58       ( -3.180, -10.598,   1.768)  ( -3.177, -10.591,   1.778)  ( 0.08,  0.07,  0.56)
173:     bond    ( -0.166,  -6.219,   7.992)  ( -0.166,  -6.213,   8.001)  ( 0.00,  0.09,  0.11)
173:     angle   ( -4.819,  -4.069,  -3.260)  ( -4.816,  -4.067,  -3.259)  ( 0.05,  0.04,  0.03)
173:     torsion (  1.374,  -1.374,  -1.038)  (  1.374,  -1.374,  -1.038)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.903,   1.531,  -0.692)  (  0.903,   1.531,  -0.692)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.471,  -0.467,  -1.234)  ( -0.471,  -0.467,  -1.234)  ( 0.00,  0.00,  0.00)
173: 59       ( -1.672,  -1.065, -14.649)  ( -1.669,  -1.057, -14.640)  ( 0.19,  0.73,  0.06)
173:     bond    (  1.255,  11.287, -12.325)  (  1.255,  11.294, -12.318)  ( 0.01,  0.06,  0.06)
173:     angle   ( -0.945,   0.841,   0.675)  ( -0.942,   0.842,   0.676)  ( 0.24,  0.09,  0.06)
173:     torsion (  2.095,  -1.868,  -1.500)  (  2.095,  -1.868,  -1.500)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.139, -11.853,  -2.429)  ( -4.138, -11.853,  -2.428)  ( 0.01,  0.00,  0.00)
173:     electro (  0.062,   0.529,   0.929)  (  0.062,   0.529,   0.929)  ( 0.00,  0.00,  0.00)
173: 60       (  4.180,   0.851,  15.801)  (  4.183,   0.856,  15.812)  ( 0.08,  0.44,  0.07)
173:     bond    (  1.295,   8.702,  15.115)  (  1.295,   8.705,  15.125)  ( 0.01,  0.04,  0.07)
173:     angle   ( 15.182,  -5.824,   2.050)  ( 15.184,  -5.823,   2.051)  ( 0.02,  0.03,  0.02)
173:     torsion ( -1.577,   2.708,  -1.424)  ( -1.577,   2.708,  -1.424)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.178,  -4.507,  -0.246)  (-10.177,  -4.507,  -0.246)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.543,  -0.228,   0.305)  ( -0.543,  -0.228,   0.305)  ( 0.00,  0.00,  0.00)
173: 61       ( -3.607, -11.430, -21.611)  ( -3.604, -11.416, -21.608)  ( 0.08,  0.11,  0.02)
173:     bond    (  0.549,  -8.292,   2.402)  (  0.549,  -8.280,   2.403)  ( 0.01,  0.16,  0.05)
173:     angle   ( -2.924,  -5.064, -16.780)  ( -2.921,  -5.064, -16.778)  ( 0.08,  0.00,  0.01)
173:     torsion ( -0.304,  -2.407,  -8.223)  ( -0.304,  -2.407,  -8.223)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.536,   3.527,   1.222)  ( -1.536,   3.527,   1.222)  ( 0.02,  0.00,  0.00)
173:     electro (  0.607,   0.806,  -0.231)  (  0.607,   0.806,  -0.231)  ( 0.00,  0.00,  0.00)
173: 62       (-13.552,   3.271,  -1.933)  (-13.548,   3.282,  -1.929)  ( 0.02,  0.35,  0.23)
173:     bond    ( -3.163,  10.307,  -4.939)  ( -3.162,  10.318,  -4.937)  ( 0.03,  0.10,  0.05)
173:     angle   ( -7.456,   1.314,   7.520)  ( -7.454,   1.314,   7.522)  ( 0.03,  0.04,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zhz_fm7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zi0_fm8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zi4_sfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zj6_vm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zj7_c1k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zj8_lr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zk5_z18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zk6_h1i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zkn_wzv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zkp_erb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zku_hcv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zky_wt4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zl2_bwg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zln_h0y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zlo_x8u.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (312.993, 491.095, -75.433)  (313.079, 491.177, -75.428)  ( 0.03,  0.02,  0.01)
174:     bond    (182.102, 361.399, -39.998)  (182.175, 361.465, -39.996)  ( 0.04,  0.02,  0.00)
174:     angle   (145.132, 114.986, -32.807)  (145.144, 115.001, -32.807)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.088,   1.470,  -3.367)  ( -0.088,   1.470,  -3.364)  ( 0.00,  0.01,  0.08)
174:     vdw     (-14.461,  14.403,   1.413)  (-14.460,  14.404,   1.413)  ( 0.00,  0.00,  0.00)
174:     electro (  0.308,  -1.163,  -0.673)  (  0.308,  -1.163,  -0.673)  ( 0.00,  0.00,  0.00)
174: 14       (-285.814, 354.520,  45.351)  (-285.728, 354.617,  45.355)  ( 0.03,  0.03,  0.01)
174:     bond    (-505.028, 338.173, -11.705)  (-504.956, 338.260, -11.704)  ( 0.01,  0.03,  0.01)
174:     angle   (220.011,  15.873,  61.540)  (220.025,  15.883,  61.539)  ( 0.01,  0.06,  0.00)
174:     torsion ( -1.857,  -2.686,  -4.718)  ( -1.857,  -2.686,  -4.715)  ( 0.00,  0.00,  0.07)
174:     vdw     (  1.060,   3.160,   0.234)  (  1.060,   3.160,   0.234)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       ( 24.507, -209.022, -22.911)  ( 24.604, -208.936, -22.906)  ( 0.39,  0.04,  0.02)
174:     bond    (156.762, -155.422, -28.130)  (156.846, -155.348, -28.128)  ( 0.05,  0.05,  0.01)
174:     angle   (-129.413, -58.792,  -1.964)  (-129.401, -58.781,  -1.965)  ( 0.01,  0.02,  0.02)
174:     torsion ( -1.764,  -0.172,   6.998)  ( -1.763,  -0.172,   7.001)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -1.078,   5.364,   0.186)  ( -1.078,   5.364,   0.186)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (-51.881, -107.783,  -4.907)  (-51.801, -107.693,  -4.901)  ( 0.16,  0.08,  0.12)
174:     bond    ( 22.023, -118.566, -16.321)  ( 22.092, -118.490, -16.319)  ( 0.31,  0.06,  0.01)
174:     angle   (-70.752,   8.239,   6.612)  (-70.740,   8.252,   6.613)  ( 0.02,  0.15,  0.00)
174:     torsion (  0.535,  -0.313,   3.768)  (  0.535,  -0.313,   3.771)  ( 0.00,  0.00,  0.08)
174:     vdw     ( -4.438,   2.873,   2.399)  ( -4.437,   2.873,   2.399)  ( 0.00,  0.01,  0.00)
174:     electro (  0.749,  -0.015,  -1.365)  (  0.749,  -0.015,  -1.365)  ( 0.00,  0.00,  0.00)
174: 17       (-18.930, 107.515,  14.333)  (-18.855, 107.610,  14.339)  ( 0.39,  0.09,  0.04)
174:     bond    (-22.609, 136.062,  16.568)  (-22.547, 136.145,  16.570)  ( 0.27,  0.06,  0.01)
174:     angle   ( 10.531, -26.073,  -5.363)  ( 10.544, -26.061,  -5.363)  ( 0.12,  0.05,  0.01)
174:     torsion (  0.544,  -0.373,   3.400)  (  0.544,  -0.373,   3.403)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -7.858,  -2.132,   0.339)  ( -7.858,  -2.132,   0.339)  ( 0.00,  0.00,  0.00)
174:     electro (  0.462,   0.030,  -0.611)  (  0.462,   0.030,  -0.611)  ( 0.00,  0.00,  0.00)
174: 18       (-65.774, -68.811,  -0.702)  (-65.676, -68.740,  -0.697)  ( 0.15,  0.10,  0.31)
174:     bond    (-91.259, -79.239,   0.226)  (-91.173, -79.180,   0.227)  ( 0.09,  0.07,  0.02)
174:     angle   ( 26.073,  13.883,  -0.908)  ( 26.086,  13.895,  -0.908)  ( 0.05,  0.09,  0.02)
174:     torsion (  0.013,  -0.002,   0.509)  (  0.013,  -0.002,   0.512)  ( 0.00,  0.00,  0.16)
174:     vdw     ( -0.640,  -4.484,  -0.380)  ( -0.640,  -4.484,  -0.380)  ( 0.00,  0.00,  0.00)
174:     electro (  0.039,   1.031,  -0.148)  (  0.039,   1.031,  -0.148)  ( 0.00,  0.00,  0.00)
174: 19       ( 85.150,  81.337,   1.290)  ( 85.231,  81.426,   1.294)  ( 0.10,  0.11,  0.30)
174:     bond    (131.843,  64.348,  -6.215)  (131.912,  64.425,  -6.214)  ( 0.05,  0.12,  0.01)
174:     angle   (-51.578,  20.309,   7.548)  (-51.566,  20.321,   7.548)  ( 0.02,  0.06,  0.00)
174:     torsion (  0.198,  -0.086,   0.969)  (  0.198,  -0.086,   0.972)  ( 0.00,  0.00,  0.30)
174:     vdw     (  5.356,  -3.308,  -0.917)  (  5.356,  -3.308,  -0.917)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.670,   0.074,  -0.094)  ( -0.670,   0.074,  -0.094)  ( 0.00,  0.00,  0.00)
174: 20       (-68.176,  83.937,  12.040)  (-68.102,  84.034,  12.046)  ( 0.11,  0.12,  0.05)
174:     bond    (-174.589, 125.582,  27.601)  (-174.527, 125.666,  27.603)  ( 0.04,  0.07,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zlq_6t9.sdf
173:     torsion ( -2.471,  -0.439,   0.665)  ( -2.471,  -0.439,   0.665)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.193,  -8.816,  -5.036)  ( -1.193,  -8.816,  -5.036)  ( 0.01,  0.00,  0.00)
173:     electro (  0.732,   0.904,  -0.144)  (  0.732,   0.904,  -0.144)  ( 0.00,  0.00,  0.00)
173: 63       ( -1.642,   0.072,   7.768)  ( -1.638,   0.075,   7.781)  ( 0.26,  0.02,  0.16)
173:     bond    (  3.501,   1.811,   9.381)  (  3.502,   1.811,   9.393)  ( 0.05,  0.03,  0.13)
173:     angle   (-11.516,   2.354,   3.839)  (-11.514,   2.356,   3.839)  ( 0.02,  0.09,  0.01)
173:     torsion (  1.522,   1.177,  -0.795)  (  1.522,   1.177,  -0.795)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.241,  -6.128,  -4.764)  (  3.241,  -6.128,  -4.764)  ( 0.01,  0.00,  0.00)
173:     electro (  1.610,   0.859,   0.107)  (  1.610,   0.859,   0.107)  ( 0.00,  0.00,  0.00)
173: 64       (  3.493,   9.960,   4.207)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     bond    (  0.723,   7.398,  -1.973)  (  0.723,   7.412,  -1.972)  ( 0.01,  0.19,  0.05)
173:     angle   ( -0.023,   0.127,   0.468)  ( -0.023,   0.127,   0.470)  ( 0.00,  0.00,  0.09)
173:     torsion (  1.495,  -0.118,   0.105)  (  1.495,  -0.118,   0.105)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     electro (  1.298,   2.553,   5.608)  (  1.298,   2.553,   5.608)  ( 0.00,  0.00,  0.00)
173: 65       (-32.705,   0.634,  27.276)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     bond    (-43.371,  -7.007,   0.973)  (-43.356,  -7.006,   0.974)  ( 0.03,  0.01,  0.02)
173:     angle   (  0.668,  -1.382,  19.777)  (  0.668,  -1.382,  19.779)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.829,   5.186,   0.390)  ( -0.829,   5.186,   0.390)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     electro ( 10.828,   3.837,   6.135)  ( 10.828,   3.837,   6.135)  ( 0.00,  0.00,  0.00)
173: ok 14 # gradients 
173: ok 15 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-26.341, 179.695,  84.974)  (-26.307, 179.722,  84.987)  ( 0.13,  0.02,  0.02)
173:     bond    (-80.184,  67.240,  27.668)  (-80.158,  67.259,  27.676)  ( 0.03,  0.03,  0.03)
173:     angle   ( 50.759, 104.743,  70.672)  ( 50.767, 104.749,  70.675)  ( 0.02,  0.01,  0.00)
173:     torsion (  2.429,   7.968, -13.505)  (  2.429,   7.969, -13.502)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.643,  -0.252,   0.142)  (  0.643,  -0.252,   0.142)  ( 0.00,  0.00,  0.00)
173:     electro (  0.012,  -0.003,  -0.004)  (  0.012,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
173:  2       (-221.600, -93.476, -82.982)  (-221.567, -93.449, -82.969)  ( 0.02,  0.03,  0.02)
173:     bond    (-162.222, -46.795, -64.231)  (-162.197, -46.775, -64.224)  ( 0.02,  0.04,  0.01)
173:     angle   (-55.886, -36.407, -31.703)  (-55.878, -36.401, -31.700)  ( 0.01,  0.02,  0.01)
173:     torsion ( -3.084,  -8.383,  14.257)  ( -3.084,  -8.381,  14.262)  ( 0.01,  0.02,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.426,  -1.691,  -1.215)  ( -0.426,  -1.691,  -1.215)  ( 0.00,  0.00,  0.00)
173:     electro (  0.018,  -0.201,  -0.091)  (  0.018,  -0.201,  -0.091)  ( 0.00,  0.00,  0.00)
173:  3       (733.756, -926.168, -450.739)  (733.785, -926.141, -450.725)  ( 0.00,  0.00,  0.00)
173:     bond    (715.451, -934.338, -440.862)  (715.477, -934.316, -440.850)  ( 0.00,  0.00,  0.00)
173:     angle   ( 16.605,  -5.824,  12.516)  ( 16.607,  -5.819,  12.517)  ( 0.02,  0.08,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zlr_x0b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zls_92p.sdf
173:     torsion (  4.699,  13.992, -22.724)  (  4.699,  13.993, -22.722)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.952,   0.158,   0.563)  ( -2.951,   0.158,   0.563)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.047,  -0.157,  -0.233)  ( -0.047,  -0.157,  -0.233)  ( 0.00,  0.00,  0.00)
173:  4       (-544.374, 1014.483, 533.741)  (-544.344, 1014.503, 533.751)  ( 0.01,  0.00,  0.00)
173:     bond    (-540.835, 1016.531, 533.608)  (-540.805, 1016.551, 533.618)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.021,  -0.029,  -0.009)  ( -0.021,  -0.029,  -0.009)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.023,  -3.191,   1.716)  ( -1.023,  -3.190,   1.716)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.669,   1.628,  -1.464)  ( -1.669,   1.628,  -1.463)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.826,  -0.456,  -0.110)  ( -0.826,  -0.456,  -0.110)  ( 0.00,  0.00,  0.00)
173:  5       (-93.744, -300.514, -176.809)  (-93.716, -300.491, -176.798)  ( 0.03,  0.01,  0.01)
173:     bond    (  6.436, -205.333, -129.111)  (  6.461, -205.313, -129.103)  ( 0.38,  0.01,  0.01)
173:     angle   (-90.395, -87.897, -67.119)  (-90.392, -87.894, -67.117)  ( 0.00,  0.00,  0.00)
173:     torsion ( -3.711, -12.855,  20.305)  ( -3.711, -12.855,  20.306)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.999,   3.743,  -2.154)  ( -4.999,   3.743,  -2.154)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.075,   1.829,   1.270)  ( -1.075,   1.828,   1.270)  ( 0.00,  0.00,  0.00)
173:  6       (488.052, -1161.301, 137.157)  (488.083, -1161.275, 137.161)  ( 0.01,  0.00,  0.00)
173:     bond    (484.183, -1164.859, 131.653)  (484.214, -1164.833, 131.657)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.022,   0.028,   0.008)  (  0.022,   0.028,   0.008)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.048,   3.836,   6.817)  (  1.048,   3.836,   6.818)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.975,  -0.747,  -1.547)  (  1.975,  -0.747,  -1.547)  ( 0.00,  0.01,  0.00)
173:     electro (  0.824,   0.441,   0.225)  (  0.824,   0.441,   0.225)  ( 0.00,  0.00,  0.00)
173:  7       (120.329, 342.533, -45.999)  (120.358, 342.564, -45.996)  ( 0.02,  0.01,  0.01)
173:     bond    (  8.785, 239.921, -25.604)  (  8.810, 239.948, -25.604)  ( 0.29,  0.01,  0.00)
173:     angle   (105.569, 108.819, -18.888)  (105.572, 108.823, -18.887)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.854,  -1.117,   0.334)  ( -0.854,  -1.116,   0.336)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.877,  -2.849,  -2.436)  (  5.877,  -2.848,  -2.436)  ( 0.00,  0.00,  0.00)
173:     electro (  0.952,  -2.242,   0.595)  (  0.952,  -2.242,   0.595)  ( 0.00,  0.00,  0.00)
173:  8       (  9.605, -199.227,  26.960)  (  9.640, -199.192,  26.965)  ( 0.37,  0.02,  0.02)
173:     bond    ( 76.676, -75.909,   3.494)  ( 76.703, -75.882,   3.494)  ( 0.04,  0.04,  0.00)
173:     angle   (-66.537, -124.364,  14.394)  (-66.528, -124.356,  14.394)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.153,   0.851,   8.951)  (  0.153,   0.851,   8.955)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.677,   0.189,   0.125)  ( -0.677,   0.189,   0.125)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.011,   0.005,  -0.004)  ( -0.011,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:  9       (234.083, 110.808,  -5.687)  (234.117, 110.843,  -5.681)  ( 0.01,  0.03,  0.09)
173:     bond    (168.822,  63.419, -12.849)  (168.848,  63.446, -12.850)  ( 0.02,  0.04,  0.00)
173:     angle   ( 64.031,  43.820,  -7.539)  ( 64.039,  43.829,  -7.540)  ( 0.01,  0.02,  0.00)
173:     torsion (  0.607,   1.401,  15.070)  (  0.607,   1.401,  15.076)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zlu_1ka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zlw_mt8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zlx_5ez.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zly_yso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zm4_22t.sdf
173:     vdw     (  0.642,   1.953,  -0.380)  (  0.642,   1.953,  -0.380)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.018,   0.214,   0.012)  ( -0.018,   0.214,   0.012)  ( 0.00,  0.00,  0.00)
173: 10       (-703.642, 1063.270, -121.206)  (-703.612, 1063.304, -121.199)  ( 0.00,  0.00,  0.01)
173:     bond    (-668.979, 1057.194, -118.164)  (-668.952, 1057.223, -118.160)  ( 0.00,  0.00,  0.00)
173:     angle   (-36.514,   9.643,  24.582)  (-36.512,   9.649,  24.582)  ( 0.01,  0.06,  0.00)
173:     torsion ( -0.835,  -3.339, -28.417)  ( -0.835,  -3.339, -28.415)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.621,  -0.462,   0.922)  (  2.621,  -0.462,   0.922)  ( 0.00,  0.00,  0.00)
173:     electro (  0.065,   0.232,  -0.128)  (  0.065,   0.232,  -0.128)  ( 0.00,  0.00,  0.00)
173: 11       (-92.037, -219.425,  15.503)  (-92.011, -219.395,  15.528)  ( 0.03,  0.01,  0.16)
173:     bond    (-44.807, -79.240,   7.516)  (-44.789, -79.219,   7.535)  ( 0.04,  0.03,  0.25)
173:     angle   (-49.035, -135.591,   4.959)  (-49.028, -135.582,   4.965)  ( 0.02,  0.01,  0.11)
173:     torsion (  0.089,   0.165,   2.005)  (  0.089,   0.165,   2.006)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.297,  -4.237,   1.078)  (  1.297,  -4.237,   1.078)  ( 0.01,  0.00,  0.00)
173:     electro (  0.420,  -0.522,  -0.056)  (  0.420,  -0.522,  -0.056)  ( 0.00,  0.00,  0.00)
173: 12       ( -8.510,  24.281,  -8.300)  ( -8.498,  24.288,  -8.299)  ( 0.14,  0.03,  0.01)
173:     bond    (  3.190,   1.811,  -0.170)  (  3.201,   1.815,  -0.170)  ( 0.35,  0.20,  0.00)
173:     angle   (-13.096,  23.042,  -0.548)  (-13.096,  23.044,  -0.548)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.096,  -0.535,  -7.539)  ( -0.096,  -0.535,  -7.538)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.157,   0.114,   0.005)  ( -0.157,   0.114,   0.005)  ( 0.00,  0.00,  0.00)
173:     electro (  1.650,  -0.151,  -0.048)  (  1.650,  -0.151,  -0.048)  ( 0.00,  0.00,  0.00)
173: 13       (-29.862, -44.197,   2.041)  (-29.853, -44.188,   2.043)  ( 0.03,  0.02,  0.08)
173:     bond    (  5.580,  -5.166,   0.418)  (  5.588,  -5.160,   0.418)  ( 0.14,  0.13,  0.00)
173:     angle   (-36.346, -38.897,   5.727)  (-36.345, -38.895,   5.727)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.092,  -0.424,  -4.005)  ( -0.092,  -0.424,  -4.003)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.083,   0.130,  -0.072)  (  1.083,   0.130,  -0.072)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.087,   0.160,  -0.027)  ( -0.087,   0.160,  -0.027)  ( 0.00,  0.00,  0.00)
173: 14       ( 94.864, 200.588, 114.433)  ( 94.890, 200.617, 114.459)  ( 0.03,  0.01,  0.02)
173:     bond    ( 41.007,  67.471,  46.997)  ( 41.024,  67.492,  47.016)  ( 0.04,  0.03,  0.04)
173:     angle   ( 56.551, 129.171,  64.070)  ( 56.559, 129.179,  64.077)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.117,  -0.306,   0.514)  ( -0.117,  -0.306,   0.514)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.106,   3.726,   2.744)  ( -2.106,   3.726,   2.744)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.472,   0.526,   0.108)  ( -0.472,   0.526,   0.108)  ( 0.00,  0.00,  0.00)
173: 15       ( 11.332, -23.890, -12.754)  ( 11.343, -23.885, -12.750)  ( 0.10,  0.02,  0.03)
173:     bond    ( -2.993,  -1.390,  -1.422)  ( -2.983,  -1.388,  -1.420)  ( 0.34,  0.16,  0.16)
173:     angle   ( 15.978, -21.946, -12.114)  ( 15.979, -21.944, -12.114)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.194,  -0.653,   1.044)  ( -0.194,  -0.652,   1.045)  ( 0.00,  0.02,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.155,  -0.116,  -0.022)  (  0.155,  -0.116,  -0.022)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.614,   0.215,  -0.241)  ( -1.614,   0.215,  -0.241)  ( 0.00,  0.00,  0.00)
173: 16       ( 26.763,  36.848,  27.200)  ( 26.773,  36.856,  27.202)  ( 0.04,  0.02,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zm9_qmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zme_qc5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zn0_fad.sdf
173:     bond    ( -5.931,   4.794,   1.716)  ( -5.922,   4.800,   1.717)  ( 0.14,  0.11,  0.04)
173:     angle   ( 33.396,  31.558,  26.977)  ( 33.398,  31.559,  26.977)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.258,   0.709,  -1.097)  (  0.258,   0.710,  -1.095)  ( 0.00,  0.03,  0.11)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.068,  -0.086,  -0.304)  ( -1.068,  -0.086,  -0.304)  ( 0.00,  0.00,  0.00)
173:     electro (  0.107,  -0.127,  -0.093)  (  0.107,  -0.127,  -0.093)  ( 0.00,  0.00,  0.00)
173: 17       ( 39.771, 101.216,  64.066)  ( 39.773, 101.229,  64.071)  ( 0.01,  0.01,  0.01)
173:     bond    (-11.976,  98.669,  56.715)  (-11.975,  98.681,  56.720)  ( 0.01,  0.01,  0.01)
173:     angle   ( 48.261,   1.230,   8.049)  ( 48.263,   1.230,   8.049)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.146,   0.573,  -0.966)  (  0.146,   0.573,  -0.965)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.339,   0.040,   0.283)  (  0.339,   0.040,   0.283)  ( 0.00,  0.00,  0.00)
173:     electro (  3.000,   0.705,  -0.016)  (  3.000,   0.705,  -0.016)  ( 0.00,  0.00,  0.00)
173: 18       (-53.140, -113.275,  31.092)  (-53.138, -113.259,  31.093)  ( 0.00,  0.01,  0.00)
173:     bond    (  4.991, -112.248,  19.822)  (  4.991, -112.231,  19.823)  ( 0.01,  0.01,  0.01)
173:     angle   (-55.366,  -1.628,   4.725)  (-55.364,  -1.628,   4.725)  ( 0.00,  0.00,  0.00)
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174:     vdw     ( 17.443,  -2.235, -30.948)  ( 17.444,  -2.235, -30.947)  ( 0.00,  0.00,  0.00)
174:     electro (  0.739,  -0.178,  -3.864)  (  0.739,  -0.178,  -3.864)  ( 0.00,  0.00,  0.00)
174: 31       ( 89.548, -195.391, 508.761)  ( 89.554, -195.371, 508.809)  ( 0.01,  0.01,  0.01)
174:     bond    (-48.172, -271.651, 450.146)  (-48.169, -271.632, 450.194)  ( 0.01,  0.01,  0.01)
174:     angle   (132.809,  73.117,  58.328)  (132.813,  73.118,  58.328)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.761,  -1.047,  -0.550)  (  0.761,  -1.047,  -0.550)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.864,   4.131,   0.125)  (  3.864,   4.131,   0.125)  ( 0.00,  0.00,  0.00)
174:     electro (  0.286,   0.059,   0.714)  (  0.286,   0.059,   0.714)  ( 0.00,  0.00,  0.00)
174: 32       (488.893, 102.091,  99.940)  (488.908, 102.091,  99.964)  ( 0.00,  0.00,  0.02)
174:     bond    (211.229,   6.631, 313.253)  (211.237,   6.629, 313.272)  ( 0.00,  0.02,  0.01)
174:     angle   ( 68.266,  79.408, -47.714)  ( 68.268,  79.410, -47.713)  ( 0.00,  0.00,  0.00)
174:     torsion ( -3.055,   4.182,   1.971)  ( -3.055,   4.182,   1.971)  ( 0.00,  0.00,  0.00)
174:     vdw     (212.452,  11.871, -167.570)  (212.458,  11.870, -167.567)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       ( 45.088, 208.770, -23.706)  ( 45.090, 208.818, -23.678)  ( 0.01,  0.02,  0.12)
174:     bond    ( 16.304, 200.345,  -7.007)  ( 16.306, 200.392,  -6.985)  ( 0.01,  0.02,  0.31)
174:     angle   ( 41.809,   0.611, -15.434)  ( 41.811,   0.613, -15.429)  ( 0.01,  0.10,  0.04)
174:     torsion (-15.671,   2.926,  -2.202)  (-15.672,   2.926,  -2.202)  ( 0.01,  0.00,  0.00)
174:     vdw     (  5.020,   3.888,   1.339)  (  5.021,   3.888,   1.339)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.375,   0.999,  -0.401)  ( -2.375,   0.999,  -0.401)  ( 0.00,  0.00,  0.00)
174: 34       (355.299,  31.343, -78.600)  (355.346,  31.349, -78.570)  ( 0.01,  0.02,  0.04)
174:     bond    (311.200,  51.966, -29.253)  (311.243,  51.969, -29.228)  ( 0.01,  0.01,  0.09)
174:     angle   ( 33.558,   7.472, -51.143)  ( 33.561,   7.474, -51.139)  ( 0.01,  0.03,  0.01)
174:     torsion (  6.518, -34.470,  -2.904)  (  6.518, -34.469,  -2.904)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.574,   5.965,   4.845)  (  1.574,   5.965,   4.845)  ( 0.01,  0.00,  0.00)
174:     electro (  2.450,   0.409,  -0.145)  (  2.450,   0.409,  -0.145)  ( 0.00,  0.00,  0.00)
174: 35       ( 13.120,  -4.680,  -3.985)  ( 13.149,  -4.674,  -3.983)  ( 0.22,  0.11,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zxt_acp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zxv_mxi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zxz_krw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zyf_147.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zyh_g0s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3zze_6xp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a06_a06.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a07_az7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a0h_kap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a0r_dtb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a16_h34.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a22_so4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a2j_as0.sdf
169: ok 999 # number of heavy atoms match
169: ok 1000 # number of heavy atoms match
169: ok 1001 # number of heavy atoms match
169: ok 1002 # number of heavy atoms match
169: ok 1003 # number of heavy atoms match
169: ok 1004 # number of heavy atoms match
169: ok 1005 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a4l_939.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a4o_664.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a4v_yfd.sdf
171/223 Test #169: test_cansmi_1 ....................   Passed    0.51 sec
test 175
        Start 175: test_ffmmff94_1
175: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "1"
175: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
175: Environment variables: 
175:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
175:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
175: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a4w_yfb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a4x_jup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a50_dq6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a51_dq8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a55_p08.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a5s_n7f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a5y_g7x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a6e_ase.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a6k_i4d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a6l_p43.sdf
175: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a6s_gs9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a6v_iky.sdf
174:     bond    ( 16.867,  -0.230,  -1.803)  ( 16.896,  -0.230,  -1.803)  ( 0.17,  0.00,  0.02)
174:     angle   ( -0.250,  -5.004,  -1.704)  ( -0.250,  -4.999,  -1.703)  ( 0.00,  0.10,  0.03)
174:     torsion ( -0.098,   0.340,  -0.959)  ( -0.098,   0.340,  -0.958)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -2.257,   0.053,   0.249)  ( -2.257,   0.053,   0.249)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.143,   0.162,   0.231)  ( -1.143,   0.162,   0.231)  ( 0.00,  0.00,  0.00)
174: 36       (  0.006, -15.359,  -3.544)  (  0.016, -15.338,  -3.540)  ( 0.01,  0.14,  0.10)
174:     bond    (  7.720, -14.222,  -5.441)  (  7.726, -14.202,  -5.438)  ( 0.08,  0.14,  0.06)
174:     angle   ( -6.523,  -3.314,  -0.610)  ( -6.519,  -3.312,  -0.610)  ( 0.07,  0.03,  0.00)
174:     torsion (  0.113,  -0.467,   1.379)  (  0.113,  -0.467,   1.380)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -1.472,   1.894,   0.739)  ( -1.472,   1.894,   0.739)  ( 0.01,  0.00,  0.00)
174:     electro (  0.168,   0.749,   0.389)  (  0.168,   0.749,   0.389)  ( 0.00,  0.00,  0.00)
174: 37       ( -1.645, -23.765, -11.107)  ( -1.633, -23.744, -11.104)  ( 0.76,  0.09,  0.02)
174:     bond    ( -8.146, -13.043,  -3.758)  ( -8.138, -13.023,  -3.756)  ( 0.09,  0.15,  0.05)
174:     angle   ( 22.101, -12.124,  -5.860)  ( 22.105, -12.123,  -5.860)  ( 0.02,  0.01,  0.01)
174:     torsion (  0.229,  -0.865,   2.502)  (  0.229,  -0.865,   2.503)  ( 0.00,  0.01,  0.03)
174:     vdw     (-17.378,   2.284,  -4.976)  (-17.377,   2.284,  -4.976)  ( 0.00,  0.01,  0.00)
174:     electro (  1.549,  -0.016,   0.985)  (  1.549,  -0.016,   0.985)  ( 0.00,  0.00,  0.00)
174: 38       (  8.408,  13.534,   1.843)  (  8.418,  13.556,   1.846)  ( 0.13,  0.16,  0.20)
174:     bond    ( -4.650,   8.801,   3.291)  ( -4.644,   8.822,   3.294)  ( 0.12,  0.23,  0.09)
174:     angle   ( 17.462,   8.623,   1.530)  ( 17.466,   8.624,   1.530)  ( 0.03,  0.01,  0.00)
174:     torsion ( -0.168,   0.870,  -2.570)  ( -0.168,   0.870,  -2.569)  ( 0.00,  0.01,  0.03)
174:     vdw     ( -3.024,  -4.212,  -0.222)  ( -3.024,  -4.212,  -0.222)  ( 0.01,  0.00,  0.00)
174:     electro ( -1.211,  -0.549,  -0.187)  ( -1.211,  -0.549,  -0.187)  ( 0.00,  0.00,  0.00)
174: 39       ( 10.765,   9.918,  -1.617)  ( 10.778,   9.939,  -1.615)  ( 0.12,  0.21,  0.15)
174:     bond    (  8.882,  13.515,   3.463)  (  8.890,  13.534,   3.465)  ( 0.09,  0.14,  0.04)
174:     angle   (  3.987,  -2.305,  -1.242)  (  3.991,  -2.304,  -1.242)  ( 0.10,  0.06,  0.03)
174:     torsion ( -0.368,   1.081,  -3.282)  ( -0.368,   1.082,  -3.282)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -1.312,  -1.866,  -0.453)  ( -1.312,  -1.866,  -0.453)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.425,  -0.508,  -0.102)  ( -0.425,  -0.508,  -0.102)  ( 0.00,  0.00,  0.00)
174: 40       (-19.395, 112.685, -25.588)  (-19.386, 112.700, -25.575)  ( 0.05,  0.01,  0.05)
174:     bond    (-28.621,  47.221,  42.215)  (-28.616,  47.235,  42.226)  ( 0.02,  0.03,  0.03)
174:     angle   ( -8.824,   0.753,  -6.820)  ( -8.821,   0.753,  -6.820)  ( 0.04,  0.03,  0.01)
174:     torsion ( 17.980,  42.007, -34.806)  ( 17.980,  42.007, -34.805)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.332,  20.683, -26.047)  ( -2.331,  20.683, -26.047)  ( 0.02,  0.00,  0.00)
174:     electro (  2.402,   2.022,  -0.130)  (  2.402,   2.022,  -0.130)  ( 0.00,  0.00,  0.00)
174: 41       (-69.377, -53.313,  26.652)  (-69.353, -53.296,  26.653)  ( 0.03,  0.03,  0.00)
174:     bond    ( 32.496, -18.726,   5.332)  ( 32.517, -18.719,   5.332)  ( 0.07,  0.04,  0.01)
174:     angle   (-53.205, -90.112,   8.124)  (-53.204, -90.108,   8.124)  ( 0.00,  0.01,  0.00)
174:     torsion (  1.029,  -1.765, -12.473)  (  1.029,  -1.765, -12.473)  ( 0.00,  0.00,  0.01)
174:     vdw     (-49.387,  55.775,  24.800)  (-49.386,  55.780,  24.800)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.309,   1.516,   0.870)  ( -0.309,   1.516,   0.870)  ( 0.00,  0.00,  0.00)
174: 42       ( 19.714,  21.792,  18.497)  ( 19.735,  21.805,  18.499)  ( 0.11,  0.06,  0.01)
174:     bond    (-10.363,   6.911,   2.336)  (-10.343,   6.920,   2.337)  ( 0.19,  0.12,  0.04)
174:     angle   ( 26.400,  39.285,   0.517)  ( 26.401,  39.289,   0.517)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a6w_5c1.sdf
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.121,  -2.368,   1.004)  (  0.121,  -2.368,   1.004)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.061,   0.637,  -0.033)  ( -0.061,   0.637,  -0.033)  ( 0.00,  0.00,  0.00)
173: 23       ( 33.513,  33.559,  34.875)  ( 33.516,  33.564,  34.886)  ( 0.01,  0.01,  0.03)
173:     bond    (  9.700,  21.267,  45.550)  (  9.701,  21.270,  45.562)  ( 0.01,  0.01,  0.02)
173:     angle   ( 24.199,  11.941, -10.729)  ( 24.201,  11.943, -10.728)  ( 0.01,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.403,  -0.036,  -0.098)  ( -0.403,  -0.036,  -0.098)  ( 0.00,  0.00,  0.00)
173:     electro (  0.017,   0.387,   0.151)  (  0.017,   0.387,   0.151)  ( 0.00,  0.00,  0.00)
173: 24       ( 40.893,  68.265, -38.893)  ( 40.898,  68.273, -38.888)  ( 0.01,  0.01,  0.01)
173:     bond    (-23.294,  33.180, -26.795)  (-23.290,  33.187, -26.791)  ( 0.01,  0.02,  0.02)
173:     angle   ( 65.430,  35.828, -12.500)  ( 65.432,  35.829, -12.499)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.012,  -1.043,   0.412)  ( -1.012,  -1.043,   0.412)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.231,   0.300,  -0.010)  ( -0.231,   0.300,  -0.010)  ( 0.00,  0.00,  0.00)
173: ok 16 # gradients 
173: ok 17 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (280.385,  79.113, -45.579)  (280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764,  65.096, -61.045)  (269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,   0.172,  -0.097)  ( -0.379,   0.180,  -0.092)  ( 0.28,  0.15,  0.05)
173:     torsion ( -0.078,   0.077,   0.128)  ( -0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087,  13.768,  15.435)  ( 11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.039, 251.973, -153.609)  ( -0.000, 252.014, -153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, 231.339, -164.452)  (  0.000, 231.370, -164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,   0.062,  -0.251)  ( -0.000,   0.070,  -0.248)  ( 0.01,  0.05,  0.09)
173:     torsion ( -0.001,  -0.029,  -0.095)  ( -0.000,  -0.028,  -0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001,  20.601,  11.189)  (  0.000,  20.601,  11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.039, -252.054, -153.609)  (  0.000, -252.014, -153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, -231.402, -164.452)  (  0.000, -231.370, -164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,  -0.078,  -0.251)  ( -0.000,  -0.070,  -0.248)  ( 0.01,  0.06,  0.09)
173:     torsion ( -0.001,   0.027,  -0.095)  (  0.000,   0.028,  -0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001, -20.602,  11.189)  (  0.000, -20.601,  11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       (280.385, -79.182, -45.579)  (280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764, -65.145, -61.045)  (269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,  -0.189,  -0.097)  ( -0.379,  -0.180,  -0.092)  ( 0.28,  0.16,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7b_3w4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7b_3w5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7c_e46.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7g_12i.sdf
173:     torsion ( -0.078,  -0.079,   0.128)  ( -0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087, -13.769,  15.435)  ( 11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-127.758, 175.179, -201.805)  (-127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, 167.839, -204.493)  (-105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,   0.417,   0.081)  ( -0.030,   0.425,   0.086)  ( 0.03,  0.36,  0.04)
173:     torsion (  0.072,   0.059,  -0.086)  (  0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,   6.864,   2.694)  (-22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  6       (-127.758, -175.256, -201.805)  (-127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, -167.895, -204.493)  (-105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,  -0.434,   0.081)  ( -0.030,  -0.425,   0.086)  ( 0.03,  0.38,  0.04)
173:     torsion (  0.072,  -0.062,  -0.086)  (  0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,  -6.865,   2.694)  (-22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  7       (-280.461,  79.113, -45.579)  (-280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822,  65.096, -61.045)  (-269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,   0.172,  -0.097)  (  0.379,   0.180,  -0.092)  ( 0.27,  0.15,  0.05)
173:     torsion (  0.076,   0.077,   0.128)  (  0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087,  13.768,  15.435)  (-11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       (-280.461, -79.182, -45.579)  (-280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822, -65.145, -61.045)  (-269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,  -0.189,  -0.097)  (  0.379,  -0.180,  -0.092)  ( 0.27,  0.16,  0.05)
173:     torsion (  0.076,  -0.079,   0.128)  (  0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087, -13.769,  15.435)  (-11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (175.179, 201.756, 127.701)  (175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, 204.461, 105.488)  (167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,  -0.092,   0.023)  (  0.425,  -0.086,   0.030)  ( 0.36,  0.05,  0.02)
173:     torsion (  0.059,   0.081,  -0.075)  (  0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,  -2.694,  22.265)  (  6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 10       ( 45.542, 280.385,  79.113)  ( 45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, 269.764,  65.096)  ( 61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,  -0.386,   0.172)  (  0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
173:     torsion ( -0.134,  -0.078,   0.077)  ( -0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435,  11.087,  13.768)  (-15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7i_a7i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7q_4mq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7t_5fw.sdf
174:     torsion ( -1.585,   1.240, -10.682)  ( -1.584,   1.240, -10.682)  ( 0.00,  0.00,  0.01)
174:     vdw     (  5.474, -26.880,  23.842)  (  5.474, -26.879,  23.843)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.212,   1.236,   2.483)  ( -0.212,   1.236,   2.483)  ( 0.00,  0.00,  0.00)
174: 43       (  9.715,   8.359,   2.930)  (  9.740,   8.368,   2.931)  ( 0.26,  0.11,  0.03)
174:     bond    ( 14.301,   6.147,  -0.831)  ( 14.325,   6.152,  -0.830)  ( 0.17,  0.07,  0.01)
174:     angle   ( -1.761,   4.174,   0.598)  ( -1.760,   4.179,   0.598)  ( 0.05,  0.11,  0.01)
174:     torsion (  0.282,  -0.288,   2.724)  (  0.282,  -0.288,   2.725)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -2.337,  -1.262,  -0.140)  ( -2.337,  -1.262,  -0.140)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.770,  -0.413,   0.578)  ( -0.770,  -0.413,   0.578)  ( 0.00,  0.00,  0.00)
174: 44       ( -8.045,   9.666,   3.235)  ( -8.039,   9.694,   3.236)  ( 0.08,  0.29,  0.03)
174:     bond    (  1.544,  12.383,   1.114)  (  1.545,  12.412,   1.114)  ( 0.03,  0.23,  0.03)
174:     angle   ( -9.291,   1.062,   1.043)  ( -9.286,   1.062,   1.043)  ( 0.06,  0.01,  0.00)
174:     torsion (  0.121,  -0.133,   1.312)  (  0.121,  -0.133,   1.313)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -0.297,  -2.246,  -0.246)  ( -0.297,  -2.246,  -0.246)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.122,  -1.401,   0.012)  ( -0.122,  -1.401,   0.012)  ( 0.00,  0.00,  0.00)
174: 45       (-20.489,  -1.793,  -0.197)  (-20.468,  -1.779,  -0.196)  ( 0.10,  0.77,  0.02)
174:     bond    (-15.530,  11.287,   2.391)  (-15.511,  11.296,   2.392)  ( 0.12,  0.09,  0.02)
174:     angle   ( -7.148,  -9.776,  -0.187)  ( -7.146,  -9.773,  -0.187)  ( 0.03,  0.04,  0.00)
174:     torsion ( -0.198,   0.179,  -2.132)  ( -0.198,   0.179,  -2.132)  ( 0.00,  0.00,  0.04)
174:     vdw     (  1.583,  -2.939,  -0.285)  (  1.583,  -2.939,  -0.285)  ( 0.00,  0.01,  0.00)
174:     electro (  0.804,  -0.544,   0.016)  (  0.804,  -0.544,   0.016)  ( 0.00,  0.00,  0.00)
174: 46       (-46.238, -62.524, -18.907)  (-46.212, -62.511, -18.906)  ( 0.06,  0.02,  0.01)
174:     bond    (-11.826,  -4.182,   1.104)  (-11.800,  -4.179,   1.104)  ( 0.22,  0.08,  0.03)
174:     angle   (-21.089,  61.421,   7.120)  (-21.088,  61.427,   7.120)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.097,   0.023,  -0.953)  ( -0.097,   0.023,  -0.953)  ( 0.00,  0.00,  0.07)
174:     vdw     (-12.557, -119.814, -26.018)  (-12.557, -119.810, -26.019)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.669,   0.028,  -0.158)  ( -0.669,   0.028,  -0.158)  ( 0.00,  0.00,  0.00)
174: 47       ( -5.094,   7.629,  -4.637)  ( -5.086,   7.633,  -4.614)  ( 0.15,  0.05,  0.49)
174:     bond    (  0.337,   0.107,   0.688)  (  0.343,   0.108,   0.710)  ( 0.17,  0.01,  1.52)
174:     angle   ( -5.784,   5.773,   1.912)  ( -5.782,   5.776,   1.912)  ( 0.04,  0.05,  0.03)
174:     torsion (  1.105,   8.313,  -1.798)  (  1.105,   8.313,  -1.798)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.752,  -6.565,  -5.438)  ( -0.752,  -6.564,  -5.438)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 48       (-12.714, -49.529,  -2.800)  (-12.692, -49.520,  -2.796)  ( 0.18,  0.02,  0.15)
174:     bond    (-45.403, -22.360,  -5.878)  (-45.381, -22.354,  -5.878)  ( 0.05,  0.02,  0.00)
174:     angle   ( 25.355, -52.296,   3.108)  ( 25.356, -52.292,   3.112)  ( 0.00,  0.01,  0.12)
174:     torsion (  2.076,  -5.961,   6.639)  (  2.076,  -5.961,   6.639)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.257,  31.087,  -6.670)  (  5.257,  31.088,  -6.669)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 49       ( 29.104, -15.468,  26.637)  ( 29.109, -15.464,  26.663)  ( 0.02,  0.02,  0.10)
174:     bond    (  8.691,  -1.170,  31.882)  (  8.693,  -1.171,  31.908)  ( 0.02,  0.01,  0.08)
174:     angle   ( 17.852, -22.195,  -5.679)  ( 17.856, -22.191,  -5.679)  ( 0.02,  0.02,  0.00)
174:     torsion (  3.717,   7.207,  -0.748)  (  3.717,   7.207,  -0.748)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.156,   0.690,   1.183)  ( -1.156,   0.690,   1.183)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7y_nhf.sdf
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 11       ( 45.542, -280.461,  79.113)  ( 45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, -269.822,  65.096)  ( 61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,   0.372,   0.172)  (  0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
173:     torsion ( -0.134,   0.076,   0.077)  ( -0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435, -11.087,  13.768)  (-15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 12       (175.179, -201.805, 127.701)  (175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, -204.493, 105.488)  (167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,   0.081,   0.023)  (  0.425,   0.086,   0.030)  ( 0.36,  0.04,  0.02)
173:     torsion (  0.059,  -0.086,  -0.075)  (  0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,   2.694,  22.265)  (  6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       (201.756, -127.758, -175.256)  (201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, -105.528, -167.895)  (204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,  -0.037,  -0.434)  ( -0.086,  -0.030,  -0.425)  ( 0.05,  0.03,  0.38)
173:     torsion (  0.081,   0.072,  -0.062)  (  0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694, -22.266,  -6.865)  ( -2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 14       (-79.182,  45.542, -280.461)  (-79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145,  61.024, -269.822)  (-65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,   0.087,   0.372)  ( -0.180,   0.092,   0.379)  ( 0.16,  0.05,  0.27)
173:     torsion ( -0.079,  -0.134,   0.076)  ( -0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769, -15.435, -11.087)  (-13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 15       (201.756, -127.758, 175.179)  (201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, -105.528, 167.839)  (204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,  -0.037,   0.417)  ( -0.086,  -0.030,   0.425)  ( 0.05,  0.03,  0.36)
173:     torsion (  0.081,   0.072,   0.059)  (  0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694, -22.266,   6.864)  ( -2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 16       (-252.054, 153.584,  -0.039)  (-252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (-231.402, 164.441,  -0.027)  (-231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   ( -0.078,   0.245,  -0.010)  ( -0.070,   0.248,   0.000)  ( 0.06,  0.08,  0.01)
173:     torsion (  0.027,   0.087,  -0.001)  (  0.028,   0.091,  -0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.602, -11.189,  -0.001)  (-20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 17       (127.701, -175.256, -201.805)  (127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a7z_ay9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a81_dxc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a8g_dmx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a8h_puw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a8v_2an.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a92_f9k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a97_zpc.sdf
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173:     angle   (  0.023,  -0.434,   0.081)  (  0.030,  -0.425,   0.086)  ( 0.02,  0.38,  0.04)
173:     torsion ( -0.075,  -0.062,  -0.086)  ( -0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,  -6.865,   2.694)  ( 22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 18       (-175.256, 201.756, 127.701)  (-175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, 204.461, 105.488)  (-167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,  -0.092,   0.023)  ( -0.425,  -0.086,   0.030)  ( 0.38,  0.05,  0.02)
173:     torsion ( -0.062,   0.081,  -0.075)  ( -0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,  -2.694,  22.265)  ( -6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 19       (-79.182,  45.542, 280.385)  (-79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145,  61.024, 269.764)  (-65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,   0.087,  -0.386)  ( -0.180,   0.092,  -0.379)  ( 0.16,  0.05,  0.28)
173:     torsion ( -0.079,  -0.134,  -0.078)  ( -0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769, -15.435,  11.087)  (-13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       ( 79.113,  45.542, -280.461)  ( 79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096,  61.024, -269.822)  ( 65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,   0.087,   0.372)  (  0.180,   0.092,   0.379)  ( 0.15,  0.05,  0.27)
173:     torsion (  0.077,  -0.134,   0.076)  (  0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768, -15.435, -11.087)  ( 13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       (127.701, 175.179, -201.805)  (127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (105.488, 167.839, -204.493)  (105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
173:     angle   (  0.023,   0.417,   0.081)  (  0.030,   0.425,   0.086)  ( 0.02,  0.36,  0.04)
173:     torsion ( -0.075,   0.059,  -0.086)  ( -0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,   6.864,   2.694)  ( 22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       (153.584,  -0.039, 251.973)  (153.597,   0.000, 252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (164.441,  -0.027, 231.339)  (164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
173:     angle   (  0.245,  -0.010,   0.062)  (  0.248,  -0.000,   0.070)  ( 0.08,  0.01,  0.05)
173:     torsion (  0.087,  -0.001,  -0.029)  (  0.091,   0.000,  -0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.189,  -0.001,  20.601)  (-11.189,   0.000,  20.601)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       (201.756, 127.701, -175.256)  (201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, 105.488, -167.895)  (204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,   0.023,  -0.434)  ( -0.086,   0.030,  -0.425)  ( 0.05,  0.02,  0.38)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9h_tvp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9i_p9i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9k_tyl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9m_p9m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9n_a9n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9o_a9o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9r_ru5.sdf
173:     torsion (  0.081,  -0.075,  -0.062)  (  0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694,  22.265,  -6.865)  ( -2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       (-45.579, -280.461,  79.113)  (-45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, -269.822,  65.096)  (-61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,   0.372,   0.172)  ( -0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
173:     torsion (  0.128,   0.076,   0.077)  (  0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435, -11.087,  13.768)  ( 15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       (-79.182, -45.579, -280.461)  (-79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145, -61.045, -269.822)  (-65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,  -0.097,   0.372)  ( -0.180,  -0.092,   0.379)  ( 0.16,  0.05,  0.27)
173:     torsion ( -0.079,   0.128,   0.076)  ( -0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769,  15.435, -11.087)  (-13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       (-175.256, -201.805, 127.701)  (-175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, -204.493, 105.488)  (-167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,   0.081,   0.023)  ( -0.425,   0.086,   0.030)  ( 0.38,  0.04,  0.02)
173:     torsion ( -0.062,  -0.086,  -0.075)  ( -0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,   2.694,  22.265)  ( -6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       (201.756, 127.701, 175.179)  (201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, 105.488, 167.839)  (204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,   0.023,   0.417)  ( -0.086,   0.030,   0.425)  ( 0.05,  0.02,  0.36)
173:     torsion (  0.081,  -0.075,   0.059)  (  0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694,  22.265,   6.864)  ( -2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       (-252.054, -153.609,  -0.039)  (-252.014, -153.597,   0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (-231.402, -164.452,  -0.027)  (-231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   ( -0.078,  -0.251,  -0.010)  ( -0.070,  -0.248,   0.000)  ( 0.06,  0.09,  0.01)
173:     torsion (  0.027,  -0.095,  -0.001)  (  0.028,  -0.091,   0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.602,  11.189,  -0.001)  (-20.601,  11.189,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 29       ( 79.113, -45.579, -280.461)  ( 79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096, -61.045, -269.822)  ( 65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,  -0.097,   0.372)  (  0.180,  -0.092,   0.379)  ( 0.15,  0.05,  0.27)
173:     torsion (  0.077,   0.128,   0.076)  (  0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768,  15.435, -11.087)  ( 13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
174: 50       ( 17.226,  18.672,  -6.621)  ( 17.231,  18.698,  -6.616)  ( 0.03,  0.14,  0.08)
174:     bond    ( -2.772,  16.961,  -4.316)  ( -2.771,  16.986,  -4.315)  ( 0.02,  0.15,  0.04)
174:     angle   ( 54.172,   5.135, -14.584)  ( 54.176,   5.135, -14.580)  ( 0.01,  0.01,  0.02)
174:     torsion ( -5.480,  -2.138,  -4.896)  ( -5.480,  -2.138,  -4.896)  ( 0.00,  0.00,  0.00)
174:     vdw     (-28.694,  -1.286,  17.174)  (-28.693,  -1.286,  17.174)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       (-33.794,  24.274, -40.682)  (-33.779,  24.281, -40.666)  ( 0.04,  0.03,  0.04)
174:     bond    ( 30.352, -12.598, -34.901)  ( 30.363, -12.597, -34.887)  ( 0.04,  0.01,  0.04)
174:     angle   (  7.193, -51.789,  24.959)  (  7.196, -51.786,  24.961)  ( 0.03,  0.01,  0.01)
174:     torsion (  2.155,  -1.693,   2.487)  (  2.155,  -1.693,   2.487)  ( 0.00,  0.00,  0.00)
174:     vdw     (-73.494,  90.354, -33.227)  (-73.493,  90.357, -33.227)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (-24.612,   5.524,  -7.324)  (-24.604,   5.545,  -7.317)  ( 0.03,  0.39,  0.09)
174:     bond    ( -6.378,  13.625,  -4.792)  ( -6.374,  13.645,  -4.789)  ( 0.07,  0.15,  0.05)
174:     angle   (-44.477, -15.621,  14.682)  (-44.474, -15.620,  14.686)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.169,  -0.561,  -1.823)  (  0.169,  -0.560,  -1.822)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 26.075,   8.080, -15.392)  ( 26.075,   8.080, -15.392)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       ( -3.184,  -0.113,  25.824)  ( -3.174,  -0.108,  25.845)  ( 0.33,  0.06,  0.08)
174:     bond    ( 16.833,   6.637,  27.999)  ( 16.840,   6.638,  28.018)  ( 0.04,  0.01,  0.07)
174:     angle   (  4.218, -41.377,   7.264)  (  4.221, -41.373,   7.265)  ( 0.07,  0.01,  0.02)
174:     torsion ( -0.788,   0.868,   0.268)  ( -0.788,   0.868,   0.268)  ( 0.01,  0.01,  0.00)
174:     vdw     (-23.447,  33.759,  -9.706)  (-23.447,  33.760,  -9.706)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 54       ( 81.847, -35.310,  -1.568)  ( 81.851, -35.301,  -1.545)  ( 0.01,  0.03,  1.51)
174:     bond    (  1.892,  19.246, -43.726)  (  1.892,  19.250, -43.702)  ( 0.01,  0.02,  0.05)
174:     angle   (  2.957,  31.634,  14.063)  (  2.960,  31.638,  14.064)  ( 0.10,  0.01,  0.00)
174:     torsion (  1.196,   2.026,   0.944)  (  1.196,   2.026,   0.944)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 75.802, -88.217,  27.149)  ( 75.804, -88.215,  27.149)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       ( 40.739,  13.177,  25.000)  ( 40.743,  13.194,  25.016)  ( 0.01,  0.13,  0.06)
174:     bond    ( -1.726,  27.095,  26.826)  ( -1.726,  27.109,  26.840)  ( 0.01,  0.05,  0.05)
174:     angle   ( 22.711,  16.443, -15.151)  ( 22.714,  16.445, -15.149)  ( 0.01,  0.01,  0.01)
174:     torsion ( -1.073,  -1.363,   1.308)  ( -1.073,  -1.363,   1.308)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 20.827, -28.997,  12.017)  ( 20.828, -28.996,  12.017)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       ( 27.462,  23.808,  27.353)  ( 27.466,  23.818,  27.375)  ( 0.02,  0.04,  0.08)
174:     bond    ( -0.412,  -4.156,   7.487)  ( -0.412,  -4.149,   7.508)  ( 0.00,  0.16,  0.28)
174:     angle   ( -6.861,   6.239,   3.072)  ( -6.858,   6.242,   3.073)  ( 0.04,  0.04,  0.03)
174:     torsion (  3.628,  -1.846,  -0.821)  (  3.628,  -1.846,  -0.821)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 31.106,  23.571,  17.615)  ( 31.107,  23.572,  17.615)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 57       (  5.898,   8.179, -34.688)  (  5.902,   8.194, -34.671)  ( 0.07,  0.18,  0.05)
174:     bond    (  0.673, -10.054, -10.747)  (  0.673, -10.041, -10.733)  ( 0.00,  0.13,  0.14)
174:     angle   (  2.789,   9.500,  -8.716)  (  2.792,   9.501,  -8.714)  ( 0.10,  0.02,  0.02)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       (251.973, 153.584,  -0.039)  (252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (231.339, 164.441,  -0.027)  (231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   (  0.062,   0.245,  -0.010)  (  0.070,   0.248,   0.000)  ( 0.05,  0.08,  0.01)
173:     torsion ( -0.029,   0.087,  -0.001)  ( -0.028,   0.091,   0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 20.601, -11.189,  -0.001)  ( 20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       (153.584,  -0.039, -252.054)  (153.597,  -0.000, -252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (164.441,  -0.027, -231.402)  (164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
173:     angle   (  0.245,  -0.010,  -0.078)  (  0.248,   0.000,  -0.070)  ( 0.08,  0.01,  0.06)
173:     torsion (  0.087,  -0.001,   0.027)  (  0.091,  -0.000,   0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.189,  -0.001, -20.602)  (-11.189,  -0.000, -20.601)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       (-45.579, 280.385,  79.113)  (-45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, 269.764,  65.096)  (-61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,  -0.386,   0.172)  ( -0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
173:     torsion (  0.128,  -0.078,   0.077)  (  0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435,  11.087,  13.768)  ( 15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       (-79.182, -45.579, 280.385)  (-79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145, -61.045, 269.764)  (-65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,  -0.097,  -0.386)  ( -0.180,  -0.092,  -0.379)  ( 0.16,  0.05,  0.28)
173:     torsion ( -0.079,   0.128,  -0.078)  ( -0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769,  15.435,  11.087)  (-13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 34       (251.973, -153.609,  -0.039)  (252.014, -153.597,  -0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (231.339, -164.452,  -0.027)  (231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   (  0.062,  -0.251,  -0.010)  (  0.070,  -0.248,   0.000)  ( 0.05,  0.09,  0.01)
173:     torsion ( -0.029,  -0.095,  -0.001)  ( -0.028,  -0.091,  -0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 20.601,  11.189,  -0.001)  ( 20.601,  11.189,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 35       (-201.805, 127.701, -175.256)  (-201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (-204.493, 105.488, -167.895)  (-204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,   0.023,  -0.434)  (  0.086,   0.030,  -0.425)  ( 0.04,  0.02,  0.38)
173:     torsion ( -0.086,  -0.075,  -0.062)  ( -0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694,  22.265,  -6.865)  (  2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 36       (-201.805, 127.701, 175.179)  (-201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
175: ok 1 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : 
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
175:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
175:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
175:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
175:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
175:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
175:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
175:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
175:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
175:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
175:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
175:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
175:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
175:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
175:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
175:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
175:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
175:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
175:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
175:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
175:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
175:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
175:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
175:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
175:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
175:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9s_ru9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9t_a9t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4a9u_a9u.sdf
173:     bond    (-204.493, 105.488, 167.839)  (-204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,   0.023,   0.417)  (  0.086,   0.030,   0.425)  ( 0.04,  0.02,  0.36)
173:     torsion ( -0.086,  -0.075,   0.059)  ( -0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694,  22.265,   6.864)  (  2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 37       (-153.609,  -0.039, 251.973)  (-153.597,  -0.000, 252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (-164.452,  -0.027, 231.339)  (-164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
173:     angle   ( -0.251,  -0.010,   0.062)  ( -0.248,   0.000,   0.070)  ( 0.09,  0.01,  0.05)
173:     torsion ( -0.095,  -0.001,  -0.029)  ( -0.091,  -0.000,  -0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.189,  -0.001,  20.601)  ( 11.189,  -0.000,  20.601)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 38       (-201.805, -127.758, -175.256)  (-201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (-204.493, -105.528, -167.895)  (-204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,  -0.037,  -0.434)  (  0.086,  -0.030,  -0.425)  ( 0.04,  0.03,  0.38)
173:     torsion ( -0.086,   0.072,  -0.062)  ( -0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694, -22.266,  -6.865)  (  2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 39       (-201.805, -127.758, 175.179)  (-201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (-204.493, -105.528, 167.839)  (-204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,  -0.037,   0.417)  (  0.086,  -0.030,   0.425)  ( 0.04,  0.03,  0.36)
173:     torsion ( -0.086,   0.072,   0.059)  ( -0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694, -22.266,   6.864)  (  2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 40       ( 79.113, -45.579, 280.385)  ( 79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096, -61.045, 269.764)  ( 65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,  -0.097,  -0.386)  (  0.180,  -0.092,  -0.379)  ( 0.15,  0.05,  0.28)
173:     torsion (  0.077,   0.128,  -0.078)  (  0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768,  15.435,  11.087)  ( 13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 41       (-175.256, -201.805, -127.758)  (-175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, -204.493, -105.528)  (-167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,   0.081,  -0.037)  ( -0.425,   0.086,  -0.030)  ( 0.38,  0.04,  0.03)
173:     torsion ( -0.062,  -0.086,   0.072)  ( -0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,   2.694, -22.266)  ( -6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 42       (-280.461,  79.113,  45.542)  (-280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822,  65.096,  61.024)  (-269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,   0.172,   0.087)  (  0.379,   0.180,   0.092)  ( 0.27,  0.15,  0.05)
173:     torsion (  0.076,   0.077,  -0.134)  (  0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
175:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
175:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
175:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
175:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
175:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
175:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
175:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
175:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
175:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
175:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
175:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
175:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
175:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
175:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
175:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
175:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
175:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
175:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
175: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
175:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
175:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
175:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
175:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
175: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
175:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
175:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
175:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
175:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
175:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
175:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
175: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aa4_qc0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aa5_nqb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aa7_r82.sdf
175:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
175:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
175:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
175:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
175:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
175:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
175: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
175:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
175:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
175:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
175:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
175: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
175:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
175:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
175:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
175: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
175:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
175:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
175:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
175:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
175:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
175: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
175:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
175:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
175: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
175:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
175:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087,  13.768, -15.435)  (-11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 43       (175.179, -201.805, -127.758)  (175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, -204.493, -105.528)  (167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,   0.081,  -0.037)  (  0.425,   0.086,  -0.030)  ( 0.36,  0.04,  0.03)
173:     torsion (  0.059,  -0.086,   0.072)  (  0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,   2.694, -22.266)  (  6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 44       ( 45.542, 280.385, -79.182)  ( 45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, 269.764, -65.145)  ( 61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,  -0.386,  -0.189)  (  0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
173:     torsion ( -0.134,  -0.078,  -0.079)  ( -0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435,  11.087, -13.769)  (-15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 45       (-45.579, 280.385, -79.182)  (-45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, 269.764, -65.145)  (-61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,  -0.386,  -0.189)  ( -0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
173:     torsion (  0.128,  -0.078,  -0.079)  (  0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435,  11.087, -13.769)  ( 15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 46       ( 45.542, -280.461, -79.182)  ( 45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, -269.822, -65.145)  ( 61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,   0.372,  -0.189)  (  0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
173:     torsion ( -0.134,   0.076,  -0.079)  ( -0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435, -11.087, -13.769)  (-15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 47       (-127.758, -175.256, 201.756)  (-127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, -167.895, 204.461)  (-105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,  -0.434,  -0.092)  ( -0.030,  -0.425,  -0.086)  ( 0.03,  0.38,  0.05)
173:     torsion (  0.072,  -0.062,   0.081)  (  0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,  -6.865,  -2.694)  (-22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 48       (-153.609,  -0.039, -252.054)  (-153.597,   0.000, -252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (-164.452,  -0.027, -231.402)  (-164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
173:     angle   ( -0.251,  -0.010,  -0.078)  ( -0.248,   0.000,  -0.070)  ( 0.09,  0.01,  0.06)
173:     torsion ( -0.095,  -0.001,   0.027)  ( -0.091,   0.000,   0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.189,  -0.001, -20.602)  ( 11.189,   0.000, -20.601)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aac_aav.sdf
174:     torsion ( -3.331,   3.439,  -3.426)  ( -3.331,   3.439,  -3.426)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.767,   5.294, -11.798)  (  5.768,   5.295, -11.798)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       ( -5.885,  -8.931, -52.790)  ( -5.882,  -8.918, -52.771)  ( 0.05,  0.14,  0.04)
174:     bond    (  0.309,  11.548, -14.901)  (  0.309,  11.558, -14.884)  ( 0.00,  0.09,  0.12)
174:     angle   ( -5.702,  -5.199,  -4.155)  ( -5.699,  -5.197,  -4.154)  ( 0.05,  0.03,  0.03)
174:     torsion ( -0.002,  -2.821,  -2.191)  ( -0.002,  -2.821,  -2.191)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.490, -12.458, -31.543)  ( -0.490, -12.458, -31.542)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (  9.458,  -4.008,  17.326)  (  9.462,  -3.993,  17.342)  ( 0.04,  0.36,  0.10)
174:     bond    ( -0.858,  -7.737,   8.410)  ( -0.858,  -7.725,   8.425)  ( 0.01,  0.16,  0.18)
174:     angle   (  0.951,  16.311,  15.052)  (  0.953,  16.313,  15.053)  ( 0.28,  0.01,  0.01)
174:     torsion (  6.189,  -5.933,  -4.809)  (  6.189,  -5.933,  -4.809)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.178,  -6.649,  -1.327)  (  3.178,  -6.649,  -1.327)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       (  1.202,   7.569, -16.604)  (  1.206,   7.579, -16.583)  ( 0.36,  0.13,  0.13)
174:     bond    ( -0.741,  -4.985,  -8.670)  ( -0.741,  -4.978,  -8.650)  ( 0.01,  0.14,  0.24)
174:     angle   ( 19.298,  11.561,  -8.309)  ( 19.301,  11.564,  -8.308)  ( 0.02,  0.02,  0.01)
174:     torsion ( -4.603,   8.550,  -4.527)  ( -4.603,   8.550,  -4.527)  ( 0.00,  0.00,  0.00)
174:     vdw     (-12.753,  -7.557,   4.902)  (-12.751,  -7.557,   4.902)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 61       (  0.222,  16.889, -44.780)  (  0.225,  16.915, -44.775)  ( 0.08,  0.15,  0.01)
174:     bond    ( -1.386,  20.860,  -6.064)  ( -1.386,  20.885,  -6.062)  ( 0.00,  0.12,  0.03)
174:     angle   ( -3.325,  -5.687, -18.836)  ( -3.322,  -5.687, -18.834)  ( 0.08,  0.00,  0.01)
174:     torsion (  7.603,  -5.139, -19.445)  (  7.603,  -5.139, -19.445)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.671,   6.856,  -0.436)  ( -2.671,   6.856,  -0.435)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 62       (-11.163, -22.804,  19.699)  (-11.158, -22.782,  19.706)  ( 0.04,  0.10,  0.04)
174:     bond    (  5.612, -18.339,   8.759)  (  5.614, -18.318,   8.764)  ( 0.03,  0.11,  0.05)
174:     angle   (-10.045,   6.500,  20.018)  (-10.042,   6.501,  20.021)  ( 0.02,  0.01,  0.02)
174:     torsion ( -6.192,  -3.697,  -3.761)  ( -6.192,  -3.697,  -3.761)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.538,  -7.268,  -5.318)  ( -0.538,  -7.268,  -5.318)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 63       ( -7.929,  12.434, -29.237)  ( -7.923,  12.439, -29.213)  ( 0.08,  0.04,  0.08)
174:     bond    ( -8.382,  -4.333, -22.492)  ( -8.379,  -4.333, -22.469)  ( 0.04,  0.02,  0.10)
174:     angle   (-19.664,  13.436,   4.740)  (-19.662,  13.440,   4.740)  ( 0.01,  0.03,  0.01)
174:     torsion (  2.869,   6.025,  -2.232)  (  2.869,   6.025,  -2.232)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 17.248,  -2.694,  -9.253)  ( 17.248,  -2.694,  -9.253)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 64       ( -4.731, -155.892,  91.597)  ( -4.731, -155.852,  91.604)  ( 0.01,  0.03,  0.01)
174:     bond    (-17.037, -174.637,  46.452)  (-17.036, -174.598,  46.456)  ( 0.01,  0.02,  0.01)
174:     angle   ( -0.653,   3.633,  13.413)  ( -0.653,   3.633,  13.415)  ( 0.00,  0.01,  0.02)
174:     torsion ( 11.026,  -0.870,   0.773)  ( 11.026,  -0.870,   0.773)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.985,  17.333,  30.587)  (  0.985,  17.333,  30.588)  ( 0.01,  0.00,  0.00)
174:     electro (  0.947,  -1.351,   0.372)  (  0.947,  -1.351,   0.372)  ( 0.00,  0.00,  0.00)
175:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
175: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
175:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
175:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
175:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
175:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
175: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
175:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
175:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
175:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
175: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
175:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
175:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
175:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
175:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
175: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
175:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
175:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
175:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
175:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
175: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
175:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
175:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
175:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
175: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
175:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aaw_r84.sdf
174: 65       (-537.893, -18.195, 271.533)  (-537.846, -18.192, 271.542)  ( 0.01,  0.01,  0.00)
174:     bond    (-318.057, -51.391,   7.139)  (-318.016, -51.389,   7.141)  ( 0.01,  0.01,  0.02)
174:     angle   (  1.368,  -2.834,  40.547)  (  1.369,  -2.834,  40.550)  ( 0.00,  0.00,  0.01)
174:     torsion ( -6.132,  38.351,   2.887)  ( -6.132,  38.352,   2.887)  ( 0.00,  0.00,  0.00)
174:     vdw     (-212.980,  -2.100, 217.731)  (-212.975,  -2.101, 217.735)  ( 0.00,  0.03,  0.00)
174:     electro ( -2.092,  -0.220,   3.229)  ( -2.092,  -0.220,   3.229)  ( 0.00,  0.00,  0.00)
174: ok 14 # gradients 
174: ok 15 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (166.260, -124.810, -60.501)  (166.338, -124.744, -60.475)  ( 0.05,  0.05,  0.04)
174:     bond    (-26.883, -147.726, -90.013)  (-26.816, -147.672, -89.993)  ( 0.25,  0.04,  0.02)
174:     angle   (190.780,  16.997,  38.464)  (190.792,  17.008,  38.468)  ( 0.01,  0.06,  0.01)
174:     torsion (  1.643,   5.589,  -9.269)  (  1.643,   5.590,  -9.267)  ( 0.00,  0.01,  0.02)
174:     vdw     (  1.136,   0.027,   0.420)  (  1.136,   0.027,   0.420)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.417,   0.303,  -0.103)  ( -0.417,   0.303,  -0.103)  ( 0.00,  0.00,  0.00)
174:  2       (-297.442,  96.061,  13.554)  (-297.360,  96.124,  13.580)  ( 0.03,  0.07,  0.19)
174:     bond    (-129.145, 138.142,  49.204)  (-129.074, 138.195,  49.224)  ( 0.06,  0.04,  0.04)
174:     angle   (-166.550, -33.495, -45.045)  (-166.539, -33.485, -45.042)  ( 0.01,  0.03,  0.01)
174:     torsion ( -2.365,  -6.507,  10.958)  ( -2.365,  -6.506,  10.961)  ( 0.01,  0.01,  0.02)
174:     vdw     (  0.160,  -1.116,  -0.733)  (  0.160,  -1.116,  -0.733)  ( 0.00,  0.00,  0.00)
174:     electro (  0.459,  -0.964,  -0.830)  (  0.459,  -0.964,  -0.830)  ( 0.00,  0.00,  0.00)
174:  3       ( -9.374,  44.901,  10.754)  ( -9.292,  44.960,  10.779)  ( 0.88,  0.13,  0.23)
174:     bond    ( 19.883, -14.941,   1.560)  ( 19.953, -14.890,   1.579)  ( 0.35,  0.34,  1.26)
174:     angle   (-34.122,  46.870,  31.364)  (-34.110,  46.878,  31.368)  ( 0.03,  0.02,  0.01)
174:     torsion (  4.521,  13.586, -22.108)  (  4.521,  13.587, -22.106)  ( 0.00,  0.01,  0.01)
174:     vdw     (  0.345,  -0.614,  -0.062)  (  0.345,  -0.614,  -0.062)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-124.051, -215.622, -108.163)  (-123.960, -215.557, -108.137)  ( 0.07,  0.03,  0.02)
174:     bond    (-57.493, -82.447, -62.641)  (-57.414, -82.393, -62.620)  ( 0.14,  0.06,  0.03)
174:     angle   (-65.102, -130.239, -41.819)  (-65.090, -130.228, -41.816)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.390,  -1.566,  -3.103)  ( -0.390,  -1.565,  -3.101)  ( 0.00,  0.06,  0.06)
174:     vdw     ( -1.066,  -1.370,  -0.600)  ( -1.066,  -1.370,  -0.600)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-96.373, -281.104, -157.053)  (-96.286, -281.046, -157.025)  ( 0.09,  0.02,  0.02)
174:     bond    ( 35.164, -188.308, -106.187)  ( 35.239, -188.263, -106.166)  ( 0.21,  0.02,  0.02)
174:     angle   (-128.195, -84.691, -69.739)  (-128.183, -84.679, -69.735)  ( 0.01,  0.01,  0.01)
174:     torsion ( -3.475, -11.451,  18.110)  ( -3.475, -11.450,  18.112)  ( 0.00,  0.01,  0.01)
174:     vdw     (  0.841,   0.225,   0.383)  (  0.841,   0.225,   0.383)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.709,   3.122,   0.381)  ( -0.709,   3.122,   0.381)  ( 0.00,  0.00,  0.00)
174:  6       (135.392, 231.857,  41.616)  (135.485, 231.944,  41.619)  ( 0.07,  0.04,  0.01)
174:     bond    ( 63.298,  98.989, -13.836)  ( 63.378,  99.062, -13.837)  ( 0.13,  0.07,  0.00)
174:     angle   ( 70.873, 127.550,  32.227)  ( 70.885, 127.563,  32.227)  ( 0.02,  0.01,  0.00)
174:     torsion (  0.010,   3.655,  22.816)  (  0.010,   3.656,  22.819)  ( 0.00,  0.01,  0.01)
174:     vdw     (  1.212,   1.662,   0.409)  (  1.212,   1.662,   0.409)  ( 0.00,  0.00,  0.00)
175:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
175:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
175: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
175:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
175:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
175:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
175:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
175:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
175:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
175:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
175:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
175:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
175:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4abu_ft1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4abv_ft2.sdf
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 49       ( 79.113,  45.542, 280.385)  ( 79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096,  61.024, 269.764)  ( 65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,   0.087,  -0.386)  (  0.180,   0.092,  -0.379)  ( 0.15,  0.05,  0.28)
173:     torsion (  0.077,  -0.134,  -0.078)  (  0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768, -15.435,  11.087)  ( 13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 50       (-175.256, 201.756, -127.758)  (-175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, 204.461, -105.528)  (-167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,  -0.092,  -0.037)  ( -0.425,  -0.086,  -0.030)  ( 0.38,  0.05,  0.03)
173:     torsion ( -0.062,   0.081,   0.072)  ( -0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,  -2.694, -22.266)  ( -6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 51       (-45.579, -280.461, -79.182)  (-45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, -269.822, -65.145)  (-61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,   0.372,  -0.189)  ( -0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
173:     torsion (  0.128,   0.076,  -0.079)  (  0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435, -11.087, -13.769)  ( 15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 52       (127.701, -175.256, 201.756)  (127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (105.488, -167.895, 204.461)  (105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
173:     angle   (  0.023,  -0.434,  -0.092)  (  0.030,  -0.425,  -0.086)  ( 0.02,  0.38,  0.05)
173:     torsion ( -0.075,  -0.062,   0.081)  ( -0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,  -6.865,  -2.694)  ( 22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 53       (280.385,  79.113,  45.542)  (280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764,  65.096,  61.024)  (269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,   0.172,   0.087)  ( -0.379,   0.180,   0.092)  ( 0.28,  0.15,  0.05)
173:     torsion ( -0.078,   0.077,  -0.134)  ( -0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087,  13.768, -15.435)  ( 11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 54       ( -0.039, 251.973, 153.584)  (  0.000, 252.014, 153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, 231.339, 164.441)  (  0.000, 231.370, 164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,   0.062,   0.245)  (  0.000,   0.070,   0.248)  ( 0.01,  0.05,  0.08)
173:     torsion ( -0.001,  -0.029,   0.087)  (  0.000,  -0.028,   0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001,  20.601, -11.189)  ( -0.000,  20.601, -11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 55       (127.701, 175.179, 201.756)  (127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (105.488, 167.839, 204.461)  (105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (123.249, 325.409, -71.352)  (123.338, 325.486, -71.347)  ( 0.07,  0.02,  0.01)
174:     bond    (-21.296, 213.826, -37.139)  (-21.219, 213.888, -37.137)  ( 0.36,  0.03,  0.01)
174:     angle   (144.375, 118.592, -11.308)  (144.387, 118.608, -11.308)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.299,  -3.704, -22.297)  (  0.299,  -3.704, -22.295)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.931,  -0.274,   0.221)  ( -0.931,  -0.274,   0.221)  ( 0.00,  0.00,  0.00)
174:     electro (  0.801,  -3.032,  -0.829)  (  0.801,  -3.032,  -0.829)  ( 0.00,  0.00,  0.00)
174:  8       (-173.670, 141.930,   1.489)  (-173.590, 142.018,   1.491)  ( 0.05,  0.06,  0.11)
174:     bond    ( 35.279, 170.381, -15.404)  ( 35.347, 170.453, -15.405)  ( 0.19,  0.04,  0.00)
174:     angle   (-208.439, -28.829,   7.088)  (-208.427, -28.814,   7.087)  ( 0.01,  0.05,  0.01)
174:     torsion (  0.235,   0.811,   9.763)  (  0.235,   0.811,   9.766)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.182,  -0.171,   0.176)  ( -1.182,  -0.171,   0.176)  ( 0.00,  0.00,  0.00)
174:     electro (  0.437,  -0.262,  -0.133)  (  0.437,  -0.262,  -0.133)  ( 0.00,  0.00,  0.00)
174:  9       (301.704, -104.522,  13.779)  (301.791, -104.438,  13.781)  ( 0.03,  0.08,  0.01)
174:     bond    (124.141, -150.653,   6.072)  (124.216, -150.583,   6.071)  ( 0.06,  0.05,  0.01)
174:     angle   (177.366,  42.267,  -6.026)  (177.378,  42.281,  -6.026)  ( 0.01,  0.03,  0.01)
174:     torsion (  0.582,   1.393,  14.392)  (  0.582,   1.393,  14.396)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -0.014,   1.237,  -0.267)  ( -0.014,   1.237,  -0.267)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.371,   1.234,  -0.393)  ( -0.371,   1.234,  -0.393)  ( 0.00,  0.00,  0.00)
174: 10       ( -9.031, -36.657,  -1.954)  ( -8.947, -36.577,  -1.951)  ( 0.93,  0.22,  0.14)
174:     bond    (-21.325,  13.809,   7.460)  (-21.252,  13.878,   7.459)  ( 0.34,  0.50,  0.01)
174:     angle   ( 13.345, -47.372,  23.451)  ( 13.357, -47.361,  23.452)  ( 0.09,  0.02,  0.00)
174:     torsion ( -0.719,  -3.690, -33.032)  ( -0.719,  -3.690, -33.029)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.333,   0.596,   0.167)  ( -0.333,   0.596,   0.168)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-336.506, -447.392,  64.729)  (-336.459, -447.339,  64.774)  ( 0.01,  0.01,  0.07)
174:     bond    (-120.022, -230.427,  22.445)  (-119.988, -230.387,  22.481)  ( 0.03,  0.02,  0.16)
174:     angle   (-216.364, -217.710,  35.994)  (-216.351, -217.696,  36.003)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.153,   0.539,   5.921)  (  0.153,   0.539,   5.921)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.273,   0.205,   0.368)  ( -0.273,   0.205,   0.368)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       ( 46.356, -46.809,   0.794)  ( 46.380, -46.798,   0.794)  ( 0.05,  0.02,  0.02)
174:     bond    ( 11.340,   6.435,  -0.602)  ( 11.362,   6.442,  -0.602)  ( 0.19,  0.11,  0.00)
174:     angle   ( 29.821, -51.986,   6.570)  ( 29.823, -51.982,   6.570)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.085,  -0.362,  -5.488)  ( -0.085,  -0.362,  -5.487)  ( 0.00,  0.00,  0.02)
174:     vdw     (  2.804,  -0.728,   0.159)  (  2.804,  -0.728,   0.159)  ( 0.00,  0.00,  0.00)
174:     electro (  2.476,  -0.168,   0.155)  (  2.476,  -0.168,   0.155)  ( 0.00,  0.00,  0.00)
174: 13       (-43.636, -62.095,   8.066)  (-43.618, -62.079,   8.066)  ( 0.04,  0.03,  0.01)
174:     bond    (  6.870,  -6.372,   0.515)  (  6.886,  -6.359,   0.515)  ( 0.23,  0.21,  0.00)
174:     angle   (-50.625, -54.068,   9.337)  (-50.623, -54.064,   9.337)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.046,  -0.212,  -2.002)  ( -0.046,  -0.212,  -2.002)  ( 0.00,  0.00,  0.04)
174:     vdw     (  0.398,  -0.320,  -0.098)  (  0.398,  -0.320,  -0.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.233,  -1.124,   0.314)  ( -0.233,  -1.124,   0.314)  ( 0.00,  0.00,  0.00)
174: 14       (308.284, 404.996, 275.217)  (308.332, 405.047, 275.264)  ( 0.02,  0.01,  0.02)
174:     bond    (107.886, 194.366, 137.411)  (107.920, 194.406, 137.448)  ( 0.03,  0.02,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4abw_42m.sdf
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
175:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
175:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
175:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
175:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
175:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
175:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
175:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
175:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
175:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
175:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
174:     angle   (200.875, 213.264, 133.858)  (200.889, 213.276, 133.868)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.757,  -2.266,   3.729)  ( -0.757,  -2.265,   3.730)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.279,  -0.369,   0.219)  (  0.280,  -0.369,   0.219)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-44.147,  39.860,  11.226)  (-44.125,  39.868,  11.231)  ( 0.05,  0.02,  0.05)
174:     bond    (-10.739,  -4.993,  -5.106)  (-10.719,  -4.989,  -5.102)  ( 0.19,  0.09,  0.09)
174:     angle   (-28.282,  44.652,  15.753)  (-28.281,  44.655,  15.753)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.151,  -0.525,   0.829)  ( -0.151,  -0.525,   0.830)  ( 0.00,  0.01,  0.05)
174:     vdw     ( -2.532,   0.555,  -0.056)  ( -2.532,   0.555,  -0.056)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.442,   0.172,  -0.193)  ( -2.442,   0.172,  -0.193)  ( 0.00,  0.00,  0.00)
174: 16       ( 38.574,  50.678,  41.047)  ( 38.592,  50.691,  41.050)  ( 0.05,  0.03,  0.01)
174:     bond    ( -7.428,   5.996,   2.147)  ( -7.412,   6.007,   2.149)  ( 0.22,  0.18,  0.06)
174:     angle   ( 46.271,  43.224,  38.774)  ( 46.273,  43.226,  38.776)  ( 0.00,  0.01,  0.00)
174:     torsion (  0.129,   0.355,  -0.548)  (  0.129,   0.355,  -0.548)  ( 0.00,  0.01,  0.03)
174:     vdw     ( -0.555,   0.208,  -0.096)  ( -0.555,   0.208,  -0.096)  ( 0.00,  0.00,  0.00)
174:     electro (  0.157,   0.896,   0.769)  (  0.157,   0.896,   0.769)  ( 0.00,  0.00,  0.00)
174: 17       ( 71.455, 185.399, 120.770)  ( 71.462, 185.421, 120.779)  ( 0.01,  0.01,  0.01)
174:     bond    (-22.457, 185.029, 106.355)  (-22.456, 185.051, 106.363)  ( 0.01,  0.01,  0.01)
174:     angle   ( 88.062,  -0.258,  19.043)  ( 88.067,  -0.258,  19.043)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.626,   1.802,  -3.004)  (  0.626,   1.802,  -3.003)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -0.029,  -0.116,  -2.337)  ( -0.029,  -0.116,  -2.337)  ( 0.00,  0.00,  0.00)
174:     electro (  5.254,  -1.057,   0.713)  (  5.254,  -1.057,   0.713)  ( 0.00,  0.00,  0.00)
174: 18       (-95.247, -212.706,  45.184)  (-95.241, -212.677,  45.186)  ( 0.01,  0.01,  0.01)
174:     bond    (  9.361, -210.545,  37.181)  (  9.362, -210.516,  37.183)  ( 0.01,  0.01,  0.01)
174:     angle   (-100.474,  -5.213,  -4.217)  (-100.469,  -5.213,  -4.217)  ( 0.01,  0.00,  0.00)
174:     torsion ( -0.174,   2.516,  14.287)  ( -0.174,   2.516,  14.287)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.452,  -0.345,  -2.215)  (  1.452,  -0.345,  -2.215)  ( 0.02,  0.00,  0.00)
174:     electro ( -5.413,   0.881,   0.149)  ( -5.413,   0.881,   0.149)  ( 0.00,  0.00,  0.00)
174: 19       (-84.920, -114.935, -67.235)  (-84.906, -114.922, -67.225)  ( 0.02,  0.01,  0.01)
174:     bond    ( 31.603, -31.324, -25.273)  ( 31.614, -31.314, -25.266)  ( 0.03,  0.03,  0.03)
174:     angle   (-117.689, -84.412, -42.640)  (-117.686, -84.410, -42.637)  ( 0.00,  0.00,  0.01)
174:     torsion ( -0.008,   0.089,  -0.120)  ( -0.008,   0.089,  -0.120)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.174,   0.712,   0.799)  (  1.174,   0.712,   0.799)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (-48.107, -72.235, -69.589)  (-48.093, -72.229, -69.574)  ( 0.03,  0.01,  0.02)
174:     bond    (-37.263,  17.611, -41.184)  (-37.252,  17.614, -41.170)  ( 0.03,  0.02,  0.03)
174:     angle   (-10.876, -89.876, -28.612)  (-10.874, -89.872, -28.611)  ( 0.02,  0.00,  0.01)
174:     torsion ( -0.096,  -0.011,   0.083)  ( -0.096,  -0.011,   0.083)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.129,   0.040,   0.124)  (  0.129,   0.040,   0.124)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (-41.116, -95.064, -44.322)  (-41.105, -95.050, -44.310)  ( 0.03,  0.01,  0.03)
174:     bond    (-30.031, -36.047,  31.516)  (-30.023, -36.035,  31.525)  ( 0.03,  0.03,  0.03)
174:     angle   ( -8.296, -60.639, -77.213)  ( -8.293, -60.637, -77.210)  ( 0.03,  0.00,  0.00)
174:     torsion (  0.117,  -0.076,   0.025)  (  0.117,  -0.076,   0.025)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.906,   1.698,   1.350)  ( -2.905,   1.698,   1.350)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4abz_t1c.sdf
175:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
175:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
175:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
175:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
175: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
175:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
175:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
175:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
175: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
175:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
175:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
175: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
175:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
175:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
175: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
175:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
175:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
175:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
175: ok 2 # gradients 
175: ok 3 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
175:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
175:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
175:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
175:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
175:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
175:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
175:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
175:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
175:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
175:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
175:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
175:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
175:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
175:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
175:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
175:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
175:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
175:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
175:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
175:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
175:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
175:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
175:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
175: ok 4 # gradients 
175: ok 5 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.124,   0.344,  -0.637)  ( -0.119,   0.347,  -0.633)  ( 0.06,  0.09,  0.26)
175:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
175:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
175:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
175:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
175:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
175:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
175:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
175:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
175:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
175:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.084,  -0.011,   0.022)  ( -0.082,  -0.014,   0.025)  ( 0.02,  0.00,  0.01)
175:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
175:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
175:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
175:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
175:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
175:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
175:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
175:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
175:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
175:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (  0.018,   0.028,  -0.035)  (  0.020,   0.006,  -0.045)  ( 0.00,  0.06,  0.03)
175:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
175:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
175:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
175:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
175:  6       (  0.021,   0.003,  -0.007)  (  0.026,  -0.014,  -0.016)  ( 0.01,  0.01,  0.01)
175:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
175:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ac0_miy.sdf
175:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
175:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
175:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
175:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
175:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
175:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
175:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
175:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
175:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 6 # gradients 
175: ok 7 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
175:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
175:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
175:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
175:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
175:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
175:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
175:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
175:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
175:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
175:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
175:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
175:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
175:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
175:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
175:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
175:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
175:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
175:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
175:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ac2_43f.sdf
175:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
175:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
175:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
175:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
175:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
175:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
175:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
175:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
175:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
175: ok 8 # gradients 
175: ok 9 # energy 
175: ----------------------------------------------------------------------------------------
173:     angle   (  0.023,   0.417,  -0.092)  (  0.030,   0.425,  -0.086)  ( 0.02,  0.36,  0.05)
173:     torsion ( -0.075,   0.059,   0.081)  ( -0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,   6.864,  -2.694)  ( 22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 56       (-127.758, 175.179, 201.756)  (-127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, 167.839, 204.461)  (-105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,   0.417,  -0.092)  ( -0.030,   0.425,  -0.086)  ( 0.03,  0.36,  0.05)
173:     torsion (  0.072,   0.059,   0.081)  (  0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,   6.864,  -2.694)  (-22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 57       (175.179, 201.756, -127.758)  (175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, 204.461, -105.528)  (167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,  -0.092,  -0.037)  (  0.425,  -0.086,  -0.030)  ( 0.36,  0.05,  0.03)
173:     torsion (  0.059,   0.081,   0.072)  (  0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,  -2.694, -22.266)  (  6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 58       (-280.461, -79.182,  45.542)  (-280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822, -65.145,  61.024)  (-269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,  -0.189,   0.087)  (  0.379,  -0.180,   0.092)  ( 0.27,  0.16,  0.05)
173:     torsion (  0.076,  -0.079,  -0.134)  (  0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087, -13.769, -15.435)  (-11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 59       (280.385, -79.182,  45.542)  (280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764, -65.145,  61.024)  (269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,  -0.189,   0.087)  ( -0.379,  -0.180,   0.092)  ( 0.28,  0.16,  0.05)
173:     torsion ( -0.078,  -0.079,  -0.134)  ( -0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087, -13.769, -15.435)  ( 11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 60       ( -0.039, -252.054, 153.584)  ( -0.000, -252.014, 153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, -231.402, 164.441)  (  0.000, -231.370, 164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,  -0.078,   0.245)  (  0.000,  -0.070,   0.248)  ( 0.01,  0.06,  0.08)
173:     torsion ( -0.001,   0.027,   0.087)  ( -0.000,   0.028,   0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001, -20.602, -11.189)  (  0.000, -20.601, -11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 18 # gradients 
173: ok 19 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (128.296, -35.573,  -1.888)  (128.330, -35.535,  -1.883)  ( 0.03,  0.11,  0.29)
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
175:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
175:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
175:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
175:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
175:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
175:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
175:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
175:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
175:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
175:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
175:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
175:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
175:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
175:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
175:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
175:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
175:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ac3_r83.sdf
173:     bond    (218.773, -102.594,   0.838)  (218.799, -102.565,   0.837)  ( 0.01,  0.03,  0.06)
173:     angle   (-68.683, 105.729,   0.647)  (-68.676, 105.737,   0.647)  ( 0.01,  0.01,  0.02)
173:     torsion (  0.038,   0.040,  -3.549)  (  0.038,   0.040,  -3.543)  ( 0.00,  0.00,  0.17)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.813, -37.299,   0.127)  (-20.813, -37.298,   0.126)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.019,  -1.448,   0.050)  ( -1.019,  -1.448,   0.050)  ( 0.00,  0.00,  0.00)
173:  2       (281.068, -1188.291, -17.634)  (281.102, -1188.250, -17.626)  ( 0.01,  0.00,  0.04)
173:     bond    (199.175, -1090.331, -15.615)  (199.206, -1090.299, -15.611)  ( 0.02,  0.00,  0.02)
173:     angle   ( 69.460, -67.272,   0.308)  ( 69.464, -67.264,   0.307)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.023,   0.021,  -1.836)  ( -0.023,   0.021,  -1.832)  ( 0.00,  0.00,  0.22)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.333, -37.494,  -0.530)  ( 15.333, -37.493,  -0.530)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.877,   6.785,   0.040)  ( -2.877,   6.785,   0.040)  ( 0.00,  0.00,  0.00)
173:  3       (-95.225,  97.149,   0.483)  (-95.191,  97.186,   0.488)  ( 0.04,  0.04,  0.23)
173:     bond    ( 63.762, 122.448,  -0.384)  ( 63.785, 122.476,  -0.384)  ( 0.04,  0.02,  0.01)
173:     angle   (-186.520, -27.262,   1.747)  (-186.510, -27.252,   1.749)  ( 0.01,  0.03,  0.10)
173:     torsion (  0.007,  -0.009,  -0.836)  (  0.007,  -0.009,  -0.832)  ( 0.00,  0.00,  0.27)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 29.633,   0.508,  -0.018)  ( 29.634,   0.508,  -0.018)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.107,   1.463,  -0.026)  ( -2.107,   1.463,  -0.026)  ( 0.00,  0.00,  0.00)
173:  4       ( 94.737, 157.424,  -0.489)  ( 94.780, 157.473,  -0.485)  ( 0.05,  0.03,  0.19)
173:     bond    (-46.361, -63.712,   0.736)  (-46.328, -63.677,   0.736)  ( 0.07,  0.06,  0.01)
173:     angle   (123.050, 192.290,  -1.188)  (123.061, 192.303,  -1.188)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.003,  -0.009,   1.181)  ( -0.003,  -0.009,   1.185)  ( 0.00,  0.00,  0.33)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.661,  34.033,  -1.182)  ( 22.662,  34.034,  -1.182)  ( 0.00,  0.00,  0.01)
173:     electro ( -4.612,  -5.178,  -0.035)  ( -4.612,  -5.178,  -0.035)  ( 0.00,  0.00,  0.00)
173:  5       ( 50.085,  46.745,  -5.713)  ( 50.097,  46.767,  -5.713)  ( 0.02,  0.05,  0.01)
173:     bond    ( 19.816,  34.187,  -0.459)  ( 19.823,  34.207,  -0.459)  ( 0.03,  0.06,  0.01)
173:     angle   ( -3.956,   2.291,   0.156)  ( -3.952,   2.292,   0.156)  ( 0.08,  0.05,  0.00)
173:     torsion (  0.006,   0.008,   0.847)  (  0.006,   0.008,   0.847)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 36.360,  13.815,  -6.604)  ( 36.362,  13.816,  -6.604)  ( 0.01,  0.01,  0.00)
173:     electro ( -2.141,  -3.556,   0.346)  ( -2.141,  -3.556,   0.346)  ( 0.00,  0.00,  0.00)
173:  6       ( 41.005, -127.450,  -1.432)  ( 41.044, -127.413,  -1.426)  ( 0.10,  0.03,  0.42)
173:     bond    ( 11.187,  -3.409,  -0.560)  ( 11.216,  -3.383,  -0.559)  ( 0.26,  0.74,  0.02)
173:     angle   ( 48.460, -158.897,   1.836)  ( 48.470, -158.886,   1.838)  ( 0.02,  0.01,  0.12)
173:     torsion ( -0.002,  -0.007,  -2.722)  ( -0.002,  -0.007,  -2.718)  ( 0.00,  0.00,  0.13)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.313,  35.607,   0.035)  (-21.313,  35.608,   0.035)  ( 0.00,  0.00,  0.00)
173:     electro (  2.674,  -0.745,  -0.021)  (  2.674,  -0.745,  -0.021)  ( 0.00,  0.00,  0.00)
173:  7       (-172.336, 176.366,   1.808)  (-172.289, 176.402,   1.812)  ( 0.03,  0.02,  0.22)
173:     bond    (-39.092, 208.455,   0.645)  (-39.056, 208.480,   0.644)  ( 0.09,  0.01,  0.05)
173:     angle   (-117.591, -37.558,  -0.021)  (-117.580, -37.549,  -0.021)  ( 0.01,  0.03,  0.00)
173:     torsion ( -0.015,  -0.016,   1.697)  ( -0.015,  -0.016,   1.702)  ( 0.00,  0.00,  0.27)
175:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
175:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
175:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
175:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
175:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
175:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
175:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
175:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
175:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 10 # gradients 
175: ok 11 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-26.856,   1.037,  -0.590)  (-26.855,   1.037,  -0.590)  ( 0.00,  0.02,  0.00)
173:     electro ( 11.217,   4.449,   0.077)  ( 11.217,   4.449,   0.078)  ( 0.00,  0.00,  0.00)
173:  8       (-71.877,  25.255,  -1.766)  (-71.850,  25.261,  -1.766)  ( 0.04,  0.02,  0.04)
173:     bond    (-48.136,   0.639,  -0.319)  (-48.109,   0.639,  -0.319)  ( 0.06,  0.01,  0.01)
173:     angle   (  0.447,  33.751,   0.218)  (  0.447,  33.755,   0.219)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.002,   0.001,   0.249)  ( -0.002,   0.001,   0.250)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.882, -13.305,  -1.995)  (-18.882, -13.304,  -1.995)  ( 0.00,  0.01,  0.00)
173:     electro ( -5.304,   4.169,   0.081)  ( -5.304,   4.169,   0.081)  ( 0.00,  0.00,  0.00)
173:  9       (107.964,  16.302,   0.120)  (107.998,  16.335,   0.125)  ( 0.03,  0.21,  0.06)
173:     bond    (-114.432, -52.818,  -1.214)  (-114.405, -52.794,  -1.215)  ( 0.02,  0.05,  0.03)
173:     angle   (213.876,  81.450,   1.116)  (213.883,  81.460,   1.118)  ( 0.00,  0.01,  0.23)
173:     torsion ( -0.007,   0.012,   0.300)  ( -0.007,   0.012,   0.303)  ( 0.00,  0.00,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.635,  -6.803,  -0.038)  (  4.635,  -6.803,  -0.038)  ( 0.00,  0.00,  0.00)
173:     electro (  3.892,  -5.540,  -0.044)  (  3.892,  -5.540,  -0.044)  ( 0.00,  0.00,  0.00)
173: 10       (-1232.123, 378.660,   7.823)  (-1232.101, 378.688,   7.832)  ( 0.00,  0.01,  0.11)
173:     bond    (-1219.073, 393.320,   6.949)  (-1219.052, 393.348,   6.957)  ( 0.00,  0.01,  0.11)
173:     angle   (  0.014,   0.007,  -0.000)  (  0.014,   0.007,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.013,  -0.025,   1.906)  (  0.013,  -0.025,   1.907)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.447, -14.655,  -1.091)  (-15.447, -14.655,  -1.091)  ( 0.00,  0.00,  0.00)
173:     electro (  2.370,   0.013,   0.059)  (  2.370,   0.013,   0.059)  ( 0.00,  0.00,  0.00)
173: 11       (868.110, 416.293,   5.883)  (868.142, 416.327,   5.888)  ( 0.00,  0.01,  0.09)
173:     bond    (931.068, 534.771,   7.333)  (931.096, 534.801,   7.337)  ( 0.00,  0.01,  0.05)
173:     angle   (-66.254, -120.686,  -1.778)  (-66.250, -120.682,  -1.778)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.003,  -0.008,   0.240)  ( -0.003,  -0.008,   0.242)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.363,   1.247,   0.074)  (  3.363,   1.247,   0.074)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.064,   0.969,   0.013)  ( -0.064,   0.969,   0.013)  ( 0.00,  0.00,  0.00)
173: 12       ( 38.119,  -4.461,   4.327)  ( 38.147,  -4.433,   4.353)  ( 0.07,  0.64,  0.60)
173:     bond    ( 43.122,  15.663,   2.939)  ( 43.141,  15.682,   2.958)  ( 0.04,  0.12,  0.64)
173:     angle   ( -3.080,  -2.207,   0.710)  ( -3.071,  -2.198,   0.717)  ( 0.27,  0.41,  0.47)
173:     torsion ( -0.010,  -0.019,   0.925)  ( -0.010,  -0.019,   0.926)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.869, -18.372,  -0.253)  ( -1.869, -18.372,  -0.253)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.044,   0.475,   0.006)  ( -0.044,   0.475,   0.006)  ( 0.00,  0.00,  0.00)
173: 13       ( -3.814, -21.443,  -0.726)  ( -3.787, -21.414,  -0.700)  ( 0.71,  0.13,  1.87)
173:     bond    (-37.132,  -0.822,  -0.015)  (-37.114,  -0.803,   0.004)  ( 0.05,  1.54,  0.03)
173:     angle   (  8.038,  -2.248,  -1.177)  (  8.046,  -2.239,  -1.170)  ( 0.10,  0.41,  0.57)
173:     torsion (  0.005,   0.002,   0.437)  (  0.005,   0.002,   0.438)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 25.611, -18.535,   0.028)  ( 25.611, -18.535,   0.028)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.336,   0.160,   0.000)  ( -0.336,   0.160,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4acc_7yg.sdf
175:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
175:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
175:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
175:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
175:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
175:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
175:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
175:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
175:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
175:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
175:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
175:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
175:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
175:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
175:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
175:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
175:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
175:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
175:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
173: 14       ( -5.268,   4.089,  -1.753)  ( -5.240,   4.116,  -1.727)  ( 0.55,  0.68,  1.47)
173:     bond    ( 18.838, -35.431,  -0.855)  ( 18.857, -35.412,  -0.837)  ( 0.10,  0.05,  1.61)
173:     angle   ( -2.977,   9.335,  -1.958)  ( -2.968,   9.344,  -1.951)  ( 0.30,  0.09,  0.34)
173:     torsion ( -0.005,   0.011,   1.087)  ( -0.005,   0.011,   1.088)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.392,  30.685,  -0.028)  (-21.391,  30.686,  -0.028)  ( 0.01,  0.00,  0.00)
173:     electro (  0.268,  -0.512,   0.001)  (  0.268,  -0.512,   0.001)  ( 0.00,  0.00,  0.00)
173: 15       (-13.220,  31.091,   0.684)  (-13.218,  31.106,   0.684)  ( 0.01,  0.05,  0.03)
173:     bond    ( -0.154,  33.589,   0.740)  ( -0.154,  33.604,   0.740)  ( 0.00,  0.04,  0.01)
173:     angle   (-15.890,  -0.071,  -0.069)  (-15.888,  -0.071,  -0.069)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.000,  -0.001,   0.039)  ( -0.000,  -0.001,   0.039)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.026,  -0.316,   0.002)  (  1.026,  -0.316,   0.002)  ( 0.00,  0.00,  0.00)
173:     electro (  1.799,  -2.110,  -0.028)  (  1.799,  -2.110,  -0.028)  ( 0.00,  0.00,  0.00)
173: 16       ( -1.881,  -8.801,  -0.757)  ( -1.878,  -8.787,  -0.755)  ( 0.13,  0.16,  0.15)
173:     bond    ( -0.134,  -8.107,  -0.342)  ( -0.134,  -8.093,  -0.342)  ( 0.00,  0.17,  0.00)
173:     angle   (  2.859,  -0.034,  -0.321)  (  2.862,  -0.034,  -0.319)  ( 0.09,  0.00,  0.07)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.279,  -0.650,  -0.070)  ( -3.279,  -0.650,  -0.070)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.328,  -0.010,  -0.024)  ( -1.328,  -0.010,  -0.024)  ( 0.00,  0.00,  0.00)
173: 17       ( -4.370,   0.985,   5.557)  ( -4.365,   0.988,   5.567)  ( 0.11,  0.32,  0.19)
173:     bond    ( -2.662,   1.728,   4.686)  ( -2.659,   1.730,   4.695)  ( 0.12,  0.07,  0.21)
173:     angle   (  0.322,   0.016,   0.176)  (  0.323,   0.018,   0.177)  ( 0.06,  0.00,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.867,  -1.505,   0.633)  ( -0.867,  -1.504,   0.633)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.161,   0.746,   0.063)  ( -1.161,   0.746,   0.063)  ( 0.00,  0.00,  0.00)
173: 18       ( -5.504,   1.672,  -8.084)  ( -5.499,   1.676,  -8.074)  ( 0.09,  0.23,  0.12)
173:     bond    ( -3.864,   3.113,  -6.665)  ( -3.861,   3.115,  -6.656)  ( 0.08,  0.06,  0.14)
173:     angle   (  0.665,  -0.087,  -0.428)  (  0.667,  -0.086,  -0.427)  ( 0.13,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.126,  -2.162,  -0.950)  ( -1.126,  -2.162,  -0.950)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.179,   0.809,  -0.041)  ( -1.179,   0.809,  -0.041)  ( 0.00,  0.00,  0.00)
173: 19       (  2.471,   2.206,  -8.584)  (  2.474,   2.208,  -8.571)  ( 0.15,  0.13,  0.14)
173:     bond    (  2.793,   2.223,  -8.000)  (  2.794,   2.224,  -7.988)  ( 0.05,  0.04,  0.15)
173:     angle   ( -1.138,   0.137,  -0.359)  ( -1.136,   0.139,  -0.359)  ( 0.19,  0.03,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.125,  -0.749,  -0.532)  (  1.125,  -0.748,  -0.532)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.309,   0.594,   0.307)  ( -0.309,   0.594,   0.307)  ( 0.00,  0.00,  0.00)
173: 20       ( 11.893,  -3.594,   3.602)  ( 11.897,  -3.582,   3.605)  ( 0.04,  0.34,  0.07)
173:     bond    (  3.073,  -7.944,   2.047)  (  3.075,  -7.932,   2.047)  ( 0.06,  0.15,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4acd_gr9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4acf_46b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4acg_6lq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ach_kdi.sdf
175:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
175:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
175:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
175:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 12 # gradients 
175: ok 13 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ae3_aov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ael_4hn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4afe_ggy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4afj_sjj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4afz_tar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4agl_p84.sdf
173:     angle   ( -4.627,  -1.768,   0.098)  ( -4.625,  -1.767,   0.100)  ( 0.05,  0.02,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.975,   6.517,   1.574)  ( 13.975,   6.517,   1.574)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.528,  -0.400,  -0.116)  ( -0.528,  -0.400,  -0.116)  ( 0.00,  0.00,  0.00)
173: 21       (  8.288,   3.291,   8.967)  (  8.291,   3.298,   8.975)  ( 0.05,  0.23,  0.08)
173:     bond    (  3.137,   6.237,   6.237)  (  3.139,   6.244,   6.244)  ( 0.05,  0.10,  0.10)
173:     angle   ( -2.271,   0.849,   0.289)  ( -2.268,   0.850,   0.291)  ( 0.10,  0.10,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.099,  -4.775,   2.825)  (  8.099,  -4.775,   2.825)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.678,   0.980,  -0.385)  ( -0.678,   0.980,  -0.385)  ( 0.00,  0.00,  0.00)
173: 22       ( -7.209,   8.539,   9.096)  ( -7.199,   8.542,   9.103)  ( 0.13,  0.03,  0.07)
173:     bond    ( -7.592,  -0.446,   5.750)  ( -7.583,  -0.446,   5.755)  ( 0.12,  0.00,  0.09)
173:     angle   (  0.316,  -3.141,   0.173)  (  0.317,  -3.139,   0.174)  ( 0.02,  0.08,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.310,  13.218,   3.611)  (  0.310,  13.218,   3.611)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.243,  -1.091,  -0.438)  ( -0.243,  -1.091,  -0.438)  ( 0.00,  0.00,  0.00)
173: 23       (-17.717,  21.345,   8.253)  (-17.709,  21.354,   8.256)  ( 0.04,  0.04,  0.04)
173:     bond    (  6.018,   7.206,   3.106)  (  6.023,   7.213,   3.107)  ( 0.09,  0.10,  0.04)
173:     angle   (  4.963,  -4.166,   0.043)  (  4.965,  -4.165,   0.045)  ( 0.03,  0.03,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-30.269,  18.907,   5.408)  (-30.268,  18.907,   5.408)  ( 0.00,  0.00,  0.00)
173:     electro (  1.571,  -0.601,  -0.303)  (  1.571,  -0.601,  -0.303)  ( 0.00,  0.00,  0.00)
173: 24       ( -1.980,   1.683,  -7.974)  ( -1.977,   1.686,  -7.961)  ( 0.16,  0.17,  0.16)
173:     bond    ( -2.499,   1.642,  -7.703)  ( -2.498,   1.643,  -7.690)  ( 0.05,  0.03,  0.16)
173:     angle   (  0.405,  -0.575,  -0.255)  (  0.407,  -0.573,  -0.255)  ( 0.08,  0.13,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.024,   1.037,  -0.436)  ( -0.024,   1.037,  -0.436)  ( 0.00,  0.00,  0.00)
173:     electro (  0.138,  -0.421,   0.420)  (  0.138,  -0.421,   0.420)  ( 0.00,  0.00,  0.00)
173: ok 20 # gradients 
173: ok 21 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-22.308, -43.542, -24.843)  (-22.281, -43.516, -24.816)  ( 0.12,  0.06,  0.11)
173:     bond    (-14.531, -30.893,  -8.732)  (-14.514, -30.876,  -8.714)  ( 0.12,  0.06,  0.21)
173:     angle   (  2.512,  -2.285, -10.607)  (  2.522,  -2.276, -10.598)  ( 0.37,  0.38,  0.08)
173:     torsion ( -2.655,  -2.742,  -4.981)  ( -2.654,  -2.742,  -4.981)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.525,  -7.528,  -0.566)  ( -7.525,  -7.528,  -0.566)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.109,  -0.093,   0.043)  ( -0.109,  -0.093,   0.043)  ( 0.00,  0.00,  0.00)
173:  2       (-63.836,  37.192,   9.403)  (-63.808,  37.218,   9.429)  ( 0.04,  0.07,  0.28)
173:     bond    (-19.887,  31.641,  -3.832)  (-19.869,  31.659,  -3.814)  ( 0.09,  0.06,  0.46)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4agm_p86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4agn_nxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ago_p74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4agp_p51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4agq_p96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4agu_d15.sdf
175:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
175:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
175:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
175:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
175:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
175:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
175:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
175:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
175:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
175:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
175:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
175:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
175:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
175:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
175:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
175:  4       (  0.395,   0.197,   0.303)  (  0.400,   0.409,   0.172)  ( 0.21,  4.17,  3.96)
175:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
175:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
175:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
175:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
175:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
175:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
175:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
175:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
175:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
175:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
175:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
175:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
175:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
175:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
175:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
175:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
175:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4agw_ng7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ai8_dza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aiu_gc3.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aj4_vab.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajd_f04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajf_f03.sdf
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173:  6       (-77.127,  -1.074,   3.759)  (-77.090,  -1.042,   3.766)  ( 0.05,  2.99,  0.21)
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173:     electro ( -0.173,   0.445,  -0.341)  ( -0.173,   0.445,  -0.341)  ( 0.00,  0.00,  0.00)
173:  7       ( 49.490, -26.176,  -7.776)  ( 49.518, -26.148,  -7.751)  ( 0.06,  0.11,  0.33)
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173:     electro ( -0.039,   0.078,  -0.109)  ( -0.039,   0.078,  -0.109)  ( 0.00,  0.00,  0.00)
173:  8       (-35.192,  12.822,  53.744)  (-35.165,  12.849,  53.771)  ( 0.08,  0.22,  0.05)
173:     bond    (-20.989,   9.111, -28.842)  (-20.972,   9.128, -28.824)  ( 0.08,  0.19,  0.06)
173:     angle   (-25.736,  17.614,  80.518)  (-25.726,  17.623,  80.527)  ( 0.04,  0.05,  0.01)
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173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajg_f07.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajh_2b4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajj_88r.sdf
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175:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.284,  -0.843,  -2.698)  ( -0.304,  -1.685,  -2.039)  ( 0.58, 70.96, 24.42)
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175:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
175:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
175:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
175:  8       ( -2.332,   4.648,   9.846)  ( -2.311,   5.541,   9.465)  ( 0.92, 19.20,  3.87)
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175:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
175:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
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175:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
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175:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
175:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
175: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
175:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
175:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
175:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
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175:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
175:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
175:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
175:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
175:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
175:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
175:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
175: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajj_88s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajl_88w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajn_88v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajo_88n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ajw_vwn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aky_4ll.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4al4_w7e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4alg_1gh.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4alk_e9p.sdf
173:     vdw     ( 13.550, -13.548,  -1.907)  ( 13.551, -13.547,  -1.907)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.006,   0.221,   0.027)  ( -0.006,   0.221,   0.027)  ( 0.00,  0.00,  0.00)
173:  9       (  9.873,  27.136, -47.477)  (  9.901,  27.163, -47.450)  ( 0.29,  0.10,  0.06)
173:     bond    (-30.658,  30.523, -29.944)  (-30.639,  30.540, -29.927)  ( 0.06,  0.06,  0.06)
173:     angle   ( 25.853,   9.550, -23.593)  ( 25.863,   9.560, -23.584)  ( 0.04,  0.10,  0.04)
173:     torsion ( -0.469,  -3.044,  -4.166)  ( -0.469,  -3.044,  -4.166)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.131, -10.099,  10.271)  ( 15.132, -10.099,  10.271)  ( 0.00,  0.00,  0.00)
173:     electro (  0.016,   0.206,  -0.044)  (  0.016,   0.206,  -0.044)  ( 0.00,  0.00,  0.00)
173: 10       ( 28.019, -40.005,  31.486)  ( 28.044, -39.978,  31.512)  ( 0.09,  0.07,  0.09)
173:     bond    ( 34.324,  10.400,  10.514)  ( 34.340,  10.419,  10.532)  ( 0.05,  0.18,  0.18)
173:     angle   (-23.006, -37.357,  30.359)  (-22.997, -37.349,  30.367)  ( 0.04,  0.02,  0.03)
173:     torsion (  0.490,  -3.580,  -3.486)  (  0.490,  -3.580,  -3.486)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 16.479,  -9.577,  -5.866)  ( 16.479,  -9.577,  -5.866)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.268,   0.108,  -0.035)  ( -0.268,   0.108,  -0.035)  ( 0.00,  0.00,  0.00)
173: 11       ( 42.944,  -3.551,   3.573)  ( 42.971,  -3.526,   3.600)  ( 0.06,  0.72,  0.75)
173:     bond    (-22.879,  -5.120, -14.558)  (-22.860,  -5.103, -14.539)  ( 0.08,  0.33,  0.13)
173:     angle   ( 61.432,  15.137,  19.736)  ( 61.441,  15.145,  19.744)  ( 0.01,  0.06,  0.04)
173:     torsion ( -0.381,   1.027,   1.544)  ( -0.381,   1.027,   1.544)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.982, -14.918,  -3.077)  (  4.982, -14.917,  -3.077)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.210,   0.322,  -0.072)  ( -0.210,   0.322,  -0.072)  ( 0.00,  0.00,  0.00)
173: 12       (-30.929,  -4.215, -23.764)  (-30.903,  -4.185, -23.738)  ( 0.09,  0.70,  0.11)
173:     bond    (-66.490,  82.822,  23.511)  (-66.473,  82.841,  23.529)  ( 0.03,  0.02,  0.08)
173:     angle   ( 28.483, -89.468, -54.042)  ( 28.492, -89.458, -54.035)  ( 0.03,  0.01,  0.01)
173:     torsion (  1.674,   3.980,   1.439)  (  1.674,   3.980,   1.439)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.582,  -1.625,   5.322)  (  5.582,  -1.625,   5.322)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.178,   0.077,   0.006)  ( -0.178,   0.077,   0.006)  ( 0.00,  0.00,  0.00)
173: 13       (-14.876,  12.813,  29.139)  (-14.849,  12.841,  29.164)  ( 0.19,  0.21,  0.09)
173:     bond    ( 64.127, -112.790,  27.092)  ( 64.145, -112.772,  27.110)  ( 0.03,  0.02,  0.07)
173:     angle   (-82.099, 120.864,   8.835)  (-82.090, 120.873,   8.842)  ( 0.01,  0.01,  0.08)
173:     torsion ( -0.625,   3.574,  -2.102)  ( -0.625,   3.574,  -2.101)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.773,   1.285,  -4.822)  (  3.773,   1.285,  -4.822)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.051,  -0.120,   0.136)  ( -0.051,  -0.120,   0.136)  ( 0.00,  0.00,  0.00)
173: 14       (  2.250, -33.695,   6.772)  (  2.278, -33.668,   6.798)  ( 1.21,  0.08,  0.39)
173:     bond    (-77.710,  60.285, -35.054)  (-77.692,  60.303, -35.036)  ( 0.02,  0.03,  0.05)
173:     angle   ( 75.670, -103.322,  38.094)  ( 75.679, -103.314,  38.101)  ( 0.01,  0.01,  0.02)
173:     torsion (  1.249,  -0.162,   1.416)  (  1.249,  -0.161,   1.417)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.027,   9.584,   2.523)  (  3.027,   9.584,   2.523)  ( 0.00,  0.00,  0.01)
173:     electro (  0.015,  -0.080,  -0.207)  (  0.015,  -0.080,  -0.207)  ( 0.00,  0.00,  0.00)
173: 15       (-39.902,  19.803,  -0.379)  (-39.875,  19.830,  -0.353)  ( 0.07,  0.14,  0.99)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4alu_79o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4alv_r9p.sdf
175:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
175:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
175:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
175:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
175:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
175:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
175: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
175:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
175:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
175:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
175:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
175: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
175:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
175:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
175:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
175:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
175:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
175: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
175:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
175:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
175:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
175:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
175:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
175:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
175:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
175:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
175:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
175:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
175:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
175:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4alw_hy7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4alx_izn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4am8_pao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ami_g90.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4amj_cvd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aml_gyu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4an3_5y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4an9_2p7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anb_yqy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anm_wul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anp_3qi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ans_vgh.sdf
175:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
175:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
175:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
175:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
175:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
175:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
175:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
175:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
175:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
175:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
175: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
175:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
175:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
175:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
175:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
175: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
175:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
175:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
175:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
175:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
175: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
175:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
175:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
175:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
175:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
175:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
173:     bond    (  3.025, -78.820,  25.958)  (  3.043, -78.802,  25.977)  ( 0.59,  0.02,  0.07)
173:     angle   (-49.068, 110.969, -36.714)  (-49.060, 110.978, -36.707)  ( 0.02,  0.01,  0.02)
173:     torsion ( -1.503,   1.058,  -0.774)  ( -1.503,   1.059,  -0.774)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.677, -13.640,  11.362)  (  7.677, -13.639,  11.362)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.032,   0.235,  -0.211)  ( -0.032,   0.235,  -0.211)  ( 0.00,  0.00,  0.00)
173: 16       ( 31.729, -35.552,  15.159)  ( 31.757, -35.525,  15.186)  ( 0.09,  0.07,  0.17)
173:     bond    ( -1.351,  47.387, -25.784)  ( -1.333,  47.405, -25.766)  ( 1.36,  0.04,  0.07)
173:     angle   ( 33.555, -81.751,  34.045)  ( 33.564, -81.742,  34.052)  ( 0.03,  0.01,  0.02)
173:     torsion (  1.197,  -0.589,   7.374)  (  1.197,  -0.589,   7.374)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.709,  -0.821,  -0.520)  ( -1.709,  -0.821,  -0.520)  ( 0.01,  0.01,  0.00)
173:     electro (  0.038,   0.221,   0.046)  (  0.038,   0.221,   0.046)  ( 0.00,  0.00,  0.00)
173: 17       (  6.118, -32.326, -49.852)  (  6.145, -32.298, -49.826)  ( 0.43,  0.09,  0.05)
173:     bond    (-11.675, -75.819,   2.896)  (-11.658, -75.800,   2.913)  ( 0.14,  0.02,  0.61)
173:     angle   ( 12.832,  40.812, -50.366)  ( 12.841,  40.821, -50.358)  ( 0.07,  0.02,  0.02)
173:     torsion (  1.947,   1.741,  -2.677)  (  1.947,   1.741,  -2.677)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.215,   1.061,   0.274)  (  3.216,   1.061,   0.274)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.201,  -0.121,   0.021)  ( -0.201,  -0.121,   0.021)  ( 0.00,  0.00,  0.00)
173: 18       (-33.161,  52.536,  15.536)  (-33.134,  52.563,  15.562)  ( 0.08,  0.05,  0.17)
173:     bond    (  0.939,  25.907,   0.494)  (  0.957,  25.925,   0.513)  ( 1.75,  0.07,  0.92)
173:     angle   (-36.770,  12.993,  13.369)  (-36.762,  13.000,  13.376)  ( 0.02,  0.06,  0.06)
173:     torsion (  2.724,   0.710,   3.961)  (  2.724,   0.711,   3.961)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.234,  13.366,  -2.363)  ( -0.233,  13.367,  -2.363)  ( 0.01,  0.00,  0.00)
173:     electro (  0.180,  -0.440,   0.075)  (  0.180,  -0.440,   0.075)  ( 0.00,  0.00,  0.00)
173: 19       ( 37.987,   7.123,  15.649)  ( 38.014,   7.150,  15.676)  ( 0.07,  0.38,  0.17)
173:     bond    ( -0.323,   9.038,   1.714)  ( -0.305,   9.056,   1.733)  ( 0.60,  0.21,  1.08)
173:     angle   ( 26.612,  -1.957,  20.358)  ( 26.620,  -1.949,  20.366)  ( 0.03,  0.41,  0.04)
173:     torsion (  1.649,  -0.902,  -3.804)  (  1.649,  -0.902,  -3.804)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.597,   0.994,  -2.622)  ( 10.597,   0.994,  -2.622)  ( 0.00,  0.02,  0.00)
173:     electro ( -0.547,  -0.050,   0.004)  ( -0.547,  -0.050,   0.004)  ( 0.00,  0.00,  0.00)
173: 20       (-10.381,  15.215, -40.486)  (-10.354,  15.243, -40.459)  ( 0.26,  0.18,  0.07)
173:     bond    ( 10.285,  -8.664,   4.027)  ( 10.303,  -8.645,   4.045)  ( 0.18,  0.21,  0.45)
173:     angle   (  0.393,  19.206, -30.998)  (  0.400,  19.214, -30.989)  ( 0.30,  0.04,  0.03)
173:     torsion ( -3.530,  -0.913,   0.087)  ( -3.530,  -0.913,   0.087)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.801,   5.682, -13.790)  (-17.800,   5.683, -13.790)  ( 0.00,  0.01,  0.00)
173:     electro (  0.272,  -0.096,   0.188)  (  0.272,  -0.096,   0.188)  ( 0.00,  0.00,  0.00)
173: 21       ( 50.906, -23.098, -16.714)  ( 50.934, -23.072, -16.686)  ( 0.06,  0.11,  0.17)
173:     bond    (114.995,  -1.709, -14.139)  (115.014,  -1.693, -14.122)  ( 0.02,  0.96,  0.12)
173:     angle   (-67.309, -23.081,  -4.995)  (-67.299, -23.072,  -4.984)  ( 0.01,  0.04,  0.20)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anu_em7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anv_751.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anw_o92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anx_534.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aof_7l0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aoi_4k0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aoj_v4z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aot_gw8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ap7_f47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4app_n53.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4apu_a2k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aq3_398.sdf
175:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
175:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
175:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
175:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
175:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
175:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
175:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
175:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
175:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
175:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
175:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
175:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
175:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
175:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
175:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
175:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
175:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
175:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
175:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
175:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
175:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
175:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
175:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
175:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
175:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aqc_88a.sdf
173:     torsion ( -2.620,  -2.152,   2.914)  ( -2.620,  -2.152,   2.915)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.715,   3.885,  -0.499)  (  5.715,   3.886,  -0.499)  ( 0.00,  0.00,  0.00)
173:     electro (  0.125,  -0.041,   0.005)  (  0.125,  -0.041,   0.005)  ( 0.00,  0.00,  0.00)
173: 22       (-16.148,  23.784,  55.343)  (-16.122,  23.811,  55.371)  ( 0.17,  0.11,  0.05)
173:     bond    (  5.914, -13.650, -25.328)  (  5.932, -13.632, -25.309)  ( 0.31,  0.13,  0.07)
173:     angle   (-16.459,  16.679,  60.398)  (-16.451,  16.687,  60.406)  ( 0.05,  0.05,  0.01)
173:     torsion (  0.827,  -1.949,   1.055)  (  0.827,  -1.949,   1.055)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.533,  22.878,  19.525)  ( -6.533,  22.879,  19.525)  ( 0.01,  0.00,  0.00)
173:     electro (  0.103,  -0.174,  -0.307)  (  0.103,  -0.174,  -0.307)  ( 0.00,  0.00,  0.00)
173: 23       (  1.239,  24.267, -60.315)  (  1.266,  24.294, -60.288)  ( 2.16,  0.11,  0.04)
173:     bond    (-32.251, -19.993,   7.102)  (-32.234, -19.975,   7.120)  ( 0.06,  0.09,  0.26)
173:     angle   ( 42.431,  23.788, -56.689)  ( 42.440,  23.797, -56.680)  ( 0.02,  0.04,  0.01)
173:     torsion ( -0.297,   6.929,  -1.857)  ( -0.297,   6.929,  -1.856)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.931,  13.671,  -9.129)  ( -8.931,  13.672,  -9.129)  ( 0.00,  0.00,  0.00)
173:     electro (  0.288,  -0.129,   0.257)  (  0.288,  -0.129,   0.257)  ( 0.00,  0.00,  0.00)
173: 24       (-42.391,  41.088,   4.587)  (-42.363,  41.115,   4.614)  ( 0.07,  0.07,  0.57)
173:     bond    ( 38.562, -24.577, -11.848)  ( 38.580, -24.559, -11.830)  ( 0.05,  0.08,  0.15)
173:     angle   (-65.211,  51.416,  37.818)  (-65.202,  51.425,  37.826)  ( 0.01,  0.02,  0.02)
173:     torsion ( -4.487,   2.988,   1.987)  ( -4.486,   2.988,   1.988)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.129,  11.373, -23.582)  (-11.129,  11.373, -23.581)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.126,  -0.112,   0.211)  ( -0.126,  -0.112,   0.211)  ( 0.00,  0.00,  0.00)
173: 25       (-28.101, -61.144, -25.772)  (-28.073, -61.115, -25.745)  ( 0.10,  0.05,  0.10)
173:     bond    (-98.484, -40.750,  51.097)  (-98.467, -40.731,  51.115)  ( 0.02,  0.05,  0.04)
173:     angle   ( 73.204, -34.175, -58.194)  ( 73.213, -34.166, -58.186)  ( 0.01,  0.03,  0.01)
173:     torsion (  2.203,  -2.710, -10.758)  (  2.203,  -2.710, -10.758)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.869,  16.592,  -7.909)  ( -4.869,  16.592,  -7.909)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.154,  -0.101,  -0.008)  ( -0.154,  -0.101,  -0.008)  ( 0.00,  0.00,  0.00)
173: 26       ( 35.161, -13.615,  -7.818)  ( 35.190, -13.587,  -7.791)  ( 0.08,  0.21,  0.34)
173:     bond    (103.369,   5.170, -50.791)  (103.386,   5.189, -50.773)  ( 0.02,  0.35,  0.04)
173:     angle   (-63.196, -26.589,  42.786)  (-63.185, -26.580,  42.794)  ( 0.02,  0.03,  0.02)
173:     torsion ( -1.603,  -0.711,   1.139)  ( -1.603,  -0.710,   1.140)  ( 0.01,  0.03,  0.08)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.485,   8.521,  -0.920)  ( -3.485,   8.521,  -0.920)  ( 0.01,  0.00,  0.00)
173:     electro (  0.076,  -0.007,  -0.032)  (  0.076,  -0.007,  -0.032)  ( 0.00,  0.00,  0.00)
173: 27       (-14.837,  26.774,  43.062)  (-14.810,  26.801,  43.089)  ( 0.18,  0.10,  0.06)
173:     bond    (  4.117, -17.524, -19.432)  (  4.135, -17.505, -19.413)  ( 0.44,  0.11,  0.10)
173:     angle   (-13.628,  41.763,  43.917)  (-13.620,  41.771,  43.925)  ( 0.06,  0.02,  0.02)
173:     torsion ( -0.358,  -1.930,   0.806)  ( -0.357,  -1.930,   0.806)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.096,   4.534,  18.317)  ( -5.096,   4.534,  18.318)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aqh_tb7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aqk_i6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aql_txc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ara_c56.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4arb_c57.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ark_m3k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4as7_6lx.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       ( 48.033, 132.616, -33.392)  ( 48.055, 132.620, -33.383)  ( 0.05,  0.00,  0.03)
174:     bond    ( 52.153,   0.195, -26.552)  ( 52.176,   0.195, -26.546)  ( 0.04,  0.01,  0.02)
174:     angle   ( -4.570, 133.610,  -8.002)  ( -4.569, 133.613,  -7.999)  ( 0.02,  0.00,  0.03)
174:     torsion ( -0.007,   0.002,  -0.014)  ( -0.007,   0.002,  -0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.456,  -1.191,   1.177)  (  0.456,  -1.191,   1.177)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( 67.190,  61.826,  20.295)  ( 67.195,  61.834,  20.318)  ( 0.01,  0.01,  0.11)
174:     bond    ( 10.644,  23.335,  49.973)  ( 10.645,  23.340,  49.996)  ( 0.01,  0.02,  0.04)
174:     angle   ( 56.121,  38.461, -29.908)  ( 56.125,  38.464, -29.907)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.016,   0.008,  -0.000)  ( -0.016,   0.008,  -0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.441,   0.023,   0.229)  (  0.442,   0.023,   0.229)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       ( 96.003,  97.427, -55.295)  ( 96.013,  97.441, -55.284)  ( 0.01,  0.02,  0.02)
174:     bond    (-24.478,  34.857, -28.158)  (-24.471,  34.870, -28.149)  ( 0.03,  0.04,  0.03)
174:     angle   (121.516,  63.126, -27.444)  (121.519,  63.128, -27.442)  ( 0.00,  0.00,  0.01)
174:     torsion ( -0.027,   0.017,   0.045)  ( -0.027,   0.017,   0.045)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.008,  -0.574,   0.262)  ( -1.008,  -0.574,   0.262)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 16 # gradients 
174: ok 17 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (763.591, 211.175, -129.938)  (763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, 208.396, -131.774)  (760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,   0.202,  -0.114)  ( -0.445,   0.212,  -0.107)  ( 0.38,  0.20,  0.07)
174:     torsion ( -0.043,   0.042,   0.071)  ( -0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.603,   2.535,   1.878)  (  3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( -0.090, 681.819, -423.091)  ( -0.000, 681.921, -423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, 677.006, -423.243)  (  0.000, 677.098, -423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,   0.072,  -0.295)  ( -0.000,   0.082,  -0.291)  ( 0.01,  0.07,  0.12)
174:     torsion ( -0.001,  -0.016,  -0.052)  ( -0.000,  -0.015,  -0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,   4.757,   0.499)  (  0.000,   4.757,   0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.090, -682.022, -423.091)  ( -0.000, -681.921, -423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, -677.189, -423.243)  (  0.000, -677.098, -423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,  -0.091,  -0.295)  ( -0.000,  -0.082,  -0.291)  ( 0.01,  0.09,  0.12)
174:     torsion ( -0.001,   0.015,  -0.052)  (  0.000,   0.015,  -0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,  -4.757,   0.499)  ( -0.000,  -4.757,   0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (763.591, -211.337, -129.938)  (763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, -208.536, -131.774)  (760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,  -0.222,  -0.114)  ( -0.445,  -0.212,  -0.107)  ( 0.38,  0.22,  0.07)
174:     torsion ( -0.043,  -0.044,   0.071)  ( -0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
175:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
175:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
175:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
175:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
175:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
175:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
175:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
175: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
175:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
175:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
175:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
175:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
175:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
175:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
175: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
175:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
175:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
175:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
175:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
175:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
175:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
175:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
175:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
175:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
175: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
175:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
175:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4as9_4qs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4asa_59c.sdf
173:     electro (  0.128,  -0.069,  -0.547)  (  0.128,  -0.069,  -0.547)  ( 0.00,  0.00,  0.00)
173: 28       (  8.497,  -0.257,  -5.188)  (  8.512,  -0.251,  -5.172)  ( 0.18,  0.15,  0.31)
173:     bond    ( 14.780,   7.587,   0.109)  ( 14.794,   7.591,   0.120)  ( 0.09,  0.05,  0.12)
173:     angle   ( -1.698,   5.503,  -0.586)  ( -1.696,   5.505,  -0.581)  ( 0.07,  0.03,  0.28)
173:     torsion (  3.366,  -7.648,  -0.412)  (  3.366,  -7.648,  -0.412)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.291,  -7.560,  -4.551)  ( -9.291,  -7.560,  -4.551)  ( 0.00,  0.00,  0.00)
173:     electro (  1.340,   1.861,   0.252)  (  1.340,   1.861,   0.252)  ( 0.00,  0.00,  0.00)
173: 29       (  1.135,   9.164,  22.858)  (  1.139,   9.169,  22.870)  ( 0.29,  0.05,  0.05)
173:     bond    ( -5.112,  12.768,  26.865)  ( -5.112,  12.770,  26.876)  ( 0.01,  0.02,  0.04)
173:     angle   ( -1.676,  -6.965,   2.989)  ( -1.674,  -6.963,   2.990)  ( 0.14,  0.03,  0.02)
173:     torsion (  5.386,   0.895,   0.599)  (  5.386,   0.895,   0.599)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.489,   2.748,  -7.812)  (  2.489,   2.748,  -7.812)  ( 0.01,  0.01,  0.00)
173:     electro (  0.049,  -0.281,   0.216)  (  0.049,  -0.281,   0.216)  ( 0.00,  0.00,  0.00)
173: 30       (  6.513,  -5.402, -14.742)  (  6.517,  -5.398, -14.729)  ( 0.06,  0.07,  0.09)
173:     bond    (  2.161,  -3.150, -10.451)  (  2.161,  -3.149, -10.438)  ( 0.03,  0.04,  0.12)
173:     angle   ( -5.037,   5.760,  -2.781)  ( -5.035,   5.763,  -2.781)  ( 0.05,  0.04,  0.01)
173:     torsion ( -3.391,   1.961,  -1.294)  ( -3.391,   1.961,  -1.294)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.958, -10.001,  -0.088)  ( 12.958, -10.000,  -0.088)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.177,   0.028,  -0.128)  ( -0.177,   0.028,  -0.128)  ( 0.00,  0.00,  0.00)
173: 31       ( -1.275,   8.846,  19.336)  ( -1.272,   8.850,  19.349)  ( 0.27,  0.05,  0.07)
173:     bond    ( -5.210,   9.256,  28.211)  ( -5.210,   9.257,  28.223)  ( 0.01,  0.02,  0.04)
173:     angle   ( -2.481,   7.776,  -3.009)  ( -2.479,   7.778,  -3.009)  ( 0.10,  0.03,  0.01)
173:     torsion (  3.362,   4.451,  -0.839)  (  3.362,   4.451,  -0.839)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.174, -12.636,  -4.980)  (  3.174, -12.636,  -4.979)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.120,  -0.000,  -0.047)  ( -0.120,  -0.000,  -0.047)  ( 0.00,  0.00,  0.00)
173: 32       ( 14.674,  13.014,   6.241)  ( 14.677,  13.019,   6.252)  ( 0.02,  0.04,  0.19)
173:     bond    ( -2.053,   4.526,   9.293)  ( -2.053,   4.528,   9.304)  ( 0.03,  0.06,  0.12)
173:     angle   (  8.651,   6.694,  -1.351)  (  8.653,   6.696,  -1.350)  ( 0.03,  0.03,  0.04)
173:     torsion (  6.608,   2.848,   0.072)  (  6.609,   2.848,   0.072)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.573,  -1.248,  -1.048)  ( -0.573,  -1.248,  -1.048)  ( 0.00,  0.00,  0.00)
173:     electro (  2.041,   0.195,  -0.725)  (  2.041,   0.195,  -0.725)  ( 0.00,  0.00,  0.00)
173: 33       ( 18.911,  -3.943,   2.356)  ( 18.918,  -3.940,   2.365)  ( 0.04,  0.07,  0.38)
173:     bond    ( 10.734,  -2.576,  12.310)  ( 10.740,  -2.575,  12.317)  ( 0.06,  0.02,  0.06)
173:     angle   ( 11.242,  -4.178, -10.677)  ( 11.243,  -4.176, -10.676)  ( 0.01,  0.06,  0.01)
173:     torsion ( -1.546,   0.545,   1.461)  ( -1.546,   0.545,   1.461)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.573,   2.028,  -1.039)  ( -1.573,   2.028,  -1.039)  ( 0.00,  0.00,  0.00)
173:     electro (  0.054,   0.239,   0.301)  (  0.054,   0.239,   0.301)  ( 0.00,  0.00,  0.00)
173: 34       ( 17.221,  -5.670,  -5.070)  ( 17.226,  -5.666,  -5.060)  ( 0.03,  0.08,  0.20)
173:     bond    (  6.265,  -5.629, -11.470)  (  6.267,  -5.627, -11.461)  ( 0.04,  0.04,  0.08)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4asb_8to.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ase_av9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4asf_62u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4asg_814.sdf
175:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
175:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
175: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
175:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
175:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
175:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
175: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
175:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
175:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
175:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
175:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
175: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
175:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
175:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
175:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
175:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
175: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
175:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
175:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
175:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
175:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
175: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
175:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
175:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
175:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ask_k0i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4asx_6oj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4at3_lti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4at4_t6e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4at5_muj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4att_hnv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4au8_z3r.sdf
173:     angle   ( 19.085,  -3.007,  11.912)  ( 19.087,  -3.005,  11.913)  ( 0.01,  0.07,  0.01)
173:     torsion (  3.429,  -0.923,   2.328)  (  3.429,  -0.923,   2.328)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.595,   4.208,  -8.007)  (-11.595,   4.208,  -8.007)  ( 0.00,  0.00,  0.00)
173:     electro (  0.037,  -0.319,   0.167)  (  0.037,  -0.319,   0.167)  ( 0.00,  0.00,  0.00)
173: 35       ( -0.153,   2.884,  15.147)  ( -0.149,   2.888,  15.159)  ( 0.06,  0.12,  0.08)
173:     bond    ( -5.651,   5.533,  15.742)  ( -5.650,   5.534,  15.753)  ( 0.03,  0.03,  0.07)
173:     angle   (  8.976,  -0.225,   3.298)  (  8.979,  -0.223,   3.298)  ( 0.03,  0.04,  0.01)
173:     torsion (  0.041,  -3.843,   1.365)  (  0.041,  -3.843,   1.365)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.628,   1.379,  -5.426)  ( -3.628,   1.379,  -5.426)  ( 0.01,  0.00,  0.00)
173:     electro (  0.109,   0.040,   0.169)  (  0.109,   0.040,   0.169)  ( 0.00,  0.00,  0.00)
173: 36       (  5.573, -10.443,   1.601)  (  5.576, -10.429,   1.603)  ( 0.06,  0.13,  0.16)
173:     bond    (  2.447, -12.323,   1.178)  (  2.448, -12.309,   1.178)  ( 0.02,  0.11,  0.02)
173:     angle   (  9.835,   2.579,   6.502)  (  9.837,   2.579,   6.504)  ( 0.02,  0.01,  0.03)
173:     torsion (  1.139,   0.057,  -1.770)  (  1.139,   0.057,  -1.770)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.878,  -0.677,  -4.353)  ( -7.878,  -0.677,  -4.353)  ( 0.00,  0.00,  0.00)
173:     electro (  0.030,  -0.079,   0.042)  (  0.030,  -0.079,   0.042)  ( 0.00,  0.00,  0.00)
173: 37       (  2.702,  11.065, -14.075)  (  2.706,  11.068, -14.063)  ( 0.15,  0.02,  0.09)
173:     bond    (  5.434,  -1.965, -15.059)  (  5.436,  -1.965, -15.047)  ( 0.03,  0.01,  0.08)
173:     angle   ( -6.922,   9.749,  -3.773)  ( -6.920,   9.751,  -3.773)  ( 0.03,  0.02,  0.01)
173:     torsion ( -1.385,   6.532,  -1.353)  ( -1.385,   6.532,  -1.353)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.021,  -3.169,   6.271)  (  6.021,  -3.169,   6.271)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.447,  -0.082,  -0.161)  ( -0.447,  -0.082,  -0.161)  ( 0.00,  0.00,  0.00)
173: 38       (  6.424,  19.193,   1.053)  (  6.427,  19.207,   1.056)  ( 0.05,  0.07,  0.22)
173:     bond    ( -3.922,  19.838,   1.549)  ( -3.921,  19.851,   1.549)  ( 0.02,  0.07,  0.01)
173:     angle   ( 18.258,   4.139,  -6.820)  ( 18.260,   4.139,  -6.818)  ( 0.01,  0.00,  0.03)
173:     torsion ( -1.009,  -0.621,   5.406)  ( -1.009,  -0.621,   5.406)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.486,  -4.338,   0.616)  ( -6.486,  -4.338,   0.616)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.416,   0.175,   0.302)  ( -0.416,   0.175,   0.302)  ( 0.00,  0.00,  0.00)
173: 39       (  2.389,  11.625,   2.946)  (  2.393,  11.639,   2.948)  ( 0.16,  0.12,  0.06)
173:     bond    ( -0.674,  12.590,  -2.228)  ( -0.674,  12.604,  -2.228)  ( 0.01,  0.11,  0.02)
173:     angle   ( -3.946,  -0.319,  -0.610)  ( -3.943,  -0.319,  -0.610)  ( 0.08,  0.00,  0.00)
173:     torsion ( -0.192,   0.884,   5.056)  ( -0.192,   0.884,   5.057)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.973,  -1.258,   0.526)  (  6.973,  -1.258,   0.526)  ( 0.00,  0.00,  0.00)
173:     electro (  0.229,  -0.271,   0.203)  (  0.229,  -0.271,   0.203)  ( 0.00,  0.00,  0.00)
173: 40       (  0.317,   6.239, -12.048)  (  0.323,   6.243, -12.038)  ( 0.18,  0.06,  0.08)
173:     bond    ( -6.745,   3.732, -10.241)  ( -6.741,   3.733, -10.232)  ( 0.06,  0.03,  0.09)
173:     angle   (  4.852,   4.160,  -1.680)  (  4.853,   4.163,  -1.679)  ( 0.03,  0.06,  0.04)
173:     torsion (  2.807,   2.075,  -1.093)  (  2.807,   2.075,  -1.093)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aua_4au.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4auj_hnw.sdf
175: 40       ( -0.101,   0.325,   0.544)  ( -0.076,   0.526,   0.340)  ( 0.26,  6.53, 11.09)
175:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
175:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
175:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
175:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
175: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
175:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
175:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
175:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
175:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
175: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
175:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
175:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
175:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
175:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
175: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
175:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
175:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
175:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
175: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
175:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
175:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
175:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
175:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
175:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
175: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
175:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
175:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
175:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
174:     vdw     (  3.603,  -2.535,   1.878)  (  3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-341.903, 475.989, -552.554)  (-341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, 473.237, -551.537)  (-337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   ( -0.043,   0.489,   0.094)  ( -0.035,   0.499,   0.101)  ( 0.03,  0.50,  0.06)
174:     torsion (  0.040,   0.033,  -0.048)  (  0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,   2.230,  -1.064)  ( -4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-341.903, -476.173, -552.554)  (-341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, -473.399, -551.537)  (-337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   ( -0.043,  -0.509,   0.094)  ( -0.035,  -0.499,   0.101)  ( 0.03,  0.52,  0.06)
174:     torsion (  0.040,  -0.034,  -0.048)  (  0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,  -2.230,  -1.064)  ( -4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-763.780, 211.175, -129.938)  (-763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, 208.396, -131.774)  (-760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,   0.202,  -0.114)  (  0.445,   0.212,  -0.107)  ( 0.37,  0.20,  0.07)
174:     torsion (  0.042,   0.042,   0.071)  (  0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,   2.535,   1.878)  ( -3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-763.780, -211.337, -129.938)  (-763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, -208.536, -131.774)  (-760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,  -0.222,  -0.114)  (  0.445,  -0.212,  -0.107)  ( 0.37,  0.22,  0.07)
174:     torsion (  0.042,  -0.044,   0.071)  (  0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,  -2.535,   1.878)  ( -3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (475.989, 552.444, 341.770)  (476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (473.237, 551.443, 337.686)  (473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,  -0.107,   0.027)  (  0.499,  -0.101,   0.035)  ( 0.50,  0.07,  0.02)
174:     torsion (  0.033,   0.045,  -0.041)  (  0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,   1.064,   4.099)  (  2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (129.863, 763.591, 211.175)  (129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, 760.485, 208.396)  (131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,  -0.453,   0.202)  (  0.107,  -0.445,   0.212)  ( 0.06,  0.38,  0.20)
174:     torsion ( -0.074,  -0.043,   0.042)  ( -0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,   3.603,   2.535)  ( -1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (129.863, -763.780, 211.175)  (129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, -760.656, 208.396)  (131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,   0.436,   0.202)  (  0.107,   0.445,   0.212)  ( 0.06,  0.37,  0.20)
174:     torsion ( -0.074,   0.042,   0.042)  ( -0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,  -3.603,   2.535)  ( -1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (475.989, -552.554, 341.770)  (476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aux_xtc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4av4_fvq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4av5_fyz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4avg_sl6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4avh_fk9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4avi_xns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4avj_j73.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4avv_ghe.sdf
173:     vdw     ( -0.707,  -3.828,   0.904)  ( -0.707,  -3.828,   0.904)  ( 0.00,  0.00,  0.00)
173:     electro (  0.110,   0.099,   0.061)  (  0.110,   0.099,   0.061)  ( 0.00,  0.00,  0.00)
173: 41       ( -2.273,  10.453,   6.209)  ( -2.268,  10.457,   6.219)  ( 0.24,  0.04,  0.16)
173:     bond    ( -5.788,   3.588,   9.319)  ( -5.784,   3.590,   9.329)  ( 0.06,  0.04,  0.10)
173:     angle   (  8.488,  16.065,  -0.919)  (  8.490,  16.067,  -0.919)  ( 0.02,  0.01,  0.07)
173:     torsion ( -3.730,  -1.289,  -1.817)  ( -3.730,  -1.289,  -1.817)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.346,  -7.951,  -0.446)  ( -1.346,  -7.950,  -0.446)  ( 0.00,  0.00,  0.00)
173:     electro (  0.103,   0.039,   0.071)  (  0.103,   0.039,   0.071)  ( 0.00,  0.00,  0.00)
173: 42       ( -3.377,   4.884,  -9.057)  ( -3.374,   4.887,  -9.044)  ( 0.09,  0.05,  0.15)
173:     bond    (  1.963,   0.521, -10.197)  (  1.964,   0.521, -10.183)  ( 0.03,  0.00,  0.13)
173:     angle   ( -9.996,   8.198,  -1.508)  ( -9.994,   8.200,  -1.507)  ( 0.02,  0.03,  0.01)
173:     torsion ( -0.144,   6.172,   0.288)  ( -0.145,   6.172,   0.288)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.858,  -9.999,   2.352)  (  4.858,  -9.999,   2.352)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.058,  -0.008,   0.007)  ( -0.058,  -0.008,   0.007)  ( 0.00,  0.00,  0.00)
173: 43       ( -3.105,   8.144,  -3.972)  ( -3.101,   8.156,  -3.969)  ( 0.14,  0.14,  0.08)
173:     bond    ( -3.568,   8.130,   2.505)  ( -3.565,   8.141,   2.507)  ( 0.06,  0.14,  0.04)
173:     angle   (  1.193,   4.827, -13.981)  (  1.195,   4.828, -13.979)  ( 0.17,  0.01,  0.02)
173:     torsion ( -2.182,  -2.621,   5.410)  ( -2.182,  -2.621,   5.410)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.453,  -2.137,   2.022)  (  1.453,  -2.137,   2.022)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.001,  -0.054,   0.073)  ( -0.001,  -0.054,   0.073)  ( 0.00,  0.00,  0.00)
173: 44       (-10.784,   4.905,  -2.290)  (-10.780,   4.909,  -2.279)  ( 0.03,  0.09,  0.48)
173:     bond    ( -1.245,  -1.494,  -3.293)  ( -1.244,  -1.492,  -3.283)  ( 0.12,  0.15,  0.32)
173:     angle   ( -7.495,  16.263,  -4.553)  ( -7.493,  16.265,  -4.552)  ( 0.03,  0.01,  0.01)
173:     torsion ( -3.199,  -2.788,   2.479)  ( -3.199,  -2.788,   2.479)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.131,  -7.171,   3.119)  (  1.131,  -7.171,   3.119)  ( 0.01,  0.00,  0.00)
173:     electro (  0.025,   0.096,  -0.043)  (  0.025,   0.096,  -0.043)  ( 0.00,  0.00,  0.00)
173: 45       ( -5.582,   7.292,   6.953)  ( -5.572,   7.295,   6.958)  ( 0.18,  0.05,  0.08)
173:     bond    (-10.157,   4.382,   6.381)  (-10.148,   4.383,   6.385)  ( 0.09,  0.04,  0.06)
173:     angle   ( -1.443,  -0.968,  -1.632)  ( -1.443,  -0.966,  -1.630)  ( 0.06,  0.20,  0.11)
173:     torsion (  2.298,   4.300,   0.702)  (  2.298,   4.299,   0.701)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.614,  -0.509,   1.475)  (  3.614,  -0.509,   1.475)  ( 0.00,  0.01,  0.00)
173:     electro (  0.107,   0.087,   0.027)  (  0.107,   0.087,   0.027)  ( 0.00,  0.00,  0.00)
173: 46       (  1.502,  -2.484,  22.995)  (  1.505,  -2.479,  23.008)  ( 0.19,  0.19,  0.06)
173:     bond    ( -3.493,   9.127,  26.544)  ( -3.492,   9.129,  26.556)  ( 0.01,  0.02,  0.05)
173:     angle   ( -3.216,   8.998,  -3.517)  ( -3.214,   9.000,  -3.516)  ( 0.07,  0.03,  0.01)
173:     torsion (  1.122,  -6.958,   2.539)  (  1.122,  -6.958,   2.539)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.029, -13.585,  -2.478)  (  7.029, -13.584,  -2.478)  ( 0.00,  0.01,  0.00)
173:     electro (  0.060,  -0.066,  -0.093)  (  0.060,  -0.066,  -0.093)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
175:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
175:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
175: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
175:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
175:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
175:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
175: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
175:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
175:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
175:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
175:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
175:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
175:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
175:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
175:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
175:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
175:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
175:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
175:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4avx_itp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aw0_mjf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aw1_21o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aw2_22e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aw3_myv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aw5_30k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4awg_ci3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4awi_aq2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4awk_ci1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ax9_n5n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4axa_rkd.sdf
175:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
175:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
175:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
175:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
175:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
175:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
175:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
175:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
175:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
175:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
175:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
175:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
173: 47       ( 12.368,  -4.506,  -9.860)  ( 12.376,  -4.499,  -9.853)  ( 0.06,  0.14,  0.07)
173:     bond    (  3.308,  -3.151,  -3.452)  (  3.313,  -3.147,  -3.447)  ( 0.14,  0.14,  0.15)
173:     angle   ( -8.806, -11.034,   1.609)  ( -8.804, -11.032,   1.611)  ( 0.02,  0.02,  0.09)
173:     torsion (  0.935,  -1.718,   2.467)  (  0.935,  -1.718,   2.467)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 17.166,  11.473, -10.633)  ( 17.167,  11.474, -10.632)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.235,  -0.076,   0.149)  ( -0.235,  -0.076,   0.149)  ( 0.00,  0.00,  0.00)
173: 48       ( -8.697,   6.010,  -3.440)  ( -8.690,   6.018,  -3.435)  ( 0.08,  0.12,  0.15)
173:     bond    ( -5.745,   6.100,   4.627)  ( -5.740,   6.106,   4.630)  ( 0.09,  0.09,  0.07)
173:     angle   ( -1.120,   0.588,  -2.166)  ( -1.118,   0.590,  -2.164)  ( 0.15,  0.08,  0.07)
173:     torsion ( -2.382,   2.622,  -6.411)  ( -2.382,   2.622,  -6.411)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.557,  -3.149,   0.414)  (  0.557,  -3.149,   0.414)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.007,  -0.151,   0.096)  ( -0.007,  -0.151,   0.096)  ( 0.00,  0.00,  0.00)
173: 49       (  4.913,  -4.170, -18.999)  (  4.916,  -4.167, -18.986)  ( 0.05,  0.08,  0.07)
173:     bond    ( -1.163,   3.976, -17.396)  ( -1.163,   3.976, -17.383)  ( 0.01,  0.02,  0.08)
173:     angle   ( -1.866,  -8.632,  -1.849)  ( -1.864,  -8.630,  -1.849)  ( 0.13,  0.03,  0.01)
173:     torsion (  4.281,  -3.420,  -1.069)  (  4.281,  -3.420,  -1.069)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.684,   4.030,   1.201)  (  3.684,   4.030,   1.201)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.022,  -0.124,   0.114)  ( -0.022,  -0.124,   0.114)  ( 0.00,  0.00,  0.00)
173: 50       ( -2.928,  -5.591, -15.480)  ( -2.923,  -5.584, -15.471)  ( 0.15,  0.12,  0.05)
173:     bond    (  5.810,  -8.644, -10.914)  (  5.813,  -8.639, -10.907)  ( 0.04,  0.05,  0.07)
173:     angle   ( -1.237,   2.617,  -2.734)  ( -1.235,   2.619,  -2.733)  ( 0.17,  0.06,  0.04)
173:     torsion ( -3.418,   2.575,  -3.861)  ( -3.418,   2.575,  -3.861)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.067,  -2.271,   2.010)  ( -4.067,  -2.271,   2.010)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.016,   0.132,   0.019)  ( -0.016,   0.132,   0.019)  ( 0.00,  0.00,  0.00)
173: 51       ( 19.616,  -0.297,   9.656)  ( 19.620,  -0.292,   9.667)  ( 0.02,  0.13,  0.12)
173:     bond    ( -1.047,   1.371,  -3.118)  ( -1.046,   1.373,  -3.107)  ( 0.12,  0.15,  0.35)
173:     angle   (-19.284, -11.124,   1.573)  (-19.282, -11.122,   1.574)  ( 0.01,  0.02,  0.03)
173:     torsion (  4.242,  -4.702,  -3.506)  (  4.242,  -4.702,  -3.506)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 35.747,  14.123,  14.700)  ( 35.748,  14.124,  14.700)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.042,   0.035,   0.006)  ( -0.042,   0.035,   0.006)  ( 0.00,  0.00,  0.00)
173: 52       (-13.704,   6.920,  -1.069)  (-13.701,   6.923,  -1.057)  ( 0.03,  0.05,  1.14)
173:     bond    ( -3.332,   2.481,  -9.253)  ( -3.330,   2.482,  -9.241)  ( 0.05,  0.04,  0.13)
173:     angle   ( -2.775,   9.142,   3.455)  ( -2.773,   9.144,   3.455)  ( 0.08,  0.02,  0.01)
173:     torsion ( -4.300,   1.076,   1.838)  ( -4.300,   1.076,   1.838)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.362,  -5.634,   2.789)  ( -3.362,  -5.634,   2.789)  ( 0.00,  0.00,  0.00)
173:     electro (  0.065,  -0.146,   0.101)  (  0.065,  -0.146,   0.101)  ( 0.00,  0.00,  0.00)
173: 53       ( -6.772,   4.115,  19.114)  ( -6.767,   4.123,  19.121)  ( 0.07,  0.20,  0.04)
173:     bond    ( -7.768,  13.770,  12.651)  ( -7.765,  13.777,  12.656)  ( 0.03,  0.05,  0.04)
173:     angle   ( -6.357,  -8.669,   5.534)  ( -6.355,  -8.668,   5.535)  ( 0.03,  0.02,  0.02)
174:     bond    (473.237, -551.537, 337.686)  (473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,   0.094,   0.027)  (  0.499,   0.101,   0.035)  ( 0.50,  0.06,  0.02)
174:     torsion (  0.033,  -0.048,  -0.041)  (  0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,  -1.064,   4.099)  (  2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (552.444, -341.903, -476.173)  (552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (551.443, -337.801, -473.399)  (551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   ( -0.107,  -0.043,  -0.509)  ( -0.101,  -0.035,  -0.499)  ( 0.07,  0.03,  0.52)
174:     torsion (  0.045,   0.040,  -0.034)  (  0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.064,  -4.099,  -2.230)  (  1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (-211.337, 129.863, -763.780)  (-211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (-208.536, 131.714, -760.656)  (-208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
174:     angle   ( -0.222,   0.101,   0.436)  ( -0.212,   0.107,   0.445)  ( 0.22,  0.06,  0.37)
174:     torsion ( -0.044,  -0.074,   0.042)  ( -0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.535,  -1.879,  -3.603)  ( -2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (552.444, -341.903, 475.989)  (552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (551.443, -337.801, 473.237)  (551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
174:     angle   ( -0.107,  -0.043,   0.489)  ( -0.101,  -0.035,   0.499)  ( 0.07,  0.03,  0.50)
174:     torsion (  0.045,   0.040,   0.033)  (  0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.064,  -4.099,   2.230)  (  1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (-682.022, 423.048,  -0.090)  (-681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
174:     bond    (-677.189, 423.212,  -0.078)  (-677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
174:     angle   ( -0.091,   0.287,  -0.011)  ( -0.082,   0.291,   0.000)  ( 0.09,  0.11,  0.01)
174:     torsion (  0.015,   0.048,  -0.001)  (  0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -4.757,  -0.499,  -0.000)  ( -4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (341.770, -476.173, -552.554)  (341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, -473.399, -551.537)  (337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,  -0.509,   0.094)  (  0.035,  -0.499,   0.101)  ( 0.02,  0.52,  0.06)
174:     torsion ( -0.041,  -0.034,  -0.048)  ( -0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,  -2.230,  -1.064)  (  4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-476.173, 552.444, 341.770)  (-476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, 551.443, 337.686)  (-473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,  -0.107,   0.027)  ( -0.499,  -0.101,   0.035)  ( 0.52,  0.07,  0.02)
174:     torsion ( -0.034,   0.045,  -0.041)  ( -0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.230,   1.064,   4.099)  ( -2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       (-211.337, 129.863, 763.591)  (-211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (-208.536, 131.714, 760.485)  (-208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
174:     angle   ( -0.222,   0.101,  -0.453)  ( -0.212,   0.107,  -0.445)  ( 0.22,  0.06,  0.38)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4axb_fp1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4axf_4my.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ayu_n8p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4az0_s61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4az3_s35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4az7_log.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4azc_ngw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4azm_t4b.sdf
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
175:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
175:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
175:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
175:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
175:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
175:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
175:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
175:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
175:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
175:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
175:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
175:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
175:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
175:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
173:     torsion (  3.944,   1.224,   1.087)  (  3.944,   1.224,   1.087)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.332,  -2.032,  -0.117)  (  3.332,  -2.032,  -0.117)  ( 0.00,  0.01,  0.00)
173:     electro (  0.077,  -0.179,  -0.041)  (  0.077,  -0.179,  -0.041)  ( 0.00,  0.00,  0.00)
173: 54       ( -9.251,  -2.073,  15.373)  ( -9.249,  -2.071,  15.387)  ( 0.03,  0.14,  0.09)
173:     bond    ( -1.729,   0.440,  19.656)  ( -1.729,   0.440,  19.670)  ( 0.01,  0.00,  0.07)
173:     angle   ( -0.508,  -2.205,   0.005)  ( -0.506,  -2.203,   0.005)  ( 0.12,  0.12,  0.00)
173:     torsion ( -7.215,  -1.283,  -0.605)  ( -7.215,  -1.283,  -0.605)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.152,   0.997,  -3.350)  (  0.152,   0.997,  -3.350)  ( 0.00,  0.01,  0.00)
173:     electro (  0.049,  -0.022,  -0.333)  (  0.049,  -0.022,  -0.333)  ( 0.00,  0.00,  0.00)
173: 55       (  2.696,  -3.472,  -0.969)  (  2.709,  -3.469,  -0.965)  ( 0.49,  0.08,  0.30)
173:     bond    ( -0.003,   0.001,   0.002)  (  0.010,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
173:     angle   (  0.968, -19.998,   2.649)  (  0.968, -19.996,   2.651)  ( 0.02,  0.01,  0.07)
173:     torsion (  0.546,   0.938,  -2.130)  (  0.546,   0.938,  -2.130)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.265,  15.526,  -1.506)  (  1.265,  15.526,  -1.506)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.079,   0.063,   0.017)  ( -0.079,   0.063,   0.017)  ( 0.00,  0.00,  0.00)
173: 56       ( -7.342, -13.590,  -2.119)  ( -7.340, -13.587,  -2.105)  ( 0.03,  0.02,  0.64)
173:     bond    ( -0.228,  -1.518,  -7.046)  ( -0.228,  -1.517,  -7.032)  ( 0.00,  0.04,  0.19)
173:     angle   (  1.375, -14.093,   2.995)  (  1.377, -14.091,   2.995)  ( 0.16,  0.01,  0.00)
173:     torsion ( -2.507,  -1.771,   0.463)  ( -2.507,  -1.771,   0.463)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.863,   3.701,   1.444)  ( -5.863,   3.701,   1.444)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.119,   0.091,   0.025)  ( -0.119,   0.091,   0.025)  ( 0.00,  0.00,  0.00)
173: 57       ( -3.437, -13.153,  10.542)  ( -3.433, -13.143,  10.547)  ( 0.12,  0.07,  0.05)
173:     bond    ( -7.015, -14.859,   9.112)  ( -7.013, -14.850,   9.116)  ( 0.03,  0.06,  0.04)
173:     angle   (  5.572,  -2.900,  -0.436)  (  5.574,  -2.899,  -0.434)  ( 0.03,  0.03,  0.07)
173:     torsion (  1.664,   0.516,   2.120)  (  1.664,   0.516,   2.120)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.550,   3.955,  -0.253)  ( -3.550,   3.955,  -0.253)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.108,   0.135,  -0.002)  ( -0.108,   0.135,  -0.002)  ( 0.00,  0.00,  0.00)
173: 58       ( -8.967,  -0.985,  -4.497)  ( -8.961,  -0.975,  -4.494)  ( 0.07,  0.96,  0.06)
173:     bond    ( -3.054,   4.137,   0.969)  ( -3.049,   4.146,   0.970)  ( 0.16,  0.21,  0.05)
173:     angle   (-10.621,  -6.790,  -4.360)  (-10.619,  -6.789,  -4.358)  ( 0.01,  0.01,  0.05)
173:     torsion (  0.462,   0.660,  -1.369)  (  0.462,   0.660,  -1.369)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.078,   1.000,   0.239)  (  4.078,   1.001,   0.239)  ( 0.00,  0.00,  0.00)
173:     electro (  0.167,   0.007,   0.023)  (  0.167,   0.007,   0.023)  ( 0.00,  0.00,  0.00)
173: 59       ( -9.358, -11.621,   0.696)  ( -9.353, -11.611,   0.700)  ( 0.05,  0.08,  0.29)
173:     bond    ( -6.959, -12.644,   6.347)  ( -6.957, -12.635,   6.349)  ( 0.04,  0.07,  0.04)
173:     angle   ( -7.398,   0.405,  -7.299)  ( -7.396,   0.405,  -7.297)  ( 0.02,  0.03,  0.02)
173:     torsion ( -0.575,   0.888,   1.138)  ( -0.575,   0.888,   1.138)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.404,  -0.292,   0.487)  (  5.404,  -0.292,   0.487)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4azr_a9m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b05_32d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b0b_54f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b0c_c9h.sdf
175:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
175:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
175:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
175:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
175:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
175:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
175:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
175: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
175:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
175:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
175:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
175:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
175: ok 14 # gradients 
175: ok 15 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b0g_vek.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b0i_kbp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b0j_3mq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b1f_krh.sdf
175:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
175:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
175:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
175:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
175:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
175:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
175:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
175:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
175:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
175:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
175:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
175:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
175:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
175:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
175:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
175:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
175:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
175:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
175:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
175:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
175:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
175:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
175:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
175:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
175:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
175:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
175:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
175:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
175:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
175:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
175:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
175:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
175:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
175:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
175:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
175:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
175:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b1i_a8p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b1j_a1r.sdf
174:     torsion ( -0.044,  -0.074,  -0.043)  ( -0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.535,  -1.879,   3.603)  ( -2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (211.175, 129.863, -763.780)  (211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (208.396, 131.714, -760.656)  (208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
174:     angle   (  0.202,   0.101,   0.436)  (  0.212,   0.107,   0.445)  ( 0.20,  0.06,  0.37)
174:     torsion (  0.042,  -0.074,   0.042)  (  0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.535,  -1.879,  -3.603)  (  2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (341.770, 475.989, -552.554)  (341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, 473.237, -551.537)  (337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,   0.489,   0.094)  (  0.035,   0.499,   0.101)  ( 0.02,  0.50,  0.06)
174:     torsion ( -0.041,   0.033,  -0.048)  ( -0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,   2.230,  -1.064)  (  4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (423.048,  -0.090, 681.819)  (423.070,  -0.000, 681.921)  ( 0.01,  0.82,  0.01)
174:     bond    (423.212,  -0.078, 677.006)  (423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
174:     angle   (  0.287,  -0.011,   0.072)  (  0.291,  -0.000,   0.082)  ( 0.11,  0.01,  0.07)
174:     torsion (  0.048,  -0.001,  -0.016)  (  0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.499,  -0.000,   4.757)  ( -0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (552.444, 341.770, -476.173)  (552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (551.443, 337.686, -473.399)  (551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   ( -0.107,   0.027,  -0.509)  ( -0.101,   0.035,  -0.499)  ( 0.07,  0.02,  0.52)
174:     torsion (  0.045,  -0.041,  -0.034)  (  0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.064,   4.099,  -2.230)  (  1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-129.938, -763.780, 211.175)  (-129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (-131.774, -760.656, 208.396)  (-131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
174:     angle   ( -0.114,   0.436,   0.202)  ( -0.107,   0.445,   0.212)  ( 0.07,  0.37,  0.20)
174:     torsion (  0.071,   0.042,   0.042)  (  0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.878,  -3.603,   2.535)  (  1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-211.337, -129.938, -763.780)  (-211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (-208.536, -131.774, -760.656)  (-208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
174:     angle   ( -0.222,  -0.114,   0.436)  ( -0.212,  -0.107,   0.445)  ( 0.22,  0.07,  0.37)
174:     torsion ( -0.044,   0.071,   0.042)  ( -0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.535,   1.878,  -3.603)  ( -2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (-476.173, -552.554, 341.770)  (-476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, -551.537, 337.686)  (-473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,   0.094,   0.027)  ( -0.499,   0.101,   0.035)  ( 0.52,  0.06,  0.02)
174:     torsion ( -0.034,  -0.048,  -0.041)  ( -0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.230,  -1.064,   4.099)  ( -2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
175:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
175:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
175:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
175:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
175:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
175:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
175:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
175:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
175:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
175:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
175:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
175:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
175:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
175:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
175:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
175:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
175:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
175: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
175:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
175:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
175:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
175: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
175:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
175:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
175:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
175:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
175:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
175: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b1r_itc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b2h_c3f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b2l_tr7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b33_1np.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b35_4me.sdf
175:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
175:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
175:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
175:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
175: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
175:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
175:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
175:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
175:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
175: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
175:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
175:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
175:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
175:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
175: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
175:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
175:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
175:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
175: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
175:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
175:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
175:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
175: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
175:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
175:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b3a_tac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b3d_5mi.sdf
175:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
175:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
175: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
175:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
175:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
175:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
175: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
175:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
175:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
175:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
175:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
175:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
175:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
175:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
175:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
175:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
175:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
175:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
175:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b4l_1pe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b6c_b5u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4b6e_10l.sdf
173:     electro (  0.171,   0.023,   0.023)  (  0.171,   0.023,   0.023)  ( 0.00,  0.00,  0.00)
173: 60       ( -3.589,  -9.768,  -9.617)  ( -3.587,  -9.766,  -9.603)  ( 0.07,  0.02,  0.14)
173:     bond    (  0.325,  -1.894, -13.079)  (  0.325,  -1.894, -13.065)  ( 0.00,  0.02,  0.11)
173:     angle   (-10.501,  -5.287,   0.505)  (-10.499,  -5.285,   0.505)  ( 0.02,  0.04,  0.00)
173:     torsion (  0.134,  -1.812,   0.266)  (  0.134,  -1.811,   0.266)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.306,  -0.790,   2.628)  (  6.306,  -0.790,   2.628)  ( 0.00,  0.00,  0.00)
173:     electro (  0.147,   0.015,   0.063)  (  0.147,   0.015,   0.063)  ( 0.00,  0.00,  0.00)
173: 61       (  1.131,  -1.661,   5.517)  (  1.143,  -1.658,   5.521)  ( 1.07,  0.18,  0.07)
173:     bond    (  0.790,   0.192,   0.327)  (  0.801,   0.193,   0.329)  ( 0.91,  0.01,  0.06)
173:     angle   ( -1.535, -14.190,  12.056)  ( -1.535, -14.188,  12.058)  ( 0.03,  0.01,  0.02)
173:     torsion ( -1.058,   2.524,   1.095)  ( -1.058,   2.524,   1.095)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.958,   9.790,  -7.974)  (  2.958,   9.790,  -7.974)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.024,   0.022,   0.013)  ( -0.024,   0.022,   0.013)  ( 0.00,  0.00,  0.00)
173: 62       (-18.793,  -8.916,  -2.322)  (-18.790,  -8.902,  -2.319)  ( 0.02,  0.16,  0.11)
173:     bond    ( -0.155,  -1.815,   0.061)  ( -0.155,  -1.801,   0.061)  ( 0.00,  0.77,  0.00)
173:     angle   ( 11.176,  -0.415,  16.278)  ( 11.178,  -0.415,  16.280)  ( 0.02,  0.00,  0.01)
173:     torsion (  3.102,  -0.284,  -0.492)  (  3.102,  -0.284,  -0.492)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-32.887,  -6.407, -18.129)  (-32.886,  -6.407, -18.129)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.028,   0.005,  -0.039)  ( -0.028,   0.005,  -0.039)  ( 0.00,  0.00,  0.00)
173: 63       ( -9.679,   4.907,   3.945)  ( -9.671,   4.911,   3.952)  ( 0.08,  0.08,  0.18)
173:     bond    ( -9.380,   5.378,   8.317)  ( -9.373,   5.380,   8.322)  ( 0.07,  0.04,  0.06)
173:     angle   (  2.019,  -0.632,   2.681)  (  2.020,  -0.630,   2.682)  ( 0.05,  0.11,  0.06)
173:     torsion ( -1.826,  -2.219,  -0.622)  ( -1.826,  -2.219,  -0.622)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.491,   2.299,  -6.394)  ( -0.491,   2.299,  -6.394)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.001,   0.081,  -0.036)  ( -0.001,   0.081,  -0.036)  ( 0.00,  0.00,  0.00)
173: 64       ( 14.765,  -3.549,   0.688)  ( 14.779,  -3.547,   0.692)  ( 0.09,  0.07,  0.24)
173:     bond    (  5.465,   0.880,  -1.324)  (  5.478,   0.880,  -1.323)  ( 0.24,  0.03,  0.06)
173:     angle   ( -3.603, -13.053, -23.595)  ( -3.602, -13.051, -23.593)  ( 0.01,  0.02,  0.01)
173:     torsion (  0.640,  -2.270,   1.141)  (  0.640,  -2.270,   1.141)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.181,  10.982,  24.513)  ( 12.181,  10.982,  24.513)  ( 0.00,  0.00,  0.00)
173:     electro (  0.082,  -0.088,  -0.046)  (  0.082,  -0.088,  -0.046)  ( 0.00,  0.00,  0.00)
173: 65       (  3.892,  10.006,  -9.110)  (  3.898,  10.011,  -9.101)  ( 0.15,  0.04,  0.10)
173:     bond    ( -2.770,   2.059,  -3.865)  ( -2.766,   2.061,  -3.858)  ( 0.15,  0.11,  0.20)
173:     angle   ( 15.805, -10.041, -16.698)  ( 15.807, -10.039, -16.697)  ( 0.01,  0.02,  0.01)
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173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
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173:     electro ( -0.017,  -0.168,  -0.111)  ( -0.017,  -0.168,  -0.111)  ( 0.00,  0.00,  0.00)
173: 73       ( -1.977,  -8.183,  -0.263)  ( -1.974,  -8.169,  -0.260)  ( 0.12,  0.17,  0.07)
173:     bond    (  0.203,  -1.906,   0.142)  (  0.203,  -1.892,   0.142)  ( 0.00,  0.73,  0.00)
173:     angle   ( 11.906,   0.081, -15.902)  ( 11.908,   0.081, -15.899)  ( 0.02,  0.00,  0.02)
173:     torsion ( -0.518,  -0.066,  -0.135)  ( -0.518,  -0.066,  -0.135)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.619,  -6.139,  15.500)  (-13.619,  -6.139,  15.500)  ( 0.00,  0.00,  0.00)
173:     electro (  0.052,  -0.154,   0.131)  (  0.052,  -0.154,   0.131)  ( 0.00,  0.00,  0.00)
173: 74       ( -9.261,   1.471,  -4.775)  ( -9.256,   1.473,  -4.764)  ( 0.06,  0.14,  0.21)
173:     bond    ( -3.300,  -2.275,  -4.913)  ( -3.296,  -2.273,  -4.904)  ( 0.13,  0.09,  0.19)
173:     angle   ( -0.706,  -0.289,   0.607)  ( -0.705,  -0.289,   0.608)  ( 0.08,  0.01,  0.05)
173:     torsion ( -2.796,   5.459,  -0.652)  ( -2.796,   5.459,  -0.652)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.459,  -1.424,   0.183)  ( -2.459,  -1.424,   0.183)  ( 0.00,  0.00,  0.00)
173: ok 22 # gradients 
173: ok 23 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (243.435, -129.883,  97.853)  (243.468, -129.847,  97.862)  ( 0.01,  0.03,  0.01)
173:     bond    ( 13.714, -161.918,  57.015)  ( 13.737, -161.892,  57.019)  ( 0.16,  0.02,  0.01)
173:     angle   (241.825,  42.374,  40.057)  (241.835,  42.383,  40.058)  ( 0.00,  0.02,  0.00)
173:     torsion (  1.708,  -1.592,   0.535)  (  1.708,  -1.591,   0.539)  ( 0.03,  0.05,  0.24)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.823,  -7.893,  -0.106)  (-14.823,  -7.893,  -0.106)  ( 0.00,  0.00,  0.00)
173:     electro (  1.012,  -0.854,   0.352)  (  1.012,  -0.854,   0.352)  ( 0.00,  0.00,  0.00)
173:  2       (-213.165, 239.894, -122.837)  (-213.131, 239.930, -122.828)  ( 0.02,  0.01,  0.01)
173:     bond    ( 41.916, 143.345, -37.441)  ( 41.937, 143.373, -37.437)  ( 0.05,  0.02,  0.01)
173:     angle   (-253.888,  71.912, -100.043)  (-253.878,  71.918, -100.043)  ( 0.00,  0.01,  0.00)
173:     torsion ( -6.134,   7.270,  24.251)  ( -6.134,   7.271,  24.255)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.565,  18.251,  -9.760)  (  5.566,  18.252,  -9.761)  ( 0.02,  0.00,  0.00)
173:     electro ( -0.624,  -0.884,   0.157)  ( -0.624,  -0.884,   0.157)  ( 0.00,  0.00,  0.00)
173:  3       (-150.025, 122.428, -24.536)  (-149.990, 122.475, -24.531)  ( 0.02,  0.04,  0.02)
173:     bond    (-100.738, 108.256, -17.186)  (-100.713, 108.294, -17.185)  ( 0.02,  0.04,  0.01)
173:     angle   (-47.166,  14.804,  -4.640)  (-47.156,  14.813,  -4.640)  ( 0.02,  0.06,  0.02)
173:     torsion ( -1.343,   3.194,  -3.831)  ( -1.343,   3.194,  -3.828)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.737,   0.521,  -2.281)  ( -6.737,   0.521,  -2.281)  ( 0.00,  0.01,  0.00)
173:     electro (  5.959,  -4.347,   3.403)  (  5.959,  -4.347,   3.403)  ( 0.00,  0.00,  0.00)
173:  4       (  9.643, -88.299,  28.696)  (  9.675, -88.259,  28.708)  ( 0.33,  0.05,  0.04)
173:     bond    (  3.149,  11.268,  -3.764)  (  3.171,  11.298,  -3.757)  ( 0.73,  0.27,  0.19)
173:     angle   (  6.039, -82.872,  35.774)  (  6.047, -82.864,  35.776)  ( 0.14,  0.01,  0.01)
173:     torsion (  2.826,  -1.640,  -8.348)  (  2.826,  -1.640,  -8.344)  ( 0.01,  0.05,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bcg_t3c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bch_t7z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bci_t3e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bcj_t9n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bcq_tjf.sdf
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.918, -17.675,   7.022)  (  0.919, -17.674,   7.022)  ( 0.01,  0.00,  0.00)
173:     electro ( -3.288,   2.621,  -1.988)  ( -3.288,   2.621,  -1.988)  ( 0.00,  0.00,  0.00)
173:  5       (-20.852,  34.625, -37.259)  (-20.847,  34.648, -37.253)  ( 0.02,  0.07,  0.01)
173:     bond    (  1.606,  57.568, -25.196)  (  1.606,  57.591, -25.191)  ( 0.02,  0.04,  0.02)
173:     angle   (-24.563,  -1.326,  -4.597)  (-24.559,  -1.326,  -4.597)  ( 0.02,  0.00,  0.01)
173:     torsion (  3.709,  -8.418, -19.008)  (  3.709,  -8.418, -19.008)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.625, -10.274,   7.171)  (-12.624, -10.274,   7.171)  ( 0.01,  0.00,  0.00)
173:     electro ( 11.021,  -2.925,   4.371)  ( 11.021,  -2.925,   4.371)  ( 0.00,  0.00,  0.00)
173:  6       (-387.995,  95.745, -78.809)  (-387.959,  95.780, -78.800)  ( 0.01,  0.04,  0.01)
173:     bond    (-170.923, 156.286, -74.681)  (-170.899, 156.312, -74.678)  ( 0.01,  0.02,  0.00)
173:     angle   (-219.890, -40.280, -20.904)  (-219.880, -40.272, -20.903)  ( 0.00,  0.02,  0.00)
173:     torsion ( -1.343,   3.083,   6.957)  ( -1.343,   3.084,   6.962)  ( 0.00,  0.02,  0.06)
173:     oop     ( -0.005,   0.013,   0.040)  ( -0.005,   0.013,   0.040)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.646, -22.596,   9.528)  (  3.647, -22.596,   9.528)  ( 0.03,  0.00,  0.00)
173:     electro (  0.521,  -0.761,   0.251)  (  0.521,  -0.761,   0.251)  ( 0.00,  0.00,  0.00)
173:  7       (173.034, -205.670,  88.803)  (173.075, -205.632,  88.813)  ( 0.02,  0.02,  0.01)
173:     bond    (-30.994,  23.260, -12.018)  (-30.963,  23.288, -12.014)  ( 0.10,  0.12,  0.04)
173:     angle   (209.295, -246.958, 102.767)  (209.304, -246.949, 102.766)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.848,   0.390,   3.384)  ( -0.847,   0.391,   3.389)  ( 0.01,  0.02,  0.16)
173:     oop     ( -0.064,   0.173,   0.491)  ( -0.064,   0.173,   0.491)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.122,  18.379,  -6.122)  ( -5.121,  18.379,  -6.122)  ( 0.02,  0.00,  0.00)
173:     electro (  0.767,  -0.914,   0.302)  (  0.767,  -0.914,   0.302)  ( 0.00,  0.00,  0.00)
173:  8       (176.395,  20.267,  22.152)  (176.428,  20.297,  22.159)  ( 0.02,  0.15,  0.03)
173:     bond    (126.293, -50.819,  33.089)  (126.321, -50.798,  33.091)  ( 0.02,  0.04,  0.01)
173:     angle   ( 34.480,  88.092, -24.751)  ( 34.485,  88.100, -24.750)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.863,   2.056,   6.381)  ( -0.863,   2.057,   6.384)  ( 0.00,  0.02,  0.05)
173:     oop     (  0.045,  -0.120,  -0.365)  (  0.045,  -0.120,  -0.364)  ( 0.00,  0.00,  0.02)
173:     vdw     ( 16.167, -19.067,   7.814)  ( 16.168, -19.066,   7.814)  ( 0.00,  0.00,  0.00)
173:     electro (  0.272,   0.124,  -0.016)  (  0.272,   0.124,  -0.016)  ( 0.00,  0.00,  0.00)
173:  9       (239.894, -72.401, -15.239)  (239.924, -72.370, -15.231)  ( 0.01,  0.04,  0.05)
173:     bond    (123.035, -74.312,  32.669)  (123.062, -74.290,  32.673)  ( 0.02,  0.03,  0.01)
173:     angle   (106.566, -15.151, -14.452)  (106.568, -15.143, -14.450)  ( 0.00,  0.05,  0.01)
173:     torsion (  4.251,  -6.973, -25.732)  (  4.251,  -6.973, -25.729)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.962,  16.449,  -7.787)  ( -0.962,  16.450,  -7.787)  ( 0.01,  0.00,  0.00)
173:     electro (  7.003,   7.586,   0.063)  (  7.003,   7.586,   0.063)  ( 0.00,  0.00,  0.00)
173: 10       (-213.303, 251.697, -120.074)  (-213.267, 251.729, -120.066)  ( 0.02,  0.01,  0.01)
173:     bond    (-198.774, -33.489, -14.358)  (-198.745, -33.469, -14.355)  ( 0.01,  0.06,  0.02)
173:     angle   (-15.676, 272.089, -97.794)  (-15.670, 272.098, -97.793)  ( 0.04,  0.00,  0.00)
173:     torsion ( -0.557,   1.730,   5.848)  ( -0.557,   1.730,   5.851)  ( 0.00,  0.03,  0.06)
173:     oop     (  0.191,  -0.578,  -1.569)  (  0.191,  -0.578,  -1.569)  ( 0.00,  0.00,  0.04)
173:     vdw     (  1.608,  11.677, -12.164)  (  1.609,  11.678, -12.164)  ( 0.03,  0.01,  0.00)
173:     electro ( -0.095,   0.269,  -0.036)  ( -0.095,   0.269,  -0.036)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bda_vfb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdb_odo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdc_odh.sdf
174:     angle   (  0.072,  -0.295,  -0.011)  (  0.082,  -0.291,   0.000)  ( 0.07,  0.12,  0.01)
174:     torsion ( -0.016,  -0.052,  -0.001)  ( -0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
174:     vdw     (  4.757,   0.499,  -0.000)  (  4.757,   0.499,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       (-552.554, 341.770, -476.173)  (-552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, 337.686, -473.399)  (-551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,   0.027,  -0.509)  (  0.101,   0.035,  -0.499)  ( 0.06,  0.02,  0.52)
174:     torsion ( -0.048,  -0.041,  -0.034)  ( -0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,   4.099,  -2.230)  ( -1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       (-552.554, 341.770, 475.989)  (-552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, 337.686, 473.237)  (-551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,   0.027,   0.489)  (  0.101,   0.035,   0.499)  ( 0.06,  0.02,  0.50)
174:     torsion ( -0.048,  -0.041,   0.033)  ( -0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,   4.099,   2.230)  ( -1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       (-423.091,  -0.090, 681.819)  (-423.070,   0.000, 681.921)  ( 0.01,  0.82,  0.01)
174:     bond    (-423.243,  -0.078, 677.006)  (-423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
174:     angle   ( -0.295,  -0.011,   0.072)  ( -0.291,   0.000,   0.082)  ( 0.12,  0.01,  0.07)
174:     torsion ( -0.052,  -0.001,  -0.016)  ( -0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.499,  -0.000,   4.757)  (  0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       (-552.554, -341.903, -476.173)  (-552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, -337.801, -473.399)  (-551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,  -0.043,  -0.509)  (  0.101,  -0.035,  -0.499)  ( 0.06,  0.03,  0.52)
174:     torsion ( -0.048,   0.040,  -0.034)  ( -0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,  -4.099,  -2.230)  ( -1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-552.554, -341.903, 475.989)  (-552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, -337.801, 473.237)  (-551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,  -0.043,   0.489)  (  0.101,  -0.035,   0.499)  ( 0.06,  0.03,  0.50)
174:     torsion ( -0.048,   0.040,   0.033)  ( -0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,  -4.099,   2.230)  ( -1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 40       (211.175, -129.938, 763.591)  (211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (208.396, -131.774, 760.485)  (208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
174:     angle   (  0.202,  -0.114,  -0.453)  (  0.212,  -0.107,  -0.445)  ( 0.20,  0.07,  0.38)
174:     torsion (  0.042,   0.071,  -0.043)  (  0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.535,   1.878,   3.603)  (  2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       (-476.173, -552.554, -341.903)  (-476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, -551.537, -337.801)  (-473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,   0.094,  -0.043)  ( -0.499,   0.101,  -0.035)  ( 0.52,  0.06,  0.03)
174:     torsion ( -0.034,  -0.048,   0.040)  ( -0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
173: 11       ( 91.395, -97.429,  11.923)  ( 91.433, -97.396,  11.930)  ( 0.04,  0.03,  0.06)
173:     bond    (205.126, -17.769,  30.132)  (205.153, -17.743,  30.136)  ( 0.01,  0.15,  0.01)
173:     angle   (-127.916, -87.978,  -9.803)  (-127.906, -87.973,  -9.802)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.628,   0.279,  -5.824)  ( -0.628,   0.280,  -5.821)  ( 0.01,  0.01,  0.05)
173:     oop     ( -0.028,   0.097,   0.238)  ( -0.028,   0.097,   0.238)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.867,   8.063,  -2.849)  ( 14.868,   8.063,  -2.849)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.027,  -0.120,   0.028)  ( -0.027,  -0.120,   0.028)  ( 0.00,  0.00,  0.00)
173: 12       ( -9.502,  -5.347,   2.856)  ( -9.497,  -5.334,   2.859)  ( 0.04,  0.24,  0.10)
173:     bond    ( -0.172,  -3.228,   1.215)  ( -0.171,  -3.216,   1.217)  ( 0.00,  0.39,  0.15)
173:     angle   (-17.373,   0.415,  -1.350)  (-17.370,   0.415,  -1.350)  ( 0.02,  0.00,  0.01)
173:     torsion ( -0.986,   2.554,   6.610)  ( -0.986,   2.555,   6.611)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.068,   0.230,   0.598)  ( -0.068,   0.230,   0.598)  ( 0.00,  0.00,  0.01)
173:     vdw     (  8.319,  -3.681,  -4.283)  (  8.320,  -3.681,  -4.283)  ( 0.01,  0.00,  0.00)
173:     electro (  0.778,  -1.637,   0.066)  (  0.778,  -1.637,   0.066)  ( 0.00,  0.00,  0.00)
173: 13       ( 35.280,  -2.720,   5.343)  ( 35.316,  -2.686,   5.352)  ( 0.10,  1.28,  0.16)
173:     bond    (-17.572,  68.840, -24.748)  (-17.546,  68.867, -24.745)  ( 0.15,  0.04,  0.01)
173:     angle   ( 53.028, -48.241,  22.126)  ( 53.038, -48.234,  22.127)  ( 0.02,  0.02,  0.00)
173:     torsion (  0.215,  -1.026,  -3.228)  (  0.215,  -1.025,  -3.224)  ( 0.00,  0.04,  0.12)
173:     oop     ( -0.098,   0.247,   0.753)  ( -0.098,   0.247,   0.754)  ( 0.00,  0.00,  0.05)
173:     vdw     (  4.357, -19.538,   9.903)  (  4.358, -19.538,   9.903)  ( 0.02,  0.00,  0.00)
173:     electro ( -4.650,  -3.002,   0.537)  ( -4.650,  -3.002,   0.537)  ( 0.00,  0.00,  0.00)
173: 14       (  4.875,  -2.048,   1.248)  (  4.878,  -2.035,   1.250)  ( 0.05,  0.64,  0.17)
173:     bond    ( -0.012,  -0.862,   0.280)  ( -0.012,  -0.849,   0.281)  ( 0.00,  1.12,  0.04)
173:     angle   ( -5.352,  -0.132,  -0.628)  ( -5.350,  -0.132,  -0.628)  ( 0.03,  0.00,  0.00)
173:     torsion ( -0.024,   0.064,   0.192)  ( -0.024,   0.064,   0.193)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.006,   0.017,   0.051)  ( -0.006,   0.017,   0.051)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.767,  -1.427,   1.446)  ( 11.768,  -1.427,   1.446)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.497,   0.293,  -0.093)  ( -1.497,   0.293,  -0.093)  ( 0.00,  0.00,  0.00)
173: 15       (-29.961, -53.287,  21.519)  (-29.949, -53.279,  21.521)  ( 0.04,  0.01,  0.01)
173:     bond    (  5.687,  -3.544,   1.953)  (  5.698,  -3.540,   1.954)  ( 0.18,  0.11,  0.06)
173:     angle   ( 17.524,  24.913,  -5.968)  ( 17.525,  24.915,  -5.968)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.283,  -0.691,  -2.078)  (  0.283,  -0.691,  -2.077)  ( 0.00,  0.01,  0.04)
173:     oop     (  0.033,  -0.079,  -0.240)  (  0.033,  -0.079,  -0.240)  ( 0.00,  0.00,  0.00)
173:     vdw     (-55.285, -74.520,  28.523)  (-55.284, -74.518,  28.523)  ( 0.00,  0.00,  0.00)
173:     electro (  1.796,   0.634,  -0.671)  (  1.796,   0.634,  -0.671)  ( 0.00,  0.00,  0.00)
173: 16       (-93.458, -78.831, 108.133)  (-93.427, -78.805, 108.145)  ( 0.03,  0.03,  0.01)
173:     bond    (-86.251, -62.985,  59.792)  (-86.227, -62.966,  59.798)  ( 0.03,  0.03,  0.01)
173:     angle   ( -0.284,  -9.354,  55.228)  ( -0.278,  -9.346,  55.233)  ( 0.19,  0.08,  0.01)
173:     torsion (  4.732,  -8.367,  -0.701)  (  4.732,  -8.367,  -0.701)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.001,  -3.425,  -2.168)  ( -9.000,  -3.425,  -2.168)  ( 0.00,  0.01,  0.00)
173:     electro ( -2.654,   5.299,  -4.017)  ( -2.654,   5.299,  -4.017)  ( 0.00,  0.00,  0.00)
173: 17       (-59.217,  68.094,  99.158)  (-59.200,  68.131,  99.189)  ( 0.03,  0.05,  0.03)
173:     bond    (-14.572,   8.759,  35.421)  (-14.563,   8.786,  35.442)  ( 0.06,  0.31,  0.06)
173:     angle   (-30.431,  50.753,  66.157)  (-30.424,  50.763,  66.167)  ( 0.02,  0.02,  0.01)
173:     torsion (  0.561,  -2.636,   2.948)  (  0.561,  -2.636,   2.949)  ( 0.02,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.500,  10.680,  -5.146)  (-14.499,  10.680,  -5.146)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.274,   0.538,  -0.223)  ( -0.274,   0.538,  -0.223)  ( 0.00,  0.00,  0.00)
173: 18       ( 18.743,   7.225,   1.367)  ( 18.754,   7.232,   1.371)  ( 0.06,  0.09,  0.24)
173:     bond    (  9.683,  -6.296,   4.710)  (  9.691,  -6.292,   4.713)  ( 0.09,  0.06,  0.05)
173:     angle   (  5.877,   8.285,  -1.025)  (  5.878,   8.287,  -1.024)  ( 0.02,  0.03,  0.02)
173:     torsion ( -0.696,   0.896,   2.626)  ( -0.696,   0.896,   2.627)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.432,   9.448,  -6.296)  (  9.433,   9.448,  -6.296)  ( 0.00,  0.01,  0.00)
173:     electro ( -5.553,  -5.108,   1.352)  ( -5.553,  -5.108,   1.352)  ( 0.00,  0.00,  0.00)
173: 19       ( 31.262,  -3.433, -23.037)  ( 31.290,  -3.405, -23.010)  ( 0.09,  0.81,  0.12)
173:     bond    ( 16.659, -41.413, -39.745)  ( 16.677, -41.394, -39.726)  ( 0.11,  0.05,  0.05)
173:     angle   ( 28.813,  16.760,   6.269)  ( 28.822,  16.768,   6.277)  ( 0.03,  0.05,  0.12)
173:     torsion ( -4.337,   6.828,  -5.077)  ( -4.337,   6.828,  -5.077)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.694,  14.431,  15.138)  ( -9.693,  14.431,  15.138)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.179,  -0.038,   0.379)  ( -0.179,  -0.038,   0.379)  ( 0.00,  0.00,  0.00)
173: 20       ( 34.360,  72.561, -31.770)  ( 34.388,  72.590, -31.743)  ( 0.08,  0.04,  0.08)
173:     bond    (-32.639,  38.555,  -3.353)  (-32.621,  38.574,  -3.334)  ( 0.06,  0.05,  0.56)
173:     angle   ( 15.456,   2.881,  -6.003)  ( 15.465,   2.891,  -5.996)  ( 0.06,  0.32,  0.13)
173:     torsion (  1.494,  -0.570,   7.900)  (  1.494,  -0.570,   7.900)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 50.194,  32.876, -30.506)  ( 50.194,  32.877, -30.505)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.145,  -1.181,   0.192)  ( -0.145,  -1.181,   0.192)  ( 0.00,  0.00,  0.00)
173: 21       (  1.450, -13.355,  -5.871)  (  1.461, -13.349,  -5.869)  ( 0.73,  0.05,  0.04)
173:     bond    (  6.671,  -4.488,   0.587)  (  6.681,  -4.484,   0.587)  ( 0.14,  0.10,  0.01)
173:     angle   (-10.824, -17.938, -13.829)  (-10.823, -17.936, -13.827)  ( 0.01,  0.01,  0.02)
173:     torsion (  0.092,   0.258,   0.924)  (  0.092,   0.258,   0.924)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.370,   8.090,   5.502)  (  5.371,   8.090,   5.502)  ( 0.00,  0.00,  0.00)
173:     electro (  0.140,   0.723,   0.945)  (  0.140,   0.723,   0.945)  ( 0.00,  0.00,  0.00)
173: 22       (  5.351,   0.480, -12.277)  (  5.353,   0.484, -12.264)  ( 0.04,  0.18,  0.11)
173:     bond    ( -1.188,   4.315, -13.803)  ( -1.188,   4.316, -13.790)  ( 0.01,  0.03,  0.09)
173:     angle   (  6.627,  -4.394,  -1.946)  (  6.629,  -4.392,  -1.946)  ( 0.03,  0.05,  0.01)
173:     torsion (  0.961,  -1.516,  -0.557)  (  0.961,  -1.516,  -0.557)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.463,   1.716,   3.044)  ( -1.463,   1.716,   3.044)  ( 0.00,  0.00,  0.00)
173:     electro (  0.414,   0.359,   0.986)  (  0.414,   0.359,   0.986)  ( 0.00,  0.00,  0.00)
173: 23       ( -9.348,  66.052,   6.198)  ( -9.321,  66.080,   6.225)  ( 0.29,  0.04,  0.42)
173:     bond    (-15.976, -14.308,   0.725)  (-15.958, -14.290,   0.743)  ( 0.12,  0.12,  1.33)
173:     angle   (  7.263,  52.187,   0.459)  (  7.272,  52.196,   0.467)  ( 0.12,  0.02,  0.34)
173:     torsion (  1.357,   4.220,  -1.018)  (  1.357,   4.220,  -1.017)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdd_z0o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bde_cws.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdf_h3r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdg_p3j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdh_wvi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdi_hau.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdj_z2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdk_rqq.sdf
173:     vdw     ( -2.052,  23.747,   5.943)  ( -2.052,  23.748,   5.943)  ( 0.00,  0.00,  0.00)
173:     electro (  0.060,   0.205,   0.089)  (  0.060,   0.205,   0.089)  ( 0.00,  0.00,  0.00)
173: 24       ( -3.458,   6.379,   4.175)  ( -3.455,   6.388,   4.182)  ( 0.08,  0.14,  0.18)
173:     bond    (  0.248,   7.426,   6.618)  (  0.248,   7.434,   6.624)  ( 0.00,  0.11,  0.09)
173:     angle   (-12.472,  -2.222,   2.957)  (-12.469,  -2.221,   2.959)  ( 0.02,  0.04,  0.04)
173:     torsion (  0.579,  -0.504,   0.544)  (  0.579,  -0.504,   0.544)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.907,   3.337,  -6.670)  (  7.908,   3.337,  -6.670)  ( 0.00,  0.00,  0.00)
173:     electro (  0.279,  -1.658,   0.725)  (  0.279,  -1.658,   0.725)  ( 0.00,  0.00,  0.00)
173: 25       ( 47.600, -21.511, -33.250)  ( 47.628, -21.483, -33.223)  ( 0.06,  0.13,  0.08)
173:     bond    (-16.280,  -4.390,   5.193)  (-16.262,  -4.372,   5.211)  ( 0.11,  0.42,  0.35)
173:     angle   ( 40.624,  -7.126, -26.096)  ( 40.633,  -7.117, -26.088)  ( 0.02,  0.12,  0.03)
173:     torsion (  3.611,   0.746,  -2.747)  (  3.611,   0.746,  -2.747)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.431, -10.560,  -9.544)  ( 19.431, -10.560,  -9.543)  ( 0.00,  0.00,  0.00)
173:     electro (  0.215,  -0.181,  -0.055)  (  0.215,  -0.181,  -0.055)  ( 0.00,  0.00,  0.00)
173: 26       (  5.897,  17.008,  -6.176)  (  5.900,  17.013,  -6.164)  ( 0.06,  0.03,  0.19)
173:     bond    ( -2.112,   4.629, -11.095)  ( -2.112,   4.631, -11.083)  ( 0.02,  0.04,  0.10)
173:     angle   (-11.054,  -0.117,   2.057)  (-11.051,  -0.115,   2.058)  ( 0.02,  0.02,  0.02)
173:     torsion ( -0.718,   1.139,   0.613)  ( -0.718,   1.140,   0.613)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.610,  13.361,   1.940)  ( 19.610,  13.361,   1.940)  ( 0.00,  0.00,  0.00)
173:     electro (  0.171,  -2.004,   0.309)  (  0.171,  -2.004,   0.309)  ( 0.00,  0.00,  0.00)
173: 27       (-46.185, -30.348, -10.099)  (-46.161, -30.324, -10.085)  ( 0.05,  0.08,  0.13)
173:     bond    ( -9.157,  -5.246, -10.804)  ( -9.139,  -5.228, -10.797)  ( 0.20,  0.34,  0.06)
173:     angle   (-45.617, -31.019,  -1.758)  (-45.611, -31.014,  -1.751)  ( 0.01,  0.02,  0.35)
173:     torsion ( -5.884,  -3.666,  -0.502)  ( -5.884,  -3.666,  -0.501)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.543,   7.362,   1.613)  ( 12.543,   7.362,   1.613)  ( 0.00,  0.00,  0.00)
173:     electro (  1.930,   2.221,   1.352)  (  1.930,   2.221,   1.352)  ( 0.00,  0.00,  0.00)
173: 28       ( -0.909, -12.252,   5.767)  ( -0.906, -12.248,   5.779)  ( 0.28,  0.03,  0.21)
173:     bond    (  1.926,  -4.995,  11.194)  (  1.926,  -4.992,  11.206)  ( 0.02,  0.05,  0.10)
173:     angle   ( -0.582,  -7.258,  -3.133)  ( -0.579,  -7.256,  -3.133)  ( 0.15,  0.02,  0.01)
173:     torsion ( -0.574,  -4.249,  -1.795)  ( -0.574,  -4.249,  -1.795)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.864,   3.876,  -0.368)  ( -0.864,   3.876,  -0.368)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.815,   0.373,  -0.131)  ( -0.815,   0.373,  -0.131)  ( 0.00,  0.00,  0.00)
173: 29       ( -1.215,  -6.423,  -1.688)  ( -1.213,  -6.414,  -1.680)  ( 0.23,  0.14,  0.43)
173:     bond    ( -0.358,  -5.027,  -4.340)  ( -0.358,  -5.019,  -4.334)  ( 0.00,  0.16,  0.14)
173:     angle   ( -0.867,  -3.780,   4.445)  ( -0.864,  -3.779,   4.447)  ( 0.23,  0.02,  0.03)
173:     torsion (  0.009,   1.724,  -1.997)  (  0.009,   1.724,  -1.997)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.354,   0.043,  -0.205)  (  0.354,   0.043,  -0.205)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.353,   0.616,   0.409)  ( -0.353,   0.616,   0.409)  ( 0.00,  0.00,  0.00)
173: 30       ( -6.845,   0.913,   1.976)  ( -6.834,   0.918,   1.978)  ( 0.16,  0.52,  0.12)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bds_fpk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdt_huw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdy_cij.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bdz_19c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4be0_bf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4be1_ci4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4be2_xz2.sdf
173:     bond    ( -5.928,   3.515,  -0.385)  ( -5.918,   3.519,  -0.385)  ( 0.17,  0.10,  0.00)
173:     angle   ( -1.889,  -2.662,   4.706)  ( -1.888,  -2.660,   4.708)  ( 0.03,  0.07,  0.05)
173:     torsion (  0.545,   0.691,  -2.056)  (  0.545,   0.691,  -2.056)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.142,   0.376,  -0.048)  (  0.142,   0.376,  -0.048)  ( 0.00,  0.00,  0.00)
173:     electro (  0.286,  -1.007,  -0.241)  (  0.286,  -1.007,  -0.241)  ( 0.00,  0.00,  0.00)
173: 31       ( -8.087,  -2.126,  10.829)  ( -8.084,  -2.122,  10.842)  ( 0.03,  0.18,  0.12)
173:     bond    (  1.295,  -3.749,  11.836)  (  1.296,  -3.748,  11.849)  ( 0.02,  0.04,  0.11)
173:     angle   ( -7.992,   2.748,   1.743)  ( -7.990,   2.750,   1.744)  ( 0.03,  0.08,  0.01)
173:     torsion ( -3.829,   1.331,   0.840)  ( -3.829,   1.331,   0.840)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.640,  -1.381,  -2.928)  (  2.640,  -1.381,  -2.928)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.202,  -1.073,  -0.663)  ( -0.202,  -1.073,  -0.663)  ( 0.00,  0.00,  0.00)
173: 32       (  3.782,  -2.362,  12.697)  (  3.792,  -2.354,  12.701)  ( 0.25,  0.34,  0.03)
173:     bond    ( -2.410,  -2.075,   1.208)  ( -2.402,  -2.069,   1.210)  ( 0.34,  0.30,  0.17)
173:     angle   (  2.377,   0.318,   5.268)  (  2.378,   0.320,   5.269)  ( 0.04,  0.06,  0.02)
173:     torsion (  3.459,  -0.401,   6.184)  (  3.460,  -0.401,   6.184)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.196,  -0.114,  -0.019)  ( -0.196,  -0.114,  -0.019)  ( 0.00,  0.00,  0.00)
173:     electro (  0.552,  -0.089,   0.057)  (  0.552,  -0.089,   0.057)  ( 0.00,  0.00,  0.00)
173: 33       ( 14.707,  15.392,  24.561)  ( 14.712,  15.418,  24.561)  ( 0.03,  0.17,  0.00)
173:     bond    (  2.460,  14.832,  -0.289)  (  2.461,  14.859,  -0.288)  ( 0.03,  0.18,  0.00)
173:     angle   ( 44.102,  -7.196,   5.657)  ( 44.106,  -7.196,   5.657)  ( 0.01,  0.00,  0.00)
173:     torsion ( -3.348,   1.119,  29.067)  ( -3.348,   1.119,  29.067)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.195,  -1.613,  -5.003)  (-13.195,  -1.613,  -5.003)  ( 0.00,  0.00,  0.00)
173:     electro (-15.312,   8.249,  -4.872)  (-15.312,   8.249,  -4.872)  ( 0.00,  0.00,  0.00)
173: 34       ( 90.156, -169.662,   6.911)  ( 90.180, -169.641,   6.913)  ( 0.03,  0.01,  0.03)
173:     bond    (113.119, -119.745,  19.428)  (113.140, -119.731,  19.429)  ( 0.02,  0.01,  0.01)
173:     angle   ( 20.434, -27.807,   4.485)  ( 20.435, -27.801,   4.485)  ( 0.01,  0.02,  0.01)
173:     torsion (  2.332,  -0.887, -19.412)  (  2.332,  -0.887, -19.411)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-42.736, -28.761,   6.436)  (-42.735, -28.761,   6.436)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.992,   7.539,  -4.026)  ( -2.992,   7.539,  -4.026)  ( 0.00,  0.00,  0.00)
173: 35       (  2.054,  31.026,  -2.404)  (  2.065,  31.033,  -2.403)  ( 0.51,  0.02,  0.03)
173:     bond    ( 17.628,  13.996,   1.112)  ( 17.637,  14.002,   1.112)  ( 0.05,  0.04,  0.01)
173:     angle   (-21.183,  26.990,  -3.906)  (-21.182,  26.991,  -3.906)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.171,  -0.091,  -1.558)  (  0.171,  -0.091,  -1.558)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro (  5.438,  -9.868,   1.948)  (  5.438,  -9.868,   1.948)  ( 0.00,  0.00,  0.00)
173: 36       ( 19.874,  -0.962, -15.567)  ( 19.910,  -0.941, -15.541)  ( 0.18,  2.01,  0.17)
173:     bond    ( 20.777, -25.063, -11.073)  ( 20.805, -25.050, -11.056)  ( 0.13,  0.05,  0.15)
173:     angle   (  2.785,  15.055,  -3.975)  (  2.794,  15.063,  -3.965)  ( 0.31,  0.06,  0.25)
173:     torsion ( -5.968,   1.304,  -1.007)  ( -5.968,   1.303,  -1.007)  ( 0.00,  0.03,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bel_b3p.sdf
175:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
175:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
175:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 16 # gradients 
175: ok 17 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bet_cdc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfp_swy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfs_zvs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bft_zvt.sdf
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.063,   8.544,   0.466)  (  2.063,   8.544,   0.466)  ( 0.00,  0.00,  0.00)
173:     electro (  0.216,  -0.802,   0.022)  (  0.216,  -0.802,   0.022)  ( 0.00,  0.00,  0.00)
173: 37       ( -5.930,  -4.258, -25.737)  ( -5.904,  -4.232, -25.705)  ( 0.43,  0.61,  0.13)
173:     bond    ( -2.461, -26.438, -16.460)  ( -2.444, -26.421, -16.438)  ( 0.72,  0.07,  0.13)
173:     angle   ( -1.129,  12.699, -13.147)  ( -1.122,  12.708, -13.137)  ( 0.68,  0.07,  0.08)
173:     torsion (  4.307,   3.398,   2.906)  (  4.307,   3.398,   2.906)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.798,   6.828,   1.015)  ( -6.798,   6.828,   1.015)  ( 0.00,  0.00,  0.00)
173:     electro (  0.152,  -0.745,  -0.051)  (  0.152,  -0.745,  -0.051)  ( 0.00,  0.00,  0.00)
173: 38       (  1.190,   5.045,  -6.234)  (  1.194,   5.051,  -6.225)  ( 0.39,  0.12,  0.13)
173:     bond    ( -2.309,   4.051,  -4.780)  ( -2.307,   4.057,  -4.773)  ( 0.07,  0.13,  0.15)
173:     angle   (  1.551,   1.029,   0.123)  (  1.554,   1.029,   0.124)  ( 0.19,  0.07,  0.01)
173:     torsion (  3.107,  -0.067,  -1.559)  (  3.106,  -0.067,  -1.559)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.931,  -0.156,   0.009)  ( -0.931,  -0.156,   0.009)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.227,   0.189,  -0.027)  ( -0.227,   0.189,  -0.027)  ( 0.00,  0.00,  0.00)
173: 39       ( -2.417,  -7.673,   6.179)  ( -2.408,  -7.670,   6.186)  ( 0.35,  0.04,  0.13)
173:     bond    ( -4.552,  -1.713,   4.541)  ( -4.546,  -1.712,   4.548)  ( 0.15,  0.05,  0.15)
173:     angle   (  1.497,  -7.841,  -1.454)  (  1.498,  -7.839,  -1.453)  ( 0.12,  0.02,  0.08)
173:     torsion (  2.759,  -1.370,   2.242)  (  2.759,  -1.370,   2.242)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.001,   3.070,   0.732)  ( -2.001,   3.070,   0.732)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.119,   0.181,   0.117)  ( -0.119,   0.181,   0.117)  ( 0.00,  0.00,  0.00)
173: 40       (  2.495,   5.396,  -5.771)  (  2.500,   5.404,  -5.765)  ( 0.21,  0.15,  0.09)
173:     bond    (  3.908,   5.356,  -3.020)  (  3.913,   5.364,  -3.017)  ( 0.11,  0.15,  0.08)
173:     angle   ( -1.013,   0.507,  -0.412)  ( -1.012,   0.508,  -0.409)  ( 0.12,  0.03,  0.12)
173:     torsion ( -1.277,  -0.746,  -2.982)  ( -1.277,  -0.746,  -2.982)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.905,   0.007,   0.589)  (  0.905,   0.007,   0.589)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.029,   0.272,   0.054)  ( -0.029,   0.272,   0.054)  ( 0.00,  0.00,  0.00)
173: 41       ( -0.002,  -4.405,   6.787)  (  0.000,  -4.402,   6.801)  ( 0.00,  0.06,  0.20)
173:     bond    (  1.119,  -0.900,   5.841)  (  1.120,  -0.900,   5.855)  ( 0.04,  0.03,  0.23)
173:     angle   (  0.861,  -2.684,  -0.577)  (  0.863,  -2.682,  -0.577)  ( 0.19,  0.09,  0.00)
173:     torsion ( -2.950,  -2.613,   0.162)  ( -2.950,  -2.613,   0.162)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.125,   1.757,   1.262)  (  1.125,   1.757,   1.262)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.157,   0.035,   0.098)  ( -0.157,   0.035,   0.098)  ( 0.00,  0.00,  0.00)
173: 42       (  8.231, -46.377,   3.047)  (  8.233, -46.373,   3.061)  ( 0.03,  0.01,  0.43)
173:     bond    ( -1.187,  -0.100,   3.673)  ( -1.186,  -0.100,   3.686)  ( 0.12,  0.00,  0.36)
173:     angle   (  9.928, -50.673,   1.815)  (  9.929, -50.669,   1.815)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.764,   3.743,  -0.144)  ( -0.764,   3.743,  -0.144)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.037,  -0.220,  -0.845)  (  0.037,  -0.220,  -0.844)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.230,  -1.064,  -4.099)  ( -2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       (-763.780, 211.175, 129.863)  (-763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, 208.396, 131.714)  (-760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,   0.202,   0.101)  (  0.445,   0.212,   0.107)  ( 0.37,  0.20,  0.06)
174:     torsion (  0.042,   0.042,  -0.074)  (  0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,   2.535,  -1.879)  ( -3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 43       (475.989, -552.554, -341.903)  (476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (473.237, -551.537, -337.801)  (473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,   0.094,  -0.043)  (  0.499,   0.101,  -0.035)  ( 0.50,  0.06,  0.03)
174:     torsion (  0.033,  -0.048,   0.040)  (  0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,  -1.064,  -4.099)  (  2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 44       (129.863, 763.591, -211.337)  (129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, 760.485, -208.536)  (131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,  -0.453,  -0.222)  (  0.107,  -0.445,  -0.212)  ( 0.06,  0.38,  0.22)
174:     torsion ( -0.074,  -0.043,  -0.044)  ( -0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,   3.603,  -2.535)  ( -1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 45       (-129.938, 763.591, -211.337)  (-129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (-131.774, 760.485, -208.536)  (-131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   ( -0.114,  -0.453,  -0.222)  ( -0.107,  -0.445,  -0.212)  ( 0.07,  0.38,  0.22)
174:     torsion (  0.071,  -0.043,  -0.044)  (  0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.878,   3.603,  -2.535)  (  1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 46       (129.863, -763.780, -211.337)  (129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, -760.656, -208.536)  (131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,   0.436,  -0.222)  (  0.107,   0.445,  -0.212)  ( 0.06,  0.37,  0.22)
174:     torsion ( -0.074,   0.042,  -0.044)  ( -0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,  -3.603,  -2.535)  ( -1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 47       (-341.903, -476.173, 552.444)  (-341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, -473.399, 551.443)  (-337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
174:     angle   ( -0.043,  -0.509,  -0.107)  ( -0.035,  -0.499,  -0.101)  ( 0.03,  0.52,  0.07)
174:     torsion (  0.040,  -0.034,   0.045)  (  0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,  -2.230,   1.064)  ( -4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 48       (-423.091,  -0.090, -682.022)  (-423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
174:     bond    (-423.243,  -0.078, -677.189)  (-423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
174:     angle   ( -0.295,  -0.011,  -0.091)  ( -0.291,   0.000,  -0.082)  ( 0.12,  0.01,  0.09)
174:     torsion ( -0.052,  -0.001,   0.015)  ( -0.050,  -0.000,   0.015)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.499,  -0.000,  -4.757)  (  0.499,   0.000,  -4.757)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfu_zvu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfv_zvv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfw_zvw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfx_zvx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfy_zvy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfz_zvz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bg1_ivl.sdf
173:     electro (  0.217,   0.873,  -1.452)  (  0.217,   0.873,  -1.452)  ( 0.00,  0.00,  0.00)
173: ok 24 # gradients 
173: ok 25 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 15.644, 125.382,   8.490)  ( 15.677, 125.410,   8.493)  ( 0.22,  0.02,  0.04)
173:     bond    ( 17.373,  73.022,   6.267)  ( 17.401,  73.042,   6.267)  ( 0.16,  0.03,  0.01)
173:     angle   ( -2.709,  52.504,   2.697)  ( -2.703,  52.513,   2.697)  ( 0.24,  0.02,  0.00)
173:     torsion (  0.078,   0.026,  -0.588)  (  0.078,   0.026,  -0.585)  ( 0.00,  0.00,  0.19)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.913,  -0.143,   0.026)  (  0.913,  -0.143,   0.026)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.012,  -0.028,   0.089)  ( -0.012,  -0.028,   0.089)  ( 0.00,  0.00,  0.00)
173:  2       (  3.413,   2.349,   0.643)  (  3.448,   2.385,   0.649)  ( 1.02,  1.53,  0.40)
173:     bond    (-27.832, -25.792,  -4.889)  (-27.806, -25.765,  -4.889)  ( 0.09,  0.10,  0.01)
173:     angle   ( 31.946,  28.998,   6.175)  ( 31.954,  29.007,   6.174)  ( 0.03,  0.03,  0.00)
173:     torsion (  0.090,   0.043,  -0.861)  (  0.090,   0.043,  -0.855)  ( 0.00,  0.00,  0.50)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.935,  -0.767,  -0.059)  ( -0.935,  -0.767,  -0.059)  ( 0.01,  0.00,  0.00)
173:     electro (  0.144,  -0.132,   0.277)  (  0.144,  -0.132,   0.277)  ( 0.00,  0.00,  0.00)
173:  3       (-60.076, -124.122, -11.442)  (-60.041, -124.085, -11.437)  ( 0.06,  0.03,  0.05)
173:     bond    ( -2.236, -32.032,  -2.221)  ( -2.211, -32.005,  -2.221)  ( 1.13,  0.08,  0.03)
173:     angle   (-35.495, -109.358, -13.161)  (-35.486, -109.349, -13.161)  ( 0.03,  0.01,  0.00)
173:     torsion ( -0.728,  -0.150,   6.625)  ( -0.728,  -0.150,   6.629)  ( 0.01,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.763,  17.707,  -2.867)  (-21.763,  17.708,  -2.867)  ( 0.00,  0.00,  0.00)
173:     electro (  0.146,  -0.289,   0.182)  (  0.146,  -0.289,   0.182)  ( 0.00,  0.00,  0.00)
173:  4       ( 69.645,  38.599,  20.809)  ( 69.675,  38.633,  20.812)  ( 0.04,  0.09,  0.02)
173:     bond    ( 80.610,  67.321,  13.988)  ( 80.629,  67.349,  13.988)  ( 0.02,  0.04,  0.00)
173:     angle   ( 13.985, -19.121,  10.319)  ( 13.995, -19.114,  10.320)  ( 0.07,  0.04,  0.01)
173:     torsion ( -0.030,  -0.023,  -5.570)  ( -0.030,  -0.023,  -5.568)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-24.861,  -9.584,   2.033)  (-24.861,  -9.584,   2.033)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.058,   0.005,   0.038)  ( -0.058,   0.005,   0.038)  ( 0.00,  0.00,  0.00)
173:  5       (-65.626,  46.637,  -7.647)  (-65.598,  46.667,  -7.621)  ( 0.04,  0.06,  0.35)
173:     bond    ( 38.092, -28.282,  -8.383)  ( 38.111, -28.263,  -8.364)  ( 0.05,  0.07,  0.22)
173:     angle   (-83.340,  67.151,  -0.747)  (-83.331,  67.161,  -0.740)  ( 0.01,  0.02,  0.49)
173:     torsion ( -0.408,   0.323,  -5.983)  ( -0.408,   0.323,  -5.982)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.691,   6.854,   8.178)  (-20.690,   6.854,   8.178)  ( 0.00,  0.01,  0.00)
173:     electro (  0.721,   0.593,  -0.712)  (  0.721,   0.593,  -0.712)  ( 0.00,  0.00,  0.00)
173:  6       (-84.995, -79.051, -15.103)  (-84.981, -79.036, -15.103)  ( 0.02,  0.02,  0.00)
173:     bond    (-74.810, -76.213, -12.570)  (-74.799, -76.202, -12.571)  ( 0.02,  0.01,  0.00)
173:     angle   ( -9.506,  -4.523,  -1.871)  ( -9.504,  -4.519,  -1.871)  ( 0.02,  0.07,  0.00)
173:     torsion (  0.115,   0.059,  -0.989)  (  0.115,   0.059,  -0.989)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.736,   1.636,  -0.101)  ( -0.735,   1.636,  -0.101)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bge_pyw.sdf
175:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
175:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
175:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
175:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
175:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bgg_844.sdf
173:     electro ( -0.058,  -0.011,   0.428)  ( -0.058,  -0.011,   0.428)  ( 0.00,  0.00,  0.00)
173:  7       ( 40.249,  17.933,  48.945)  ( 40.274,  17.958,  48.958)  ( 0.06,  0.14,  0.03)
173:     bond    ( 40.914,  20.980,  56.184)  ( 40.932,  20.998,  56.189)  ( 0.04,  0.09,  0.01)
173:     angle   (-15.006,  10.514, -13.322)  (-14.999,  10.520, -13.316)  ( 0.04,  0.06,  0.05)
173:     torsion (  2.866,  -3.976,  -5.494)  (  2.866,  -3.976,  -5.493)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 16.577,  -2.819,  10.063)  ( 16.578,  -2.819,  10.063)  ( 0.00,  0.01,  0.00)
173:     electro ( -5.103,  -6.765,   1.515)  ( -5.103,  -6.765,   1.515)  ( 0.00,  0.00,  0.00)
173:  8       ( 12.564,  -6.466,   0.379)  ( 12.567,  -6.454,   0.384)  ( 0.02,  0.18,  0.18)
173:     bond    ( -0.079,  -3.442,   1.689)  ( -0.079,  -3.431,   1.692)  ( 0.00,  0.33,  0.16)
173:     angle   ( 28.794,  -4.274,  -7.318)  ( 28.796,  -4.274,  -7.316)  ( 0.01,  0.01,  0.03)
173:     torsion (  0.796,   0.380,   0.808)  (  0.796,   0.380,   0.808)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.254,   0.282,   7.059)  (-17.253,   0.282,   7.059)  ( 0.00,  0.00,  0.00)
173:     electro (  0.307,   0.588,  -1.858)  (  0.307,   0.588,  -1.858)  ( 0.00,  0.00,  0.00)
173:  9       ( 11.619,  -5.680, -13.501)  ( 11.622,  -5.677, -13.487)  ( 0.03,  0.05,  0.10)
173:     bond    ( -2.283,  -2.038, -14.456)  ( -2.282,  -2.038, -14.442)  ( 0.02,  0.02,  0.09)
173:     angle   ( 19.832,  -7.343,  -2.099)  ( 19.834,  -7.341,  -2.099)  ( 0.01,  0.03,  0.00)
173:     torsion ( -0.663,  -0.886,   0.230)  ( -0.663,  -0.885,   0.230)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.080,   3.773,   2.609)  ( -4.080,   3.773,   2.609)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.186,   0.814,   0.214)  ( -1.186,   0.814,   0.214)  ( 0.00,  0.00,  0.00)
173: 10       ( 23.620, -63.059,  12.308)  ( 23.648, -63.031,  12.335)  ( 0.12,  0.04,  0.22)
173:     bond    (-19.896,  28.244, -15.298)  (-19.878,  28.263, -15.280)  ( 0.09,  0.07,  0.12)
173:     angle   ( 31.272, -66.499,  22.060)  ( 31.282, -66.490,  22.068)  ( 0.03,  0.01,  0.03)
173:     torsion (  1.847,  -0.313,   1.869)  (  1.847,  -0.313,   1.869)  ( 0.02,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.372, -24.536,   3.728)  ( 10.372, -24.536,   3.728)  ( 0.01,  0.00,  0.00)
173:     electro (  0.025,   0.045,  -0.052)  (  0.025,   0.045,  -0.052)  ( 0.00,  0.00,  0.00)
173: 11       ( 41.115,  31.887,  -3.911)  ( 41.142,  31.915,  -3.885)  ( 0.07,  0.09,  0.66)
173:     bond    ( 43.968, -11.102,   3.079)  ( 43.986, -11.083,   3.097)  ( 0.04,  0.17,  0.60)
173:     angle   ( -1.014,  54.715, -13.618)  ( -1.005,  54.724, -13.611)  ( 0.92,  0.02,  0.05)
173:     torsion ( -1.031,  -0.193,   8.022)  ( -1.031,  -0.193,   8.023)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.822, -11.659,  -1.434)  ( -0.822, -11.658,  -1.434)  ( 0.00,  0.00,  0.00)
173:     electro (  0.014,   0.126,   0.040)  (  0.014,   0.126,   0.040)  ( 0.00,  0.00,  0.00)
173: 12       (  3.568,  15.659,  -4.221)  (  3.576,  15.666,  -4.218)  ( 0.25,  0.05,  0.08)
173:     bond    ( -4.418,   3.835,   1.873)  ( -4.410,   3.841,   1.875)  ( 0.16,  0.14,  0.07)
173:     angle   ( 15.924,  23.570, -10.828)  ( 15.925,  23.571, -10.826)  ( 0.01,  0.01,  0.02)
173:     torsion ( -1.226,  -2.564,   2.369)  ( -1.226,  -2.564,   2.369)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.828,  -8.424,   2.591)  ( -6.828,  -8.423,   2.591)  ( 0.00,  0.00,  0.00)
173:     electro (  0.116,  -0.758,  -0.227)  (  0.116,  -0.758,  -0.227)  ( 0.00,  0.00,  0.00)
173: 13       ( -7.792,   7.327, -12.878)  ( -7.790,   7.330, -12.864)  ( 0.03,  0.04,  0.11)
173:     bond    ( -1.370,  -1.218, -16.275)  ( -1.370,  -1.218, -16.261)  ( 0.01,  0.01,  0.09)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bgi_i4i.sdf
173:     angle   ( -7.318,  10.209,  -0.149)  ( -7.316,  10.212,  -0.149)  ( 0.03,  0.02,  0.00)
173:     torsion ( -1.000,   4.473,  -0.251)  ( -1.000,   4.473,  -0.251)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.157,  -5.003,   3.406)  (  2.157,  -5.003,   3.406)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.261,  -1.134,   0.390)  ( -0.261,  -1.134,   0.390)  ( 0.00,  0.00,  0.00)
173: 14       (  1.114,   2.225,  12.550)  (  1.117,   2.229,  12.563)  ( 0.24,  0.19,  0.10)
173:     bond    ( -0.918,   5.582,  12.387)  ( -0.918,   5.584,  12.399)  ( 0.01,  0.04,  0.09)
173:     angle   (  4.322,  -6.752,   3.360)  (  4.325,  -6.750,   3.361)  ( 0.06,  0.03,  0.01)
173:     torsion ( -1.605,   4.216,  -2.018)  ( -1.605,   4.216,  -2.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.450,  -1.094,  -1.045)  ( -0.449,  -1.094,  -1.045)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.235,   0.273,  -0.135)  ( -0.235,   0.273,  -0.135)  ( 0.00,  0.00,  0.00)
173: 15       (  0.602,   4.550, -10.731)  (  0.605,   4.559, -10.723)  ( 0.18,  0.19,  0.07)
173:     bond    (  2.067,   8.217,  -7.378)  (  2.068,   8.225,  -7.372)  ( 0.03,  0.09,  0.08)
173:     angle   ( -3.740,   0.483,  -0.510)  ( -3.737,   0.484,  -0.509)  ( 0.06,  0.05,  0.06)
173:     torsion (  2.245,  -3.016,  -2.735)  (  2.245,  -3.016,  -2.735)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.402,  -1.119,   0.139)  (  0.402,  -1.119,   0.139)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.373,  -0.015,  -0.247)  ( -0.373,  -0.015,  -0.247)  ( 0.00,  0.00,  0.00)
173: 16       (-12.334, -24.086,  -1.982)  (-12.320, -24.082,  -1.981)  ( 0.11,  0.02,  0.05)
173:     bond    ( -5.657,   1.477,  -0.634)  ( -5.643,   1.478,  -0.634)  ( 0.24,  0.06,  0.01)
173:     angle   ( -6.330, -25.114,  -2.201)  ( -6.330, -25.111,  -2.201)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.132,  -0.056,   1.045)  ( -0.132,  -0.056,   1.045)  ( 0.00,  0.00,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.071,  -0.141,  -0.005)  (  0.072,  -0.141,  -0.005)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.286,  -0.251,  -0.186)  ( -0.286,  -0.251,  -0.186)  ( 0.00,  0.00,  0.00)
173: 17       ( 17.663,   7.046,   3.608)  ( 17.667,   7.061,   3.610)  ( 0.02,  0.21,  0.04)
173:     bond    ( -0.471,   5.579,   0.247)  ( -0.471,   5.593,   0.247)  ( 0.00,  0.26,  0.00)
173:     angle   ( 18.656,   1.475,   2.171)  ( 18.659,   1.475,   2.171)  ( 0.02,  0.00,  0.00)
173:     torsion ( -0.179,  -0.085,   1.574)  ( -0.178,  -0.085,   1.575)  ( 0.00,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.455,   0.245,  -0.061)  ( -0.455,   0.245,  -0.061)  ( 0.00,  0.00,  0.00)
173:     electro (  0.112,  -0.167,  -0.323)  (  0.112,  -0.167,  -0.323)  ( 0.00,  0.00,  0.00)
173: 18       (-13.242,  87.357, -29.874)  (-13.213,  87.386, -29.846)  ( 0.22,  0.03,  0.09)
173:     bond    (-34.100,  60.048, -72.323)  (-34.081,  60.067, -72.305)  ( 0.06,  0.03,  0.03)
173:     angle   ( 20.407,  22.661,  45.180)  ( 20.415,  22.670,  45.189)  ( 0.04,  0.04,  0.02)
173:     torsion ( -1.100,  -1.323,   1.620)  ( -1.100,  -1.322,   1.620)  ( 0.03,  0.05,  0.02)
173:     oop     (  0.091,   0.116,   0.000)  (  0.091,   0.116,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.333,   7.454,  -6.595)  ( -0.332,   7.454,  -6.594)  ( 0.01,  0.00,  0.00)
173:     electro (  1.794,  -1.599,   2.243)  (  1.794,  -1.599,   2.243)  ( 0.00,  0.00,  0.00)
173: 19       ( 29.669, -31.984, -46.828)  ( 29.694, -31.966, -46.791)  ( 0.09,  0.06,  0.08)
173:     bond    ( 26.636, -22.059, -27.238)  ( 26.652, -22.049, -27.209)  ( 0.06,  0.05,  0.11)
173:     angle   (  5.202, -28.237, -23.056)  (  5.209, -28.232, -23.047)  ( 0.13,  0.02,  0.04)
173:     torsion ( -1.939,  -2.164,  -0.218)  ( -1.937,  -2.161,  -0.218)  ( 0.09,  0.13,  0.00)
173:     oop     ( -0.059,  -0.068,   0.005)  ( -0.058,  -0.068,   0.005)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bgk_rtk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bgm_dlt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bhf_mzt.sdf
173:     vdw     ( -0.171,  20.586,   3.668)  ( -0.170,  20.586,   3.668)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.001,  -0.042,   0.010)  ( -0.001,  -0.042,   0.010)  ( 0.00,  0.00,  0.00)
173: 20       ( -0.167, -60.187,   5.067)  ( -0.150, -60.151,   5.095)  ( 0.28,  0.06,  0.56)
173:     bond    (-13.335, -59.208,  11.009)  (-13.323, -59.181,  11.030)  ( 0.09,  0.05,  0.19)
173:     angle   (-17.127,  -8.764, -10.876)  (-17.123,  -8.755, -10.870)  ( 0.02,  0.10,  0.06)
173:     torsion (  0.375,  -0.371,  -0.858)  (  0.375,  -0.371,  -0.858)  ( 0.02,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.586,   9.292,   2.173)  ( 22.587,   9.293,   2.173)  ( 0.00,  0.00,  0.01)
173:     electro (  7.334,  -1.138,   3.619)  (  7.334,  -1.138,   3.619)  ( 0.00,  0.00,  0.00)
173: 21       (  4.402,  -4.198, -11.567)  (  4.405,  -4.195, -11.553)  ( 0.07,  0.07,  0.12)
173:     bond    ( -0.975,  -1.277,  -9.190)  ( -0.975,  -1.276,  -9.176)  ( 0.02,  0.02,  0.15)
173:     angle   ( 11.082, -14.956,   0.902)  ( 11.085, -14.954,   0.903)  ( 0.02,  0.02,  0.01)
173:     torsion ( -0.864,  -1.105,   0.245)  ( -0.864,  -1.104,   0.245)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.242,  11.589,  -2.591)  ( -7.242,  11.589,  -2.591)  ( 0.01,  0.00,  0.00)
173:     electro (  2.400,   1.551,  -0.934)  (  2.400,   1.551,  -0.934)  ( 0.00,  0.00,  0.00)
173: 22       ( -5.881,   3.913,  18.792)  ( -5.855,   3.931,  18.829)  ( 0.44,  0.45,  0.20)
173:     bond    ( 14.134,  -9.305,  74.126)  ( 14.151,  -9.296,  74.154)  ( 0.12,  0.11,  0.04)
173:     angle   (-12.973,   9.627, -31.669)  (-12.967,   9.631, -31.661)  ( 0.05,  0.04,  0.03)
173:     torsion (  1.582,   1.882,   0.008)  (  1.584,   1.886,   0.008)  ( 0.12,  0.20,  0.00)
173:     oop     (  0.113,   0.142,   0.000)  (  0.113,   0.142,   0.000)  ( 0.00,  0.01,  0.00)
173:     vdw     (-10.457,   3.861, -23.405)  (-10.457,   3.861, -23.404)  ( 0.00,  0.01,  0.00)
173:     electro (  1.720,  -2.294,  -0.268)  (  1.720,  -2.294,  -0.268)  ( 0.00,  0.00,  0.00)
173: 23       (-13.869,   8.487,  10.338)  (-13.842,   8.506,  10.373)  ( 0.19,  0.21,  0.34)
173:     bond    (-21.743,  16.102,  21.542)  (-21.724,  16.113,  21.567)  ( 0.09,  0.07,  0.11)
173:     angle   (  6.141,  -4.220,  14.969)  (  6.146,  -4.217,  14.978)  ( 0.08,  0.07,  0.06)
173:     torsion ( -0.978,  -1.333,   0.050)  ( -0.976,  -1.329,   0.050)  ( 0.20,  0.28,  0.00)
173:     oop     ( -0.037,  -0.048,  -0.000)  ( -0.037,  -0.048,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.075,  -1.504, -26.495)  (  2.075,  -1.504, -26.494)  ( 0.00,  0.00,  0.00)
173:     electro (  0.673,  -0.510,   0.273)  (  0.673,  -0.510,   0.273)  ( 0.00,  0.00,  0.00)
173: 24       ( -2.882,   2.485,   6.856)  ( -2.857,   2.502,   6.893)  ( 0.86,  0.69,  0.55)
173:     bond    ( -9.995,   7.266,  14.600)  ( -9.979,   7.275,  14.630)  ( 0.16,  0.13,  0.20)
173:     angle   ( -9.417,   7.281,   0.557)  ( -9.411,   7.285,   0.565)  ( 0.06,  0.05,  0.46)
173:     torsion (  0.613,   0.764,   0.016)  (  0.615,   0.768,   0.016)  ( 0.13,  0.28,  0.00)
173:     oop     ( -0.209,  -0.275,  -0.005)  ( -0.208,  -0.274,  -0.005)  ( 0.01,  0.01,  0.00)
173:     vdw     ( 16.237, -12.583,  -8.371)  ( 16.237, -12.583,  -8.371)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.111,   0.031,   0.058)  ( -0.111,   0.031,   0.058)  ( 0.00,  0.00,  0.00)
173: 25       (-13.655,  11.112,  -5.298)  (-13.630,  11.129,  -5.261)  ( 0.18,  0.16,  0.70)
173:     bond    (-36.528,  28.512,   0.130)  (-36.511,  28.523,   0.158)  ( 0.05,  0.04,  0.36)
173:     angle   (  5.526,  -3.478, -23.723)  (  5.531,  -3.475, -23.714)  ( 0.10,  0.10,  0.04)
173:     torsion ( -0.331,  -0.396,   0.008)  ( -0.329,  -0.392,   0.008)  ( 0.07,  0.14,  0.00)
173:     oop     (  0.226,   0.291,   0.007)  (  0.227,   0.292,   0.007)  ( 0.01,  0.01,  0.00)
173:     vdw     ( 17.509, -13.776,  18.233)  ( 17.510, -13.776,  18.233)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.058,  -0.042,   0.047)  ( -0.058,  -0.042,   0.047)  ( 0.00,  0.00,  0.00)
174: 49       (211.175, 129.863, 763.591)  (211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (208.396, 131.714, 760.485)  (208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
174:     angle   (  0.202,   0.101,  -0.453)  (  0.212,   0.107,  -0.445)  ( 0.20,  0.06,  0.38)
174:     torsion (  0.042,  -0.074,  -0.043)  (  0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.535,  -1.879,   3.603)  (  2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 50       (-476.173, 552.444, -341.903)  (-476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, 551.443, -337.801)  (-473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,  -0.107,  -0.043)  ( -0.499,  -0.101,  -0.035)  ( 0.52,  0.07,  0.03)
174:     torsion ( -0.034,   0.045,   0.040)  ( -0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.230,   1.064,  -4.099)  ( -2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       (-129.938, -763.780, -211.337)  (-129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (-131.774, -760.656, -208.536)  (-131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   ( -0.114,   0.436,  -0.222)  ( -0.107,   0.445,  -0.212)  ( 0.07,  0.37,  0.22)
174:     torsion (  0.071,   0.042,  -0.044)  (  0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.878,  -3.603,  -2.535)  (  1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (341.770, -476.173, 552.444)  (341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, -473.399, 551.443)  (337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,  -0.509,  -0.107)  (  0.035,  -0.499,  -0.101)  ( 0.02,  0.52,  0.07)
174:     torsion ( -0.041,  -0.034,   0.045)  ( -0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,  -2.230,   1.064)  (  4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       (763.591, 211.175, 129.863)  (763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, 208.396, 131.714)  (760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,   0.202,   0.101)  ( -0.445,   0.212,   0.107)  ( 0.38,  0.20,  0.06)
174:     torsion ( -0.043,   0.042,  -0.074)  ( -0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.603,   2.535,  -1.879)  (  3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 54       ( -0.090, 681.819, 423.048)  (  0.000, 681.921, 423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, 677.006, 423.212)  (  0.000, 677.098, 423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,   0.072,   0.287)  (  0.000,   0.082,   0.291)  ( 0.01,  0.07,  0.11)
174:     torsion ( -0.001,  -0.016,   0.048)  (  0.000,  -0.015,   0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,   4.757,  -0.499)  ( -0.000,   4.757,  -0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       (341.770, 475.989, 552.444)  (341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, 473.237, 551.443)  (337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,   0.489,  -0.107)  (  0.035,   0.499,  -0.101)  ( 0.02,  0.50,  0.07)
174:     torsion ( -0.041,   0.033,   0.045)  ( -0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,   2.230,   1.064)  (  4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       (-341.903, 475.989, 552.444)  (-341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, 473.237, 551.443)  (-337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bhg_c2t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bhi_ruj.sdf
173: 26       ( 11.326, -10.841, -10.424)  ( 11.351, -10.824, -10.389)  ( 0.22,  0.16,  0.33)
173:     bond    (-10.517,   8.981, -69.682)  (-10.498,   8.993, -69.658)  ( 0.18,  0.13,  0.03)
173:     angle   ( 24.194, -18.411,  33.216)  ( 24.197, -18.409,  33.227)  ( 0.01,  0.01,  0.03)
173:     torsion ( -2.207,  -3.030,  -0.271)  ( -2.206,  -3.027,  -0.271)  ( 0.08,  0.09,  0.00)
173:     oop     ( -0.486,  -0.621,  -0.019)  ( -0.485,  -0.620,  -0.019)  ( 0.01,  0.02,  0.00)
173:     vdw     (  0.550,   1.323,  26.631)  (  0.550,   1.323,  26.631)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.207,   0.917,  -0.300)  ( -0.207,   0.917,  -0.300)  ( 0.00,  0.00,  0.00)
173: 27       (  2.749,   1.070,   9.025)  (  2.757,   1.075,   9.033)  ( 0.26,  0.44,  0.09)
173:     bond    (  3.982,  -2.885,   4.072)  (  3.988,  -2.882,   4.078)  ( 0.14,  0.10,  0.14)
173:     angle   ( -7.527,   5.758,  11.429)  ( -7.527,   5.758,  11.431)  ( 0.01,  0.01,  0.02)
173:     torsion (  4.283,   5.791,  -0.095)  (  4.284,   5.792,  -0.095)  ( 0.01,  0.02,  0.00)
173:     oop     (  0.007,   0.010,  -0.000)  (  0.007,   0.010,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.020, -10.163,  -7.420)  (  5.020, -10.163,  -7.420)  ( 0.00,  0.00,  0.00)
173:     electro ( -3.016,   2.559,   1.039)  ( -3.016,   2.559,   1.039)  ( 0.00,  0.00,  0.00)
173: 28       ( -1.597,   3.334,   2.891)  ( -1.590,   3.339,   2.898)  ( 0.44,  0.15,  0.26)
173:     bond    ( -1.478,   1.180,  -1.445)  ( -1.473,   1.184,  -1.440)  ( 0.38,  0.30,  0.37)
173:     angle   ( -3.422,   2.568,   5.608)  ( -3.421,   2.569,   5.610)  ( 0.02,  0.02,  0.04)
173:     torsion (  0.962,   1.225,   0.023)  (  0.962,   1.226,   0.023)  ( 0.05,  0.07,  0.00)
173:     oop     (  0.025,   0.031,   0.001)  (  0.025,   0.031,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.500,  -1.901,  -1.857)  (  2.500,  -1.901,  -1.857)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.183,   0.230,   0.561)  ( -0.183,   0.230,   0.561)  ( 0.00,  0.00,  0.00)
173: 29       ( -8.733,  10.082,  10.040)  ( -8.731,  10.083,  10.053)  ( 0.02,  0.01,  0.14)
173:     bond    (  0.030,  -0.009,  -0.395)  (  0.030,  -0.009,  -0.381)  ( 0.00,  0.00,  0.53)
173:     angle   (-24.364,  18.884,  -2.337)  (-24.363,  18.885,  -2.337)  ( 0.00,  0.00,  0.00)
173:     torsion (  2.811,   3.678,   0.138)  (  2.811,   3.678,   0.138)  ( 0.01,  0.01,  0.00)
173:     oop     (  0.174,   0.219,   0.009)  (  0.174,   0.219,   0.009)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.058, -12.723,  12.965)  ( 13.058, -12.723,  12.965)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.441,   0.033,  -0.340)  ( -0.441,   0.033,  -0.340)  ( 0.00,  0.00,  0.00)
173: 30       ( -0.964,  -2.347,   0.145)  ( -0.961,  -2.344,   0.159)  ( 0.28,  0.10,  0.21)
173:     bond    ( -0.121,   0.081,   1.060)  ( -0.121,   0.082,   1.075)  ( 0.00,  0.00,  1.33)
173:     angle   (  0.934,  -0.710,   0.159)  (  0.936,  -0.709,   0.159)  ( 0.20,  0.09,  0.00)
173:     torsion ( -1.521,  -2.022,  -0.018)  ( -1.520,  -2.021,  -0.018)  ( 0.03,  0.04,  0.00)
173:     oop     (  0.048,   0.063,   0.001)  (  0.048,   0.063,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.034,  -0.007,  -0.386)  (  0.034,  -0.007,  -0.386)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.338,   0.248,  -0.671)  ( -0.338,   0.248,  -0.671)  ( 0.00,  0.00,  0.00)
173: 31       ( -0.226,  -0.578,  -0.060)  ( -0.218,  -0.573,  -0.055)  ( 0.20,  0.33,  0.03)
173:     bond    ( -0.498,   0.367,   0.247)  ( -0.491,   0.372,   0.249)  ( 0.39,  0.17,  0.05)
173:     angle   (  0.007,  -0.017,   0.037)  (  0.008,  -0.017,   0.040)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.479,  -0.623,  -0.015)  ( -0.479,  -0.622,  -0.015)  ( 0.02,  0.05,  0.00)
173:     oop     (  0.104,   0.136,   0.002)  (  0.104,   0.136,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.295,  -0.221,  -0.167)  (  0.295,  -0.221,  -0.167)  ( 0.00,  0.00,  0.00)
173:     electro (  0.345,  -0.221,  -0.163)  (  0.345,  -0.221,  -0.163)  ( 0.00,  0.00,  0.00)
173: 32       (-25.368, -58.445,  -4.168)  (-25.360, -58.428,  -4.159)  ( 0.03,  0.03,  0.21)
173:     bond    (-37.897, -54.343, -32.702)  (-37.889, -54.328, -32.697)  ( 0.02,  0.03,  0.02)
173:     angle   ( -0.340,   0.990,  -1.257)  ( -0.340,   0.992,  -1.254)  ( 0.01,  0.15,  0.18)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bhn_bh9.sdf
175:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
175:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
175:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
175:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
175:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
175:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bhw_01k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bhz_z0b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bi0_z0w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bi1_zo6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bi2_zo8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bib_ieo.sdf
173:     torsion ( -0.962,   0.342,   0.547)  ( -0.962,   0.342,   0.547)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.496,  -8.517,  36.588)  ( 19.496,  -8.517,  36.589)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.665,   3.083,  -7.343)  ( -5.665,   3.083,  -7.343)  ( 0.00,  0.00,  0.00)
173: 33       ( 51.394,   5.706,  80.344)  ( 51.402,   5.723,  80.362)  ( 0.02,  0.30,  0.02)
173:     bond    ( 38.088, -37.097,  84.704)  ( 38.092, -37.086,  84.720)  ( 0.01,  0.03,  0.02)
173:     angle   ( 10.741,   8.517,  10.383)  ( 10.744,   8.522,  10.385)  ( 0.03,  0.06,  0.02)
173:     torsion ( -4.202,   1.286,   2.601)  ( -4.201,   1.286,   2.601)  ( 0.02,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.730,  29.919, -16.938)  (  7.730,  29.920, -16.938)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.963,   3.081,  -0.405)  ( -0.963,   3.081,  -0.405)  ( 0.00,  0.00,  0.00)
173: 34       (-37.323,  42.276, -81.401)  (-37.296,  42.302, -81.374)  ( 0.07,  0.06,  0.03)
173:     bond    (  0.211,  32.125, -12.515)  (  0.230,  32.142, -12.497)  ( 0.40,  0.06,  0.14)
173:     angle   (-22.919,   5.660, -35.599)  (-22.912,   5.669, -35.591)  ( 0.03,  0.15,  0.02)
173:     torsion (  2.511,  -1.101,  -2.384)  (  2.511,  -1.101,  -2.384)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.970,   6.141, -32.380)  (-17.970,   6.141, -32.379)  ( 0.00,  0.00,  0.00)
173:     electro (  0.844,  -0.549,   1.478)  (  0.844,  -0.549,   1.478)  ( 0.00,  0.00,  0.00)
173: 35       (  1.767,   0.470,   1.804)  (  1.772,   0.473,   1.816)  ( 0.28,  0.12,  0.62)
173:     bond    (  1.023,   0.055,   1.841)  (  1.026,   0.055,   1.852)  ( 0.32,  0.00,  0.58)
173:     angle   (  0.771,   0.161,  -0.434)  (  0.773,   0.164,  -0.433)  ( 0.12,  0.04,  0.02)
173:     torsion ( -0.225,   0.060,   0.123)  ( -0.225,   0.060,   0.123)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.081,  -0.268,   0.349)  (  0.081,  -0.268,   0.349)  ( 0.00,  0.00,  0.00)
173:     electro (  0.117,   0.463,  -0.075)  (  0.117,   0.463,  -0.075)  ( 0.00,  0.00,  0.00)
173: 36       (  8.993,  -2.785,   7.348)  (  8.998,  -2.777,   7.354)  ( 0.05,  0.27,  0.09)
173:     bond    (  1.748,  -2.436,  -2.251)  (  1.751,  -2.430,  -2.246)  ( 0.18,  0.24,  0.23)
173:     angle   (  8.379,  -4.308,  11.192)  (  8.381,  -4.306,  11.194)  ( 0.02,  0.03,  0.01)
173:     torsion (  0.616,   0.128,   0.342)  (  0.616,   0.128,   0.342)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.850,   3.192,  -2.499)  ( -2.850,   3.192,  -2.499)  ( 0.00,  0.00,  0.00)
173:     electro (  1.100,   0.638,   0.563)  (  1.100,   0.638,   0.563)  ( 0.00,  0.00,  0.00)
173: 37       (  3.026,  -2.642,  10.074)  (  3.039,  -2.638,  10.077)  ( 0.42,  0.13,  0.03)
173:     bond    ( -2.126,  -0.638,   0.376)  ( -2.114,  -0.637,   0.376)  ( 0.59,  0.07,  0.02)
173:     angle   (  4.279,  -5.791,  14.230)  (  4.279,  -5.789,  14.232)  ( 0.01,  0.04,  0.01)
173:     torsion (  0.003,   0.027,   0.062)  (  0.003,   0.027,   0.062)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.227,   3.093,  -5.770)  (  0.227,   3.093,  -5.770)  ( 0.00,  0.00,  0.00)
173:     electro (  0.644,   0.667,   1.176)  (  0.644,   0.667,   1.176)  ( 0.00,  0.00,  0.00)
173: ok 26 # gradients 
173: ok 27 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
173:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
173:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bic_ie4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bid_ie8.sdf
174:     angle   ( -0.043,   0.489,  -0.107)  ( -0.035,   0.499,  -0.101)  ( 0.03,  0.50,  0.07)
174:     torsion (  0.040,   0.033,   0.045)  (  0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,   2.230,   1.064)  ( -4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 57       (475.989, 552.444, -341.903)  (476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (473.237, 551.443, -337.801)  (473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,  -0.107,  -0.043)  (  0.499,  -0.101,  -0.035)  ( 0.50,  0.07,  0.03)
174:     torsion (  0.033,   0.045,   0.040)  (  0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,   1.064,  -4.099)  (  2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       (-763.780, -211.337, 129.863)  (-763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, -208.536, 131.714)  (-760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,  -0.222,   0.101)  (  0.445,  -0.212,   0.107)  ( 0.37,  0.22,  0.06)
174:     torsion (  0.042,  -0.044,  -0.074)  (  0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,  -2.535,  -1.879)  ( -3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (763.591, -211.337, 129.863)  (763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, -208.536, 131.714)  (760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,  -0.222,   0.101)  ( -0.445,  -0.212,   0.107)  ( 0.38,  0.22,  0.06)
174:     torsion ( -0.043,  -0.044,  -0.074)  ( -0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.603,  -2.535,  -1.879)  (  3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       ( -0.090, -682.022, 423.048)  (  0.000, -681.921, 423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, -677.189, 423.212)  (  0.000, -677.098, 423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,  -0.091,   0.287)  (  0.000,  -0.082,   0.291)  ( 0.01,  0.09,  0.11)
174:     torsion ( -0.001,   0.015,   0.048)  (  0.000,   0.015,   0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,  -4.757,  -0.499)  (  0.000,  -4.757,  -0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 18 # gradients 
174: ok 19 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-26.365,  -6.735,  -0.035)  (-26.271,  -6.630,  -0.032)  ( 0.36,  1.56,  0.01)
174:     bond    (-51.407, -21.524,  -0.453)  (-51.328, -21.431,  -0.453)  ( 0.15,  0.43,  0.00)
174:     angle   ( 28.516,  23.010,   2.629)  ( 28.532,  23.022,   2.628)  ( 0.05,  0.05,  0.02)
174:     torsion (  0.028,   0.027,  -2.311)  (  0.028,   0.027,  -2.306)  ( 0.00,  0.00,  0.18)
174:     vdw     ( -3.503,  -8.248,   0.099)  ( -3.503,  -8.248,   0.099)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 42.577,  18.173,   0.053)  ( 42.671,  18.274,   0.057)  ( 0.22,  0.56,  0.02)
174:     bond    ( 79.259, -24.256,  -0.982)  ( 79.338, -24.166,  -0.981)  ( 0.10,  0.37,  0.03)
174:     angle   (-31.061,  47.195,   3.394)  (-31.046,  47.207,   3.394)  ( 0.05,  0.02,  0.01)
174:     torsion ( -0.034,   0.018,  -1.739)  ( -0.034,   0.018,  -1.736)  ( 0.00,  0.00,  0.20)
174:     vdw     ( -5.588,  -4.785,  -0.620)  ( -5.587,  -4.784,  -0.620)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (1481.239, -10.907, -17.547)  (1481.306, -10.812, -17.538)  ( 0.00,  0.88,  0.05)
174:     bond    (1482.386,  49.293, -17.062)  (1482.436,  49.379, -17.056)  ( 0.00,  0.17,  0.03)
173:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
173:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
173:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
173:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
173:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
173:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
173:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
173:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
173:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
173:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
173:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
173:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
173:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
173:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
173:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
173:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
173:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
173:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
173:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
173:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
173:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
173:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
173:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
173:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
173:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
173:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
173:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
173:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
173:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
173:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
173:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
173:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
173:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
173:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
173:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bie_ie6.sdf
175:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
175:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
175:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
175:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
175:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
175:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bis_8hq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bky_82b.sdf
174:     angle   ( -3.766, -60.057,  -0.119)  ( -3.750, -60.047,  -0.117)  ( 0.43,  0.02,  0.02)
174:     torsion (  0.015,  -0.012,  -0.359)  (  0.015,  -0.012,  -0.357)  ( 0.00,  0.00,  0.09)
174:     vdw     (  2.605,  -0.132,  -0.008)  (  2.605,  -0.132,  -0.008)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (218.197, 351.442,  -5.584)  (218.285, 351.514,  -5.579)  ( 0.04,  0.02,  0.09)
174:     bond    (156.798, 315.167,  -4.502)  (156.875, 315.223,  -4.500)  ( 0.05,  0.02,  0.06)
174:     angle   ( 55.844,  32.080,  -0.601)  ( 55.856,  32.094,  -0.601)  ( 0.02,  0.05,  0.00)
174:     torsion ( -0.002,  -0.005,   0.943)  ( -0.002,  -0.005,   0.946)  ( 0.00,  0.00,  0.24)
174:     vdw     (  5.556,   4.201,  -1.424)  (  5.556,   4.201,  -1.424)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-203.363, -391.514,  -1.242)  (-203.352, -391.496,  -1.239)  ( 0.01,  0.00,  0.19)
174:     bond    (-224.009, -386.559,   5.182)  (-224.002, -386.542,   5.184)  ( 0.00,  0.00,  0.04)
174:     angle   ( -4.111,   2.380,   0.062)  ( -4.107,   2.381,   0.062)  ( 0.08,  0.05,  0.00)
174:     torsion (  0.004,   0.005,   0.542)  (  0.004,   0.005,   0.542)  ( 0.00,  0.00,  0.03)
174:     vdw     ( 24.753,  -7.340,  -7.027)  ( 24.754,  -7.340,  -7.027)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-745.376, 1325.888, -16.743)  (-745.286, 1325.961, -16.734)  ( 0.01,  0.01,  0.06)
174:     bond    (-680.841, 1288.888, -17.462)  (-680.761, 1288.945, -17.456)  ( 0.01,  0.00,  0.03)
174:     angle   (-62.286,  33.325,   2.422)  (-62.276,  33.341,   2.424)  ( 0.02,  0.05,  0.06)
174:     torsion ( -0.001,  -0.005,  -1.701)  ( -0.001,  -0.005,  -1.699)  ( 0.00,  0.00,  0.14)
174:     vdw     ( -2.248,   3.679,  -0.003)  ( -2.248,   3.679,  -0.003)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-379.576,  -9.468,  -4.080)  (-379.510,  -9.372,  -4.075)  ( 0.02,  1.02,  0.12)
174:     bond    (-388.385,  67.010,  -2.879)  (-388.333,  67.095,  -2.877)  ( 0.01,  0.13,  0.08)
174:     angle   (  9.372, -71.185,  -1.456)  (  9.385, -71.173,  -1.456)  ( 0.14,  0.02,  0.03)
174:     torsion ( -0.012,  -0.012,   1.120)  ( -0.012,  -0.012,   1.123)  ( 0.00,  0.00,  0.27)
174:     vdw     ( -0.551,  -5.281,  -0.866)  ( -0.550,  -5.281,  -0.866)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (437.367, -12.590,   0.525)  (437.388, -12.583,   0.527)  ( 0.00,  0.06,  0.12)
174:     bond    (440.100,  -5.846,   2.920)  (440.121,  -5.844,   2.922)  ( 0.00,  0.03,  0.06)
174:     angle   (  0.050,   3.730,  -0.126)  (  0.050,   3.734,  -0.126)  ( 0.00,  0.12,  0.00)
174:     torsion ( -0.001,   0.001,   0.156)  ( -0.001,   0.001,   0.157)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -2.782, -10.475,  -2.426)  ( -2.782, -10.474,  -2.426)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-1298.501, -414.353, -25.601)  (-1298.426, -414.267, -25.591)  ( 0.01,  0.02,  0.04)
174:     bond    (-1389.179, -512.381, -26.576)  (-1389.117, -512.307, -26.570)  ( 0.00,  0.01,  0.02)
174:     angle   ( 90.035,  97.583,   1.312)  ( 90.048,  97.595,   1.314)  ( 0.02,  0.01,  0.15)
174:     torsion ( -0.002,   0.019,  -0.340)  ( -0.002,   0.019,  -0.338)  ( 0.00,  0.00,  0.08)
174:     vdw     (  0.645,   0.427,   0.003)  (  0.645,   0.427,   0.003)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (-172.645,  75.624,   0.228)  (-172.591,  75.695,   0.232)  ( 0.03,  0.09,  0.08)
174:     bond    (-98.169,   9.837,   0.225)  (-98.126,   9.903,   0.225)  ( 0.04,  0.68,  0.01)
174:     angle   (-68.504,  69.057,  -0.619)  (-68.494,  69.061,  -0.617)  ( 0.02,  0.01,  0.11)
174:     torsion (  0.018,  -0.014,   1.257)  (  0.018,  -0.014,   1.258)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -5.989,  -3.255,  -0.635)  ( -5.989,  -3.255,  -0.635)  ( 0.00,  0.00,  0.00)
173:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
173:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
173:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
173:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
173:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
173:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
173:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
173:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
173:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
173:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
173:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
173: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
173:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
173:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
173:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
173:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
173: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
173:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
173:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
173:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
173: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
173:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
173:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
173:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
173: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
173:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
173:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
173:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
173:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
173: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
173:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bkz_1ws.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       ( -1.370, -112.984,  -1.408)  ( -1.281, -112.907,  -1.405)  ( 6.45,  0.07,  0.18)
174:     bond    ( 10.704,  61.334,   0.663)  ( 10.779,  61.399,   0.664)  ( 0.70,  0.10,  0.05)
174:     angle   (-16.150, -176.774,  -2.413)  (-16.137, -176.761,  -2.413)  ( 0.08,  0.01,  0.01)
174:     torsion ( -0.004,  -0.005,   0.241)  ( -0.004,  -0.005,   0.243)  ( 0.00,  0.00,  0.05)
174:     vdw     (  4.081,   2.460,   0.102)  (  4.081,   2.460,   0.102)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (1511.671, 514.801,  32.839)  (1511.714, 514.855,  32.892)  ( 0.00,  0.01,  0.16)
174:     bond    (1515.153, 517.997,  31.429)  (1515.184, 518.038,  31.470)  ( 0.00,  0.01,  0.13)
174:     angle   ( -2.913,  -1.712,   0.561)  ( -2.901,  -1.699,   0.572)  ( 0.43,  0.76,  0.58)
174:     torsion ( -0.009,  -0.018,   0.871)  ( -0.009,  -0.018,   0.871)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -0.560,  -1.465,  -0.022)  ( -0.560,  -1.465,  -0.022)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-1597.410, -19.629,  16.286)  (-1597.368, -19.574,  16.339)  ( 0.00,  0.28,  0.32)
174:     bond    (-1606.438, -16.395,  16.722)  (-1606.408, -16.353,  16.764)  ( 0.00,  0.25,  0.25)
174:     angle   (  6.182,   1.035,  -0.764)  (  6.194,   1.048,  -0.753)  ( 0.20,  1.27,  0.80)
174:     torsion (  0.004,   0.001,   0.323)  (  0.004,   0.001,   0.323)  ( 0.00,  0.00,  0.01)
174:     vdw     (  2.842,  -4.270,   0.006)  (  2.843,  -4.270,   0.006)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (767.883, -1400.424,  14.698)  (767.935, -1400.378,  14.751)  ( 0.01,  0.00,  0.36)
174:     bond    (773.726, -1413.341,  15.101)  (773.765, -1413.308,  15.143)  ( 0.01,  0.00,  0.28)
174:     angle   ( -2.491,   8.410,  -1.096)  ( -2.478,   8.422,  -1.085)  ( 0.52,  0.15,  0.96)
174:     torsion ( -0.003,   0.007,   0.696)  ( -0.003,   0.007,   0.696)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -3.349,   4.500,  -0.003)  ( -3.348,   4.501,  -0.003)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (  2.573,  35.827,   0.685)  (  2.579,  35.856,   0.685)  ( 0.23,  0.08,  0.03)
174:     bond    ( -0.167,  36.326,   0.800)  ( -0.167,  36.355,   0.800)  ( 0.00,  0.08,  0.01)
174:     angle   ( -1.606,   0.002,  -0.444)  ( -1.600,   0.002,  -0.444)  ( 0.35,  0.00,  0.01)
174:     torsion (  0.001,  -0.006,   0.275)  (  0.001,  -0.006,   0.276)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.345,  -0.496,   0.053)  (  4.345,  -0.496,   0.053)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( -5.358, -55.102,  -3.092)  ( -5.354, -55.074,  -3.088)  ( 0.06,  0.05,  0.13)
174:     bond    ( -0.905, -54.774,  -2.312)  ( -0.905, -54.746,  -2.313)  ( 0.02,  0.05,  0.01)
174:     angle   (  2.713,  -0.017,  -0.653)  (  2.717,  -0.017,  -0.649)  ( 0.12,  0.00,  0.27)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -7.166,  -0.310,  -0.127)  ( -7.166,  -0.310,  -0.127)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (-23.805,  13.685,  42.227)  (-23.797,  13.691,  42.247)  ( 0.04,  0.04,  0.05)
174:     bond    (-23.472,  15.259,  41.413)  (-23.466,  15.262,  41.432)  ( 0.03,  0.02,  0.05)
174:     angle   (  0.354,  -0.124,   0.245)  (  0.356,  -0.120,   0.246)  ( 0.09,  0.04,  0.03)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.687,  -1.450,   0.570)  ( -0.687,  -1.450,   0.570)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-26.013,  17.980, -45.828)  (-26.004,  17.987, -45.809)  ( 0.03,  0.04,  0.04)
173:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
173:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
173:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
173: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
173:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
173:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
173:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
173:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
173: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
173:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
173:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
173:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
173: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
173:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
173:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
173:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
173:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
173: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
173:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
173:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
173:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
173: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
173:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
173:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
173:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
173: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
173:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
173:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bli_gmk.sdf
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
173:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
173: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
173:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
173:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
173:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
173: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
173:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
173:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
173:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
173:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
173: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
173:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
173:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
173:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
173: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
173:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
173:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
173:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
173:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
173: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
173:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
173:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
173:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
173:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
173: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
173:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
173:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
173:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
173:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4blj_70b.sdf
173: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
173:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
173:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
173:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
173:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
173: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
173:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
173:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
173:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
173:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
173: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
173:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
173:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
173: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
173:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
173:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
173: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
173:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
173:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
173: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
173:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
173:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
173:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
173: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
173:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
175:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
175:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
175:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
175:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
175:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
175:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
174:     bond    (-25.679,  20.707, -44.275)  (-25.673,  20.711, -44.257)  ( 0.02,  0.02,  0.04)
174:     angle   (  0.650,  -0.562,  -0.642)  (  0.653,  -0.559,  -0.640)  ( 0.17,  0.19,  0.09)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.984,  -2.165,  -0.912)  ( -0.984,  -2.165,  -0.912)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 18.649,  13.540, -51.805)  ( 18.654,  13.545, -51.781)  ( 0.03,  0.04,  0.05)
174:     bond    ( 17.904,  14.252, -51.223)  ( 17.907,  14.254, -51.200)  ( 0.01,  0.01,  0.05)
174:     angle   ( -0.297,   0.111,  -0.072)  ( -0.295,   0.115,  -0.071)  ( 0.09,  0.04,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.042,  -0.823,  -0.511)  (  1.042,  -0.823,  -0.511)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       ( 26.856, -48.497,  14.020)  ( 26.862, -48.474,  14.025)  ( 0.02,  0.05,  0.04)
174:     bond    ( 19.705, -50.862,  13.120)  ( 19.708, -50.840,  13.122)  ( 0.02,  0.04,  0.01)
174:     angle   ( -4.217,  -1.717,  -0.326)  ( -4.214,  -1.717,  -0.322)  ( 0.07,  0.04,  0.13)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 11.368,   4.083,   1.226)  ( 11.368,   4.083,   1.226)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       ( 26.291,  34.034,  41.064)  ( 26.297,  34.049,  41.078)  ( 0.02,  0.04,  0.04)
174:     bond    ( 19.193,  38.169,  38.169)  ( 19.196,  38.181,  38.181)  ( 0.01,  0.03,  0.03)
174:     angle   ( -1.707,   1.023,  -0.171)  ( -1.704,   1.026,  -0.169)  ( 0.17,  0.22,  0.04)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.805,  -5.158,   3.066)  (  8.806,  -5.158,   3.066)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-45.738,   8.622,  38.333)  (-45.719,   8.625,  38.345)  ( 0.04,  0.04,  0.03)
174:     bond    (-45.865,  -2.697,  34.786)  (-45.848,  -2.697,  34.796)  ( 0.04,  0.01,  0.03)
174:     angle   ( -0.123,  -3.161,  -0.408)  ( -0.122,  -3.158,  -0.406)  ( 0.02,  0.11,  0.11)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.251,  14.480,   3.955)  (  0.251,  14.480,   3.955)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (  7.676,  59.393,  23.469)  (  7.690,  59.410,  23.476)  ( 0.17,  0.03,  0.03)
174:     bond    ( 35.496,  42.507,  18.313)  ( 35.506,  42.521,  18.315)  ( 0.03,  0.03,  0.01)
174:     angle   (  5.136,  -3.971,  -0.748)  (  5.138,  -3.970,  -0.744)  ( 0.04,  0.04,  0.28)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (-32.955,  20.858,   5.905)  (-32.954,  20.858,   5.905)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-16.429,  12.100, -51.807)  (-16.423,  12.105, -51.782)  ( 0.04,  0.04,  0.05)
174:     bond    (-16.682,  10.967, -51.378)  (-16.680,  10.968, -51.354)  ( 0.01,  0.01,  0.05)
174:     angle   (  0.190,   0.171,  -0.026)  (  0.194,   0.174,  -0.026)  ( 0.07,  0.06,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.063,   0.962,  -0.403)  (  0.063,   0.962,  -0.403)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 20 # gradients 
174: ok 21 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-43.157, -57.858, -15.760)  (-43.113, -57.813, -15.714)  ( 0.10,  0.08,  0.29)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bm8_a6j.sdf
173:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
173:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
173: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
173:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
173:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
173:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
173: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
173:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
173:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
173:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
173: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
173:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
173:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
173:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
173:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
173: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
173:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
173:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
173:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
173: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
173:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
173:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
173:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
173:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
173: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
173:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
173:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bmm_tu1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bn4_op2.sdf
173:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
173:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
173: ok 28 # gradients 
173: ok 29 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-266.482, -479.694, -43.813)  (-266.456, -479.664, -43.790)  ( 0.01,  0.01,  0.05)
173:     bond    (-76.378, -83.328,   5.828)  (-76.359, -83.306,   5.843)  ( 0.03,  0.03,  0.27)
173:     angle   (-184.516, -391.126, -46.098)  (-184.508, -391.119, -46.091)  ( 0.00,  0.00,  0.02)
173:     torsion (  1.060,  -0.726,   1.536)  (  1.060,  -0.726,   1.536)  ( 0.02,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.793,  -4.720,  -5.317)  ( -6.793,  -4.720,  -5.317)  ( 0.00,  0.00,  0.00)
173:     electro (  0.145,   0.206,   0.239)  (  0.145,   0.206,   0.239)  ( 0.00,  0.00,  0.00)
173:  2       (-132.059,  49.062, 150.864)  (-132.031,  49.085, 150.890)  ( 0.02,  0.05,  0.02)
173:     bond    ( -1.376,  30.055, -80.272)  ( -1.356,  30.069, -80.253)  ( 1.43,  0.04,  0.02)
173:     angle   (-124.451,  16.569, 235.148)  (-124.442,  16.579, 235.155)  ( 0.01,  0.06,  0.00)
173:     torsion ( -2.945,  -0.838,  -1.648)  ( -2.945,  -0.837,  -1.648)  ( 0.01,  0.03,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.377,   3.420,  -2.472)  ( -3.377,   3.420,  -2.472)  ( 0.00,  0.00,  0.00)
173:     electro (  0.090,  -0.145,   0.108)  (  0.090,  -0.145,   0.108)  ( 0.00,  0.00,  0.00)
173:  3       (110.160, 148.761, -292.810)  (110.190, 148.785, -292.785)  ( 0.03,  0.02,  0.01)
173:     bond    (  8.731,  23.950, -81.012)  (  8.753,  23.968, -80.997)  ( 0.25,  0.07,  0.02)
173:     angle   (101.841,  71.301, -240.322)  (101.848,  71.307, -240.312)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.513,  51.059,  29.046)  (  0.513,  51.059,  29.046)  ( 0.00,  0.00,  0.00)
173:     oop     ( -2.509,   2.630,   4.705)  ( -2.509,   2.630,   4.704)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.594,  -0.021,  -5.411)  (  1.595,  -0.021,  -5.411)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.011,  -0.158,   0.186)  ( -0.011,  -0.158,   0.186)  ( 0.00,  0.00,  0.00)
173:  4       (-30.625, 274.618, 409.412)  (-30.601, 274.644, 409.441)  ( 0.08,  0.01,  0.01)
173:     bond    (-18.678,  45.805, 103.924)  (-18.662,  45.823, 103.946)  ( 0.09,  0.04,  0.02)
173:     angle   ( -9.785, 221.954, 301.672)  ( -9.776, 221.961, 301.679)  ( 0.08,  0.00,  0.00)
173:     torsion (  0.405,   0.933,  -0.441)  (  0.406,   0.934,  -0.440)  ( 0.01,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.402,   6.262,   4.497)  ( -2.402,   6.263,   4.497)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.166,  -0.336,  -0.240)  ( -0.166,  -0.336,  -0.240)  ( 0.00,  0.00,  0.00)
173:  5       (-137.416, -531.065, -97.350)  (-137.384, -531.040, -97.333)  ( 0.02,  0.00,  0.02)
173:     bond    ( 88.506, -87.549,  -9.444)  ( 88.531, -87.530,  -9.433)  ( 0.03,  0.02,  0.12)
173:     angle   (-157.117, -341.106,  92.987)  (-157.111, -341.100,  92.994)  ( 0.00,  0.00,  0.01)
173:     torsion (-51.264, -122.036, -154.726)  (-51.263, -122.036, -154.727)  ( 0.00,  0.00,  0.00)
173:     oop     ( -1.611, -11.797, -24.093)  ( -1.610, -11.797, -24.093)  ( 0.01,  0.00,  0.00)
173:     vdw     (-15.854,  31.751,  -2.089)  (-15.853,  31.752,  -2.089)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.077,  -0.328,   0.014)  ( -0.077,  -0.328,   0.014)  ( 0.00,  0.00,  0.00)
173:  6       (245.381, 296.830,  31.668)  (245.414, 296.859,  31.682)  ( 0.01,  0.01,  0.04)
173:     bond    (-29.392, -55.954,  71.590)  (-29.364, -55.933,  71.598)  ( 0.09,  0.04,  0.01)
173:     angle   (185.102, 258.572, -102.084)  (185.107, 258.580, -102.079)  ( 0.00,  0.00,  0.00)
173:     torsion ( 62.393,  63.069,  66.961)  ( 62.393,  63.070,  66.961)  ( 0.00,  0.00,  0.00)
173:     oop     (  8.791,   9.410,  14.566)  (  8.791,   9.411,  14.567)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bn5_sr7.sdf
175:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
175:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
175:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
175:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
175:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bnf_pv4.sdf
173:     vdw     ( 18.952,  22.069, -19.310)  ( 18.952,  22.070, -19.310)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.465,  -0.337,  -0.055)  ( -0.465,  -0.337,  -0.055)  ( 0.00,  0.00,  0.00)
173:  7       (-401.813, -73.073,  28.170)  (-401.780, -73.042,  28.179)  ( 0.01,  0.04,  0.03)
173:     bond    (-149.923, -28.956,   2.127)  (-149.897, -28.932,   2.133)  ( 0.02,  0.08,  0.27)
173:     angle   (-208.356, -55.507,  -2.256)  (-208.351, -55.499,  -2.251)  ( 0.00,  0.01,  0.20)
173:     torsion (-70.028,  -4.287,  30.371)  (-70.028,  -4.286,  30.369)  ( 0.00,  0.00,  0.01)
173:     oop     (-12.729,   8.838,   8.229)  (-12.728,   8.838,   8.229)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 39.726,   6.305,  -9.508)  ( 39.727,   6.305,  -9.508)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.503,   0.533,  -0.794)  ( -0.503,   0.533,  -0.794)  ( 0.00,  0.00,  0.00)
173:  8       ( 89.558, -165.608, 378.995)  ( 89.583, -165.575, 379.011)  ( 0.03,  0.02,  0.00)
173:     bond    (-12.719, 127.733,  52.907)  (-12.701, 127.758,  52.919)  ( 0.14,  0.02,  0.02)
173:     angle   ( 59.540, -254.126, 333.740)  ( 59.549, -254.119, 333.744)  ( 0.01,  0.00,  0.00)
173:     torsion ( 16.921,   0.360, -13.615)  ( 16.921,   0.360, -13.616)  ( 0.00,  0.01,  0.01)
173:     oop     (  8.991,  -8.957,   3.518)  (  8.992,  -8.956,   3.518)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 17.205, -31.007,   3.025)  ( 17.205, -31.006,   3.025)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.381,   0.388,  -0.579)  ( -0.381,   0.388,  -0.579)  ( 0.00,  0.00,  0.00)
173:  9       (181.050, 212.936, -503.785)  (181.074, 212.952, -503.754)  ( 0.01,  0.01,  0.01)
173:     bond    ( 54.926,  21.639, -111.990)  ( 54.943,  21.649, -111.962)  ( 0.03,  0.05,  0.02)
173:     angle   (154.408, 215.364, -335.099)  (154.416, 215.371, -335.095)  ( 0.00,  0.00,  0.00)
173:     torsion (-22.776, -29.287, -77.090)  (-22.776, -29.288, -77.091)  ( 0.00,  0.00,  0.00)
173:     oop     ( 14.301,  11.997,  -6.900)  ( 14.301,  11.997,  -6.899)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.011,  -7.904,  28.441)  (-19.010,  -7.903,  28.441)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.798,   1.127,  -1.148)  ( -0.798,   1.127,  -1.148)  ( 0.00,  0.00,  0.00)
173: 10       (-110.980, -89.621, 508.052)  (-110.951, -89.590, 508.066)  ( 0.03,  0.03,  0.00)
173:     bond    ( 59.114,  26.350,  -5.703)  ( 59.132,  26.376,  -5.692)  ( 0.03,  0.10,  0.19)
173:     angle   (-159.699, -148.196, 364.979)  (-159.690, -148.191, 364.982)  ( 0.01,  0.00,  0.00)
173:     torsion ( 26.353,  29.164, 110.319)  ( 26.353,  29.164, 110.319)  ( 0.00,  0.00,  0.00)
173:     oop     ( -4.165,   8.811,  20.079)  ( -4.165,   8.811,  20.079)  ( 0.00,  0.00,  0.00)
173:     vdw     (-32.950,  -5.653,  18.948)  (-32.949,  -5.652,  18.948)  ( 0.00,  0.00,  0.00)
173:     electro (  0.368,  -0.097,  -0.570)  (  0.368,  -0.097,  -0.570)  ( 0.00,  0.00,  0.00)
173: 11       ( 56.378,  -4.697, -170.713)  ( 56.403,  -4.667, -170.689)  ( 0.05,  0.64,  0.01)
173:     bond    (-90.846, -30.106,   8.396)  (-90.828, -30.087,   8.413)  ( 0.02,  0.07,  0.20)
173:     angle   (119.802,  13.861, -237.361)  (119.810,  13.871, -237.353)  ( 0.01,  0.07,  0.00)
173:     torsion ( 29.207,  14.568,  65.225)  ( 29.207,  14.568,  65.225)  ( 0.00,  0.00,  0.00)
173:     oop     ( -3.616,  -0.940,  -3.440)  ( -3.616,  -0.940,  -3.440)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.733,  -2.762,  -2.198)  (  1.733,  -2.762,  -2.198)  ( 0.00,  0.00,  0.00)
173:     electro (  0.097,   0.683,  -1.336)  (  0.097,   0.683,  -1.336)  ( 0.00,  0.00,  0.00)
173: 12       (180.244, -95.216, -388.464)  (180.269, -95.191, -388.435)  ( 0.01,  0.03,  0.01)
173:     bond    ( 50.891, -34.511, -102.084)  ( 50.909, -34.494, -102.063)  ( 0.04,  0.05,  0.02)
173:     angle   (129.592, -56.377, -281.676)  (129.599, -56.369, -281.668)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.461,   0.236,  -0.331)  ( -0.461,   0.236,  -0.331)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.263,  -4.446,  -3.428)  (  0.263,  -4.446,  -3.428)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.041,  -0.118,  -0.945)  ( -0.041,  -0.118,  -0.945)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bng_5pp.sdf
173: 13       (177.159, -749.884, 357.327)  (177.174, -749.860, 357.355)  ( 0.01,  0.00,  0.01)
173:     bond    (-44.902, -130.055, 126.312)  (-44.885, -130.041, 126.343)  ( 0.04,  0.01,  0.02)
173:     angle   (216.616, -602.738, 233.791)  (216.618, -602.728, 233.790)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.742, -11.601,  -8.917)  (  1.740, -11.601,  -8.919)  ( 0.13,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.733,  -4.260,   5.522)  (  3.734,  -4.260,   5.522)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.031,  -1.230,   0.619)  ( -0.031,  -1.230,   0.619)  ( 0.00,  0.00,  0.00)
173: 14       (-556.433, 545.313, 144.224)  (-556.456, 545.339, 144.202)  ( 0.00,  0.00,  0.02)
173:     bond    ( 81.201, 143.057, -90.224)  ( 81.207, 143.080, -90.217)  ( 0.01,  0.02,  0.01)
173:     angle   (-649.254, 403.667, 216.950)  (-649.268, 403.671, 216.934)  ( 0.00,  0.00,  0.01)
173:     torsion (  7.273,   2.361,  10.183)  (  7.258,   2.361,  10.170)  ( 0.20,  0.00,  0.13)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.736,  -4.191,   9.144)  (  4.736,  -4.190,   9.144)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.389,   0.418,  -1.830)  ( -0.389,   0.418,  -1.830)  ( 0.00,  0.00,  0.00)
173: 15       ( 76.350, 389.501, -193.205)  ( 76.358, 389.506, -193.187)  ( 0.01,  0.00,  0.01)
173:     bond    (-16.374,  -6.624, -25.478)  (-16.366,  -6.622, -25.460)  ( 0.05,  0.02,  0.07)
173:     angle   (100.420, 396.337, -167.640)  (100.420, 396.341, -167.641)  ( 0.00,  0.00,  0.00)
173:     torsion ( -2.927,   5.455,   0.463)  ( -2.927,   5.455,   0.463)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.167,   0.434,  -0.320)  ( -0.167,   0.434,  -0.319)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.602,  -6.102,  -0.229)  ( -4.602,  -6.102,  -0.229)  ( 0.00,  0.00,  0.00)
173: 16       ( 78.937, 133.256, -20.896)  ( 78.950, 133.259, -20.894)  ( 0.02,  0.00,  0.01)
173:     bond    ( 57.660,  -9.711,  -1.294)  ( 57.674,  -9.710,  -1.293)  ( 0.02,  0.01,  0.02)
173:     angle   ( 24.213, 146.344, -19.060)  ( 24.213, 146.346, -19.059)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.031,   0.059,   0.940)  (  0.031,   0.059,   0.940)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.860,  -3.336,  -1.462)  ( -2.860,  -3.336,  -1.462)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.107,  -0.099,  -0.020)  ( -0.107,  -0.099,  -0.020)  ( 0.00,  0.00,  0.00)
173: 17       ( 96.618, 110.889, -34.524)  ( 96.621, 110.897, -34.515)  ( 0.00,  0.01,  0.03)
173:     bond    (  0.060,  35.420,  37.564)  (  0.060,  35.427,  37.571)  ( 0.00,  0.02,  0.02)
173:     angle   ( 97.288,  76.300, -72.104)  ( 97.290,  76.301, -72.103)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.377,   0.283,  -0.266)  ( -0.377,   0.283,  -0.266)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.298,  -0.992,   0.292)  ( -0.298,  -0.992,   0.292)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.055,  -0.122,  -0.010)  ( -0.055,  -0.122,  -0.010)  ( 0.00,  0.00,  0.00)
173: 18       (152.532, 125.133,  49.263)  (152.534, 125.140,  49.273)  ( 0.00,  0.01,  0.02)
173:     bond    (  1.891,  37.018, -40.293)  (  1.892,  37.025, -40.286)  ( 0.01,  0.02,  0.02)
173:     angle   (152.656,  91.410,  91.178)  (152.658,  91.411,  91.179)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.516,  -0.455,  -0.394)  (  0.516,  -0.455,  -0.394)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.445,  -2.751,  -1.170)  ( -2.445,  -2.751,  -1.170)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.086,  -0.090,  -0.057)  ( -0.086,  -0.090,  -0.057)  ( 0.00,  0.00,  0.00)
173: 19       ( 33.598,  47.349,  77.603)  ( 33.602,  47.354,  77.613)  ( 0.01,  0.01,  0.01)
173:     bond    ( 19.727, -25.506,  49.933)  ( 19.729, -25.503,  49.943)  ( 0.01,  0.01,  0.02)
173:     angle   ( 16.295,  69.516,  29.060)  ( 16.297,  69.518,  29.061)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bnt_36e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bnu_9kq.sdf
173:     torsion (  1.324,  -0.032,  -0.539)  (  1.324,  -0.032,  -0.539)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.715,   3.219,  -0.642)  ( -3.715,   3.219,  -0.642)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.034,   0.151,  -0.208)  ( -0.034,   0.151,  -0.208)  ( 0.00,  0.00,  0.00)
173: 20       ( 90.303,  55.220,  37.006)  ( 90.306,  55.226,  37.017)  ( 0.00,  0.01,  0.03)
173:     bond    (  0.943,  37.503,  57.728)  (  0.944,  37.507,  57.738)  ( 0.03,  0.01,  0.02)
173:     angle   ( 87.895,  16.775, -12.335)  ( 87.898,  16.776, -12.334)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.010,   0.212,  -0.138)  (  0.010,   0.212,  -0.138)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.240,   0.796,  -8.184)  (  1.240,   0.796,  -8.184)  ( 0.02,  0.00,  0.00)
173:     electro (  0.215,  -0.065,  -0.065)  (  0.215,  -0.065,  -0.065)  ( 0.00,  0.00,  0.00)
173: 21       (-63.090, -43.510, -52.283)  (-63.085, -43.498, -52.281)  ( 0.01,  0.03,  0.00)
173:     bond    (-21.882, -53.796,   9.267)  (-21.880, -53.784,   9.268)  ( 0.01,  0.02,  0.01)
173:     angle   (-42.282,   6.801, -60.352)  (-42.280,   6.801, -60.350)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.135,   0.242,   1.726)  (  0.135,   0.242,   1.726)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.898,   3.181,  -2.868)  (  0.899,   3.181,  -2.868)  ( 0.02,  0.00,  0.00)
173:     electro (  0.041,   0.062,  -0.056)  (  0.041,   0.062,  -0.056)  ( 0.00,  0.00,  0.00)
173: 22       (-26.831, -85.474, -162.750)  (-26.818, -85.471, -162.747)  ( 0.05,  0.00,  0.00)
173:     bond    ( 48.229, -13.904, -17.372)  ( 48.241, -13.903, -17.370)  ( 0.02,  0.01,  0.01)
173:     angle   (-75.013, -75.597, -147.824)  (-75.012, -75.596, -147.822)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.039,   0.436,  -0.240)  (  0.039,   0.436,  -0.240)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.104,   3.478,   2.557)  ( -0.104,   3.478,   2.557)  ( 0.00,  0.00,  0.00)
173:     electro (  0.018,   0.113,   0.128)  (  0.018,   0.113,   0.128)  ( 0.00,  0.00,  0.00)
173: 23       ( 33.747, -52.410, -106.699)  ( 33.750, -52.404, -106.689)  ( 0.01,  0.01,  0.01)
173:     bond    (-16.946,  27.100, -50.783)  (-16.944,  27.103, -50.773)  ( 0.01,  0.01,  0.02)
173:     angle   ( 51.568, -82.556, -61.278)  ( 51.570, -82.553, -61.278)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.261,  -0.133,   0.016)  ( -0.261,  -0.133,   0.016)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.764,   3.067,   5.256)  ( -0.764,   3.067,   5.256)  ( 0.00,  0.00,  0.00)
173:     electro (  0.149,   0.111,   0.090)  (  0.149,   0.111,   0.090)  ( 0.00,  0.00,  0.00)
173: 24       ( 49.461, -53.866, -118.082)  ( 49.465, -53.854, -118.079)  ( 0.01,  0.02,  0.00)
173:     bond    (-19.199, -42.597,  -7.004)  (-19.197, -42.585,  -7.004)  ( 0.01,  0.03,  0.01)
173:     angle   ( 70.070, -12.969, -113.206)  ( 70.072, -12.969, -113.204)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.095,  -0.051,   0.051)  (  0.095,  -0.051,   0.051)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.554,   1.700,   1.922)  ( -1.554,   1.700,   1.922)  ( 0.00,  0.00,  0.00)
173:     electro (  0.049,   0.051,   0.155)  (  0.049,   0.051,   0.155)  ( 0.00,  0.00,  0.00)
173: 25       (-25.952,  20.240,  -3.550)  (-25.947,  20.250,  -3.547)  ( 0.02,  0.05,  0.09)
173:     bond    (  1.906,   3.328,  -1.859)  (  1.909,   3.337,  -1.856)  ( 0.15,  0.26,  0.15)
173:     angle   (-23.590,   6.922, -11.820)  (-23.588,   6.923, -11.820)  ( 0.01,  0.01,  0.00)
173:     torsion ( -5.397,  12.560,  17.032)  ( -5.397,  12.561,  17.032)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.943,  -3.058,  -6.468)  ( -0.943,  -3.058,  -6.468)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bnv_q7u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bnx_o74.sdf
173:     vdw     (  1.851,   0.130,  -0.420)  (  1.851,   0.130,  -0.420)  ( 0.00,  0.00,  0.00)
173:     electro (  0.220,   0.357,  -0.016)  (  0.220,   0.357,  -0.016)  ( 0.00,  0.00,  0.00)
173: 26       ( 48.248, -41.655, -49.930)  ( 48.259, -41.652, -49.928)  ( 0.02,  0.01,  0.00)
173:     bond    (  9.516,   2.414,   4.595)  (  9.527,   2.415,   4.598)  ( 0.12,  0.03,  0.06)
173:     angle   ( -4.786, -23.109,  22.053)  ( -4.786, -23.107,  22.054)  ( 0.00,  0.01,  0.00)
173:     torsion ( 38.058, -14.848, -71.060)  ( 38.058, -14.848, -71.061)  ( 0.00,  0.00,  0.00)
173:     oop     (  4.587,  -5.572,  -6.578)  (  4.587,  -5.572,  -6.578)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.374,  -0.651,   0.336)  (  0.374,  -0.651,   0.336)  ( 0.00,  0.00,  0.00)
173:     electro (  0.499,   0.111,   0.724)  (  0.499,   0.111,   0.724)  ( 0.00,  0.00,  0.00)
173: 27       (-40.977,   7.509,  19.060)  (-40.974,   7.509,  19.074)  ( 0.01,  0.00,  0.07)
173:     bond    (  1.028,  -0.156,   4.309)  (  1.029,  -0.156,   4.323)  ( 0.07,  0.00,  0.32)
173:     angle   (-13.326,  32.552,   4.350)  (-13.325,  32.553,   4.350)  ( 0.01,  0.00,  0.00)
173:     torsion (-20.425, -20.126,   4.133)  (-20.425, -20.127,   4.133)  ( 0.00,  0.00,  0.00)
173:     oop     ( -8.448,  -5.700,   1.805)  ( -8.448,  -5.700,   1.805)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.589,   1.362,   3.138)  ( -0.589,   1.362,   3.138)  ( 0.00,  0.00,  0.00)
173:     electro (  0.783,  -0.423,   1.325)  (  0.783,  -0.423,   1.325)  ( 0.00,  0.00,  0.00)
173: 28       (-97.293, 158.369, -77.769)  (-97.282, 158.372, -77.764)  ( 0.01,  0.00,  0.01)
173:     bond    ( -9.367,  -1.702,   6.347)  ( -9.357,  -1.702,   6.352)  ( 0.10,  0.02,  0.07)
173:     angle   (-80.364, 143.566, -79.911)  (-80.363, 143.569, -79.911)  ( 0.00,  0.00,  0.00)
173:     torsion ( -6.084,  24.848,  -2.304)  ( -6.084,  24.848,  -2.303)  ( 0.00,  0.00,  0.01)
173:     oop     ( -2.651,  -5.664,  -5.423)  ( -2.651,  -5.664,  -5.423)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.654,  -3.117,   3.458)  (  1.654,  -3.117,   3.458)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.480,   0.438,   0.064)  ( -0.480,   0.438,   0.064)  ( 0.00,  0.00,  0.00)
173: 29       ( 46.424,  30.854,  66.418)  ( 46.435,  30.860,  66.421)  ( 0.02,  0.02,  0.00)
173:     bond    ( 61.542,  36.037,   8.889)  ( 61.552,  36.041,   8.890)  ( 0.02,  0.01,  0.01)
173:     angle   (-12.493,   3.768,  71.212)  (-12.492,   3.770,  71.214)  ( 0.01,  0.05,  0.00)
173:     torsion (  0.930,  -1.144,  -1.798)  (  0.930,  -1.144,  -1.798)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.446,  -8.200, -12.840)  ( -4.446,  -8.199, -12.840)  ( 0.00,  0.00,  0.00)
173:     electro (  0.892,   0.393,   0.955)  (  0.892,   0.393,   0.955)  ( 0.00,  0.00,  0.00)
173: 30       (-48.239,  25.591, 117.949)  (-48.237,  25.605, 117.952)  ( 0.00,  0.05,  0.00)
173:     bond    ( -6.792,  53.013,   9.932)  ( -6.792,  53.026,   9.933)  ( 0.01,  0.03,  0.01)
173:     angle   (-43.464, -26.225, 110.281)  (-43.462, -26.225, 110.283)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.154,   0.032,   0.620)  (  1.154,   0.032,   0.620)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.846,  -1.353,  -3.547)  (  0.846,  -1.353,  -3.547)  ( 0.00,  0.00,  0.00)
173:     electro (  0.017,   0.124,   0.662)  (  0.017,   0.124,   0.662)  ( 0.00,  0.00,  0.00)
173: 31       (-56.565,  43.312, 101.137)  (-56.560,  43.315, 101.148)  ( 0.01,  0.01,  0.01)
173:     bond    ( 23.742, -12.645,  46.900)  ( 23.745, -12.644,  46.910)  ( 0.01,  0.01,  0.02)
173:     angle   (-81.124,  57.327,  56.513)  (-81.122,  57.329,  56.514)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.177,  -0.309,   0.007)  ( -0.177,  -0.309,   0.007)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.958,  -1.189,  -2.767)  (  0.958,  -1.189,  -2.767)  ( 0.00,  0.00,  0.00)
173:     electro (  0.037,   0.127,   0.484)  (  0.037,   0.127,   0.484)  ( 0.00,  0.00,  0.00)
173: 32       (-45.479,  41.742, 115.912)  (-45.466,  41.746, 115.915)  ( 0.03,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bny_36i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bnz_8m5.sdf
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
175:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
175:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
175:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
175:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo0_fxe.sdf
174:     bond    (-35.273, -59.048,  -4.681)  (-35.239, -59.012,  -4.645)  ( 0.10,  0.06,  0.77)
174:     angle   (  2.958,  -4.652,  -6.413)  (  2.968,  -4.643,  -6.403)  ( 0.35,  0.21,  0.15)
174:     torsion (-10.119,   7.010,  -5.676)  (-10.119,   7.010,  -5.676)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.723,  -1.168,   1.011)  ( -0.723,  -1.168,   1.011)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-100.883,  87.937,  23.820)  (-100.833,  87.984,  23.865)  ( 0.05,  0.05,  0.19)
174:     bond    (-17.248,  54.348,  -8.568)  (-17.211,  54.384,  -8.534)  ( 0.21,  0.07,  0.40)
174:     angle   (-68.485,  29.034,  43.678)  (-68.473,  29.044,  43.688)  ( 0.02,  0.04,  0.02)
174:     torsion (-12.304,   3.441,  -6.010)  (-12.304,   3.441,  -6.009)  ( 0.00,  0.01,  0.01)
174:     vdw     ( -2.845,   1.115,  -5.280)  ( -2.845,   1.115,  -5.280)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( 83.272,  35.908, -40.149)  ( 83.320,  35.955, -40.100)  ( 0.06,  0.13,  0.12)
174:     bond    ( 87.746, -16.745,  66.765)  ( 87.783, -16.709,  66.800)  ( 0.04,  0.21,  0.05)
174:     angle   ( -1.809,  46.196, -96.218)  ( -1.799,  46.206, -96.206)  ( 0.56,  0.02,  0.01)
174:     torsion (  0.427,   6.068,  -7.908)  (  0.427,   6.068,  -7.908)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -3.092,   0.390,  -2.787)  ( -3.091,   0.390,  -2.787)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       ( 89.504, -10.397,  77.576)  ( 89.552, -10.348,  77.622)  ( 0.05,  0.47,  0.06)
174:     bond    (123.465,  45.957,   9.509)  (123.502,  45.993,   9.544)  ( 0.03,  0.08,  0.38)
174:     angle   (-29.372, -47.675,  85.067)  (-29.361, -47.662,  85.076)  ( 0.04,  0.03,  0.01)
174:     torsion ( -2.621,  -5.704, -17.085)  ( -2.620,  -5.703, -17.083)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -1.968,  -2.976,   0.085)  ( -1.968,  -2.976,   0.085)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-16.876, 120.283, -38.120)  (-16.799, 120.339, -38.106)  ( 0.46,  0.05,  0.03)
174:     bond    (-49.888, 112.320, -15.047)  (-49.824, 112.364, -15.045)  ( 0.13,  0.04,  0.02)
174:     angle   ( 29.879,  10.202, -44.047)  ( 29.891,  10.213, -44.044)  ( 0.04,  0.11,  0.01)
174:     torsion (  2.169,   4.373,  21.249)  (  2.169,   4.374,  21.256)  ( 0.01,  0.01,  0.03)
174:     vdw     (  0.964,  -6.612,  -0.274)  (  0.964,  -6.612,  -0.274)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-12.755,  -8.547,  19.128)  (-12.683,  -8.491,  19.140)  ( 0.56,  0.65,  0.07)
174:     bond    (-33.935,  21.618,  -4.334)  (-33.870,  21.663,  -4.332)  ( 0.19,  0.21,  0.04)
174:     angle   ( 18.512, -26.882,  13.525)  ( 18.518, -26.871,  13.527)  ( 0.03,  0.04,  0.01)
174:     torsion ( -1.569,  -1.258,   8.280)  ( -1.569,  -1.258,   8.289)  ( 0.00,  0.02,  0.11)
174:     vdw     (  3.877,  -1.998,   1.768)  (  3.877,  -1.997,   1.768)  ( 0.00,  0.01,  0.00)
174:     electro (  0.360,  -0.027,  -0.111)  (  0.360,  -0.027,  -0.111)  ( 0.00,  0.00,  0.00)
174:  7       ( 16.723, -19.158, -22.610)  ( 16.771, -19.109, -22.565)  ( 0.29,  0.25,  0.20)
174:     bond    (-40.310,  17.683,   2.533)  (-40.275,  17.720,   2.569)  ( 0.09,  0.21,  1.42)
174:     angle   ( 56.487, -28.902, -14.426)  ( 56.499, -28.891, -14.419)  ( 0.02,  0.04,  0.05)
174:     torsion (  0.746,  -4.538, -14.758)  (  0.747,  -4.538, -14.757)  ( 0.02,  0.00,  0.01)
174:     vdw     ( -0.200,  -3.401,   4.042)  ( -0.200,  -3.401,   4.043)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-77.334,  40.329,  40.858)  (-77.286,  40.377,  40.905)  ( 0.06,  0.12,  0.12)
174:     bond    (-39.454,  13.633, -79.926)  (-39.418,  13.669, -79.890)  ( 0.09,  0.26,  0.05)
174:     angle   (-37.693,  29.316, 117.397)  (-37.682,  29.327, 117.407)  ( 0.03,  0.04,  0.01)
174:     torsion ( -2.457,  -0.129,   5.851)  ( -2.457,  -0.129,   5.852)  ( 0.02,  0.01,  0.02)
173:     bond    (-49.033, -17.444,  10.722)  (-49.021, -17.442,  10.722)  ( 0.02,  0.01,  0.01)
173:     angle   (  2.327,  59.493, 107.416)  (  2.327,  59.495, 107.418)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.160,   0.329,  -0.198)  ( -0.160,   0.329,  -0.198)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.559,  -0.627,  -2.586)  (  1.559,  -0.627,  -2.586)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.172,  -0.008,   0.558)  ( -0.172,  -0.008,   0.558)  ( 0.00,  0.00,  0.00)
173: 33       (293.648, -251.208, -276.812)  (293.638, -251.194, -276.821)  ( 0.00,  0.01,  0.00)
173:     bond    ( -6.169, -16.241,   7.214)  ( -6.167, -16.229,   7.216)  ( 0.03,  0.07,  0.03)
173:     angle   (299.894, -238.899, -280.972)  (299.888, -238.896, -280.978)  ( 0.00,  0.00,  0.00)
173:     torsion ( -4.857,  -0.334,  -4.901)  ( -4.862,  -0.334,  -4.905)  ( 0.10,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro (  4.779,   4.265,   1.847)  (  4.779,   4.265,   1.847)  ( 0.00,  0.00,  0.00)
173: ok 30 # gradients 
173: ok 31 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -3.442, -19.470,  -1.727)  ( -3.415, -19.442,  -1.701)  ( 0.78,  0.14,  1.49)
173:     bond    (-12.046,  -1.217,  -1.927)  (-12.027,  -1.199,  -1.908)  ( 0.16,  1.52,  0.97)
173:     angle   (  7.238, -12.120,   0.945)  (  7.246, -12.112,   0.952)  ( 0.11,  0.07,  0.66)
173:     torsion (  0.582,  -6.068,  -1.073)  (  0.582,  -6.068,  -1.073)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.998,   0.178,   0.421)  (  0.998,   0.178,   0.421)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.214,  -0.242,  -0.093)  ( -0.214,  -0.242,  -0.093)  ( 0.00,  0.00,  0.00)
173:  2       (245.840, -11.757,  72.267)  (245.875, -11.718,  72.276)  ( 0.01,  0.33,  0.01)
173:     bond    ( 77.690,  69.207,  45.161)  ( 77.715,  69.238,  45.167)  ( 0.03,  0.04,  0.01)
173:     angle   (172.284, -82.905,  35.928)  (172.294, -82.898,  35.930)  ( 0.01,  0.01,  0.01)
173:     torsion (  2.384,   5.248, -10.001)  (  2.384,   5.248,  -9.999)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.633,  -2.172,  -2.491)  ( -7.633,  -2.172,  -2.491)  ( 0.00,  0.00,  0.00)
173:     electro (  1.115,  -1.134,   3.669)  (  1.115,  -1.134,   3.669)  ( 0.00,  0.00,  0.00)
173:  3       ( -5.078,   4.446,  -6.954)  ( -5.074,   4.459,  -6.952)  ( 0.07,  0.29,  0.03)
173:     bond    (  1.459,   4.293,  -0.351)  (  1.460,   4.305,  -0.351)  ( 0.10,  0.29,  0.00)
173:     angle   ( -2.925,   0.321,  -8.216)  ( -2.923,   0.322,  -8.214)  ( 0.07,  0.01,  0.03)
173:     torsion ( -0.484,   0.301,   1.681)  ( -0.484,   0.301,   1.681)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.960,  -0.223,  -0.119)  ( -3.960,  -0.223,  -0.119)  ( 0.00,  0.00,  0.00)
173:     electro (  0.833,  -0.247,   0.052)  (  0.833,  -0.247,   0.052)  ( 0.00,  0.00,  0.00)
173:  4       (  0.711,   2.002,  -4.913)  (  0.717,   2.008,  -4.907)  ( 0.45,  0.30,  0.13)
173:     bond    (  2.553,  -2.568,  -2.673)  (  2.558,  -2.564,  -2.668)  ( 0.18,  0.18,  0.19)
173:     angle   (  6.931,   6.816,   0.094)  (  6.933,   6.818,   0.096)  ( 0.02,  0.02,  0.01)
173:     torsion (  0.207,   1.182,  -0.937)  (  0.207,   1.182,  -0.937)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.964,  -2.417,  -1.160)  ( -8.963,  -2.417,  -1.160)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.017,  -1.011,  -0.237)  ( -0.017,  -1.011,  -0.237)  ( 0.00,  0.00,  0.00)
173:  5       ( -9.656,  -0.763,   3.225)  ( -9.654,  -0.760,   3.238)  ( 0.03,  0.25,  0.40)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo1_nkh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo2_36k.sdf
173:     bond    (  0.268,  -0.904,   2.749)  (  0.268,  -0.902,   2.762)  ( 0.00,  0.12,  0.46)
173:     angle   ( -8.963,  -2.205,   0.150)  ( -8.960,  -2.203,   0.150)  ( 0.03,  0.08,  0.00)
173:     torsion ( -0.431,   3.040,   1.035)  ( -0.431,   3.040,   1.035)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.944,  -0.045,  -0.815)  ( -0.944,  -0.045,  -0.815)  ( 0.00,  0.00,  0.00)
173:     electro (  0.413,  -0.650,   0.106)  (  0.413,  -0.650,   0.106)  ( 0.00,  0.00,  0.00)
173:  6       (-36.959,  41.759,  10.918)  (-36.945,  41.776,  10.920)  ( 0.04,  0.04,  0.02)
173:     bond    (-35.916,  42.475,   9.669)  (-35.905,  42.491,   9.670)  ( 0.03,  0.04,  0.01)
173:     angle   ( 17.939,  12.987,   9.543)  ( 17.941,  12.988,   9.543)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.378,  -0.725,   1.780)  ( -0.378,  -0.725,   1.781)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.582, -23.931,  -9.878)  (-18.581, -23.931,  -9.877)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.021,  10.953,  -0.197)  ( -0.021,  10.953,  -0.197)  ( 0.00,  0.00,  0.00)
173:  7       (-199.429, 120.899, -77.246)  (-199.398, 120.930, -77.238)  ( 0.02,  0.03,  0.01)
173:     bond    ( 13.550, -89.413, -25.470)  ( 13.572, -89.390, -25.463)  ( 0.16,  0.03,  0.03)
173:     angle   (-210.716, 213.999, -68.344)  (-210.707, 214.006, -68.343)  ( 0.00,  0.00,  0.00)
173:     torsion ( -4.940,  -8.461,  21.084)  ( -4.940,  -8.461,  21.085)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.003,   3.819,   1.416)  (  8.003,   3.819,   1.416)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.327,   0.956,  -5.932)  ( -5.327,   0.956,  -5.932)  ( 0.00,  0.00,  0.00)
173:  8       ( 17.829,  -6.420,  -8.233)  ( 17.839,  -6.411,  -8.232)  ( 0.06,  0.14,  0.02)
173:     bond    ( 11.126, -10.112,  -2.792)  ( 11.135, -10.104,  -2.792)  ( 0.08,  0.07,  0.02)
173:     angle   (  2.321,   2.490,   0.248)  (  2.323,   2.491,   0.248)  ( 0.07,  0.06,  0.02)
173:     torsion (  1.088,   3.350,  -7.788)  (  1.088,   3.350,  -7.788)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.125,  -0.148,  -0.002)  (  0.125,  -0.148,  -0.002)  ( 0.00,  0.00,  0.00)
173:     electro (  3.169,  -2.000,   2.101)  (  3.169,  -2.000,   2.101)  ( 0.00,  0.00,  0.00)
173:  9       (225.116, -321.223, 133.735)  (225.145, -321.196, 133.756)  ( 0.01,  0.01,  0.02)
173:     bond    ( -7.634, -53.638,  -8.757)  ( -7.613, -53.619,  -8.744)  ( 0.28,  0.04,  0.15)
173:     angle   (237.812, -267.792, 150.866)  (237.821, -267.785, 150.875)  ( 0.00,  0.00,  0.01)
173:     torsion ( -4.970,  -6.735, -10.679)  ( -4.970,  -6.735, -10.679)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.986,   8.543,   3.971)  (  1.986,   8.543,   3.971)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.078,  -1.601,  -1.667)  ( -2.078,  -1.601,  -1.667)  ( 0.00,  0.00,  0.00)
173: 10       ( 18.528, 116.935, -222.952)  ( 18.546, 116.955, -222.926)  ( 0.10,  0.02,  0.01)
173:     bond    (  2.883,  25.720,  65.467)  (  2.898,  25.734,  65.488)  ( 0.52,  0.05,  0.03)
173:     angle   (  6.976,  87.919, -281.200)  (  6.979,  87.924, -281.195)  ( 0.04,  0.01,  0.00)
173:     torsion ( -3.682,  -6.591, -12.371)  ( -3.682,  -6.591, -12.372)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.215,  13.749,   3.629)  ( 13.216,  13.749,   3.630)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.864,  -3.861,   1.523)  ( -0.864,  -3.861,   1.523)  ( 0.00,  0.00,  0.00)
173: 11       (-263.679, 218.198,  51.373)  (-263.650, 218.212,  51.399)  ( 0.01,  0.01,  0.05)
173:     bond    (-86.760,  50.952,  24.119)  (-86.735,  50.959,  24.136)  ( 0.03,  0.01,  0.07)
173:     angle   (-183.958, 105.187,  32.275)  (-183.954, 105.194,  32.283)  ( 0.00,  0.01,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo3_u98.sdf
173:     torsion ( 11.442,  45.536, -10.233)  ( 11.442,  45.536, -10.232)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.258,   8.635,   3.973)  ( -4.258,   8.635,   3.973)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.145,   7.888,   1.239)  ( -0.145,   7.888,   1.239)  ( 0.00,  0.00,  0.00)
173: 12       ( 33.659, -29.203, -13.271)  ( 33.660, -29.198, -13.260)  ( 0.00,  0.02,  0.08)
173:     bond    ( -2.965, -10.550, -17.782)  ( -2.964, -10.546, -17.773)  ( 0.01,  0.03,  0.06)
173:     angle   ( 29.381, -16.906,   5.130)  ( 29.382, -16.904,   5.130)  ( 0.00,  0.01,  0.01)
173:     torsion (  2.468,  -2.830,   1.267)  (  2.468,  -2.830,   1.267)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.831,   3.273,  -1.575)  (  6.831,   3.273,  -1.575)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.057,  -2.191,  -0.311)  ( -2.057,  -2.191,  -0.311)  ( 0.00,  0.00,  0.00)
173: 13       ( 34.183, -87.299,  25.278)  ( 34.193, -87.289,  25.282)  ( 0.03,  0.01,  0.02)
173:     bond    ( 19.364, -72.216,  32.658)  ( 19.373, -72.208,  32.660)  ( 0.05,  0.01,  0.01)
173:     angle   ( 19.573, -26.239, -15.673)  ( 19.574, -26.237, -15.671)  ( 0.01,  0.01,  0.01)
173:     torsion ( -2.281,   5.380,  13.128)  ( -2.280,   5.380,  13.128)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.612,   3.838,  -4.037)  ( -2.611,   3.839,  -4.037)  ( 0.01,  0.00,  0.00)
173:     electro (  0.138,   1.937,  -0.798)  (  0.138,   1.937,  -0.798)  ( 0.00,  0.00,  0.00)
173: 14       (-146.962, -31.735,  70.658)  (-146.940, -31.723,  70.705)  ( 0.02,  0.04,  0.07)
173:     bond    ( 62.265,   2.720, -105.238)  ( 62.280,   2.728, -105.200)  ( 0.02,  0.27,  0.04)
173:     angle   (-199.845, -11.711, 169.340)  (-199.837, -11.707, 169.347)  ( 0.00,  0.04,  0.00)
173:     torsion ( -3.423, -15.710,   3.976)  ( -3.423, -15.710,   3.976)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.752,  -0.703,   4.859)  ( -9.752,  -0.703,   4.859)  ( 0.00,  0.00,  0.00)
173:     electro (  3.792,  -6.331,  -2.278)  (  3.792,  -6.331,  -2.278)  ( 0.00,  0.00,  0.00)
173: 15       ( 26.723,  -0.726, -10.858)  ( 26.726,  -0.714, -10.856)  ( 0.01,  0.94,  0.03)
173:     bond    ( -0.092,  -2.399,  -0.719)  ( -0.092,  -2.387,  -0.718)  ( 0.00,  0.53,  0.08)
173:     angle   ( 27.753,   2.469, -11.756)  ( 27.757,   2.469, -11.754)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.584,   0.797,   0.768)  ( -2.584,   0.797,   0.768)  ( 0.00,  0.00,  0.00)
173:     electro (  1.645,  -1.594,   0.848)  (  1.645,  -1.594,   0.848)  ( 0.00,  0.00,  0.00)
173: 16       ( 62.434, -27.811,  26.947)  ( 62.438, -27.810,  26.973)  ( 0.01,  0.01,  0.10)
173:     bond    ( -3.261,  -2.027,  15.582)  ( -3.260,  -2.027,  15.608)  ( 0.03,  0.02,  0.16)
173:     angle   ( 64.819, -38.061,   8.596)  ( 64.821, -38.059,   8.596)  ( 0.00,  0.00,  0.00)
173:     torsion (  5.845,  10.205,   2.546)  (  5.845,  10.205,   2.546)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.040,  -0.891,   3.300)  ( -9.040,  -0.891,   3.300)  ( 0.00,  0.00,  0.00)
173:     electro (  4.070,   2.963,  -3.077)  (  4.070,   2.963,  -3.077)  ( 0.00,  0.00,  0.00)
173: 17       (-111.712, 155.037, -72.705)  (-111.687, 155.062, -72.679)  ( 0.02,  0.02,  0.03)
173:     bond    (-61.202,  38.262, -28.857)  (-61.186,  38.277, -28.840)  ( 0.03,  0.04,  0.06)
173:     angle   (-47.834, 110.585, -38.924)  (-47.825, 110.594, -38.915)  ( 0.02,  0.01,  0.02)
173:     torsion ( -2.088,   4.781,  -3.597)  ( -2.087,   4.781,  -3.597)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.438,   2.373,  -2.058)  ( -0.438,   2.373,  -2.058)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo4_36g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo5_wi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo6_36p.sdf
173:     electro ( -0.150,  -0.964,   0.730)  ( -0.150,  -0.964,   0.730)  ( 0.00,  0.00,  0.00)
173: 18       ( 13.365, -88.460, -15.407)  ( 13.393, -88.432, -15.379)  ( 0.21,  0.03,  0.18)
173:     bond    ( 23.033, -22.454,  19.510)  ( 23.051, -22.435,  19.528)  ( 0.08,  0.08,  0.10)
173:     angle   ( -6.494, -32.659, -49.288)  ( -6.485, -32.649, -49.279)  ( 0.14,  0.03,  0.02)
173:     torsion ( -0.656, -30.683,  14.655)  ( -0.656, -30.683,  14.655)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.375,  -3.297,  -0.779)  (  2.376,  -3.297,  -0.779)  ( 0.01,  0.00,  0.01)
173:     electro ( -4.893,   0.633,   0.495)  ( -4.893,   0.633,   0.495)  ( 0.00,  0.00,  0.00)
173: 19       ( 47.130, -64.556, -23.523)  ( 47.157, -64.529, -23.496)  ( 0.06,  0.04,  0.11)
173:     bond    (  6.702,  -5.903, -10.312)  (  6.720,  -5.885, -10.294)  ( 0.28,  0.31,  0.18)
173:     angle   ( 35.929, -62.760,   8.488)  ( 35.937, -62.752,   8.496)  ( 0.02,  0.01,  0.09)
173:     torsion ( -4.275,  -1.779,  -0.880)  ( -4.275,  -1.779,  -0.880)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.580,   4.470, -19.699)  (  8.580,   4.470, -19.698)  ( 0.00,  0.00,  0.00)
173:     electro (  0.194,   1.417,  -1.119)  (  0.194,   1.417,  -1.119)  ( 0.00,  0.00,  0.00)
173: 20       ( 66.259,   1.063,  44.559)  ( 66.286,   1.090,  44.586)  ( 0.04,  2.51,  0.06)
173:     bond    ( 16.923,  12.912,  10.627)  ( 16.941,  12.930,  10.646)  ( 0.11,  0.14,  0.17)
173:     angle   ( 41.049, -17.605,  36.677)  ( 41.058, -17.597,  36.685)  ( 0.02,  0.04,  0.02)
173:     torsion (  4.433,  -3.963,  -2.662)  (  4.433,  -3.963,  -2.662)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.881,   8.342,   0.937)  (  3.882,   8.343,   0.937)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.028,   1.377,  -1.020)  ( -0.028,   1.377,  -1.020)  ( 0.00,  0.00,  0.00)
173: 21       (161.649, -26.573, 179.307)  (161.666, -26.533, 179.332)  ( 0.01,  0.15,  0.01)
173:     bond    ( 94.358,  10.667, 108.046)  ( 94.370,  10.699, 108.064)  ( 0.01,  0.30,  0.02)
173:     angle   ( 77.084, -26.454,  48.484)  ( 77.089, -26.445,  48.490)  ( 0.01,  0.03,  0.01)
173:     torsion (  4.284,   1.677,  -0.546)  (  4.284,   1.677,  -0.545)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.887, -10.429,  18.556)  ( -9.887, -10.429,  18.557)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.190,  -2.034,   4.766)  ( -4.190,  -2.034,   4.766)  ( 0.00,  0.00,  0.00)
173: 22       ( 16.326,  -2.093, -12.862)  ( 16.329,  -2.087, -12.851)  ( 0.02,  0.27,  0.09)
173:     bond    (  1.374,  -9.398, -16.143)  (  1.374,  -9.395, -16.132)  ( 0.01,  0.04,  0.06)
173:     angle   ( 13.409,   3.381,  -0.828)  ( 13.411,   3.383,  -0.828)  ( 0.02,  0.06,  0.05)
173:     torsion ( -2.701,   3.135,  -2.055)  ( -2.701,   3.135,  -2.056)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.563,   3.317,   4.624)  (  4.564,   3.317,   4.624)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.319,  -2.527,   1.540)  ( -0.319,  -2.527,   1.540)  ( 0.00,  0.00,  0.00)
173: 23       (-128.902, -31.257, -143.473)  (-128.891, -31.236, -143.459)  ( 0.01,  0.07,  0.01)
173:     bond    (-109.862, -24.952, -130.010)  (-109.852, -24.937, -129.998)  ( 0.01,  0.06,  0.01)
173:     angle   (-20.264,   1.010, -19.757)  (-20.263,   1.015, -19.755)  ( 0.00,  0.53,  0.01)
173:     torsion ( -4.483,  -0.658,   3.897)  ( -4.482,  -0.658,   3.897)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.898,  -9.446,   3.735)  (  1.898,  -9.445,   3.735)  ( 0.00,  0.00,  0.00)
173:     electro (  3.808,   2.789,  -1.338)  (  3.808,   2.789,  -1.338)  ( 0.00,  0.00,  0.00)
173: 24       ( -8.341,   2.414,  -5.418)  ( -8.334,   2.421,  -5.413)  ( 0.09,  0.30,  0.08)
173:     bond    ( -6.765,   6.691,  -4.681)  ( -6.759,   6.697,  -4.679)  ( 0.09,  0.08,  0.06)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo7_j2t.sdf
175:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
175:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
175:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
175:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
175:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
175:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
175:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo8_34x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo9_3x3.sdf
173:     angle   ( -5.987,  -8.347,  -3.300)  ( -5.986,  -8.345,  -3.298)  ( 0.02,  0.02,  0.05)
173:     torsion ( -0.111,   0.005,   0.168)  ( -0.111,   0.005,   0.168)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.529,   4.505,   1.876)  (  4.529,   4.505,   1.876)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.007,  -0.441,   0.519)  ( -0.007,  -0.441,   0.519)  ( 0.00,  0.00,  0.00)
173: 25       (-13.180,  -6.027,   0.187)  (-13.174,  -6.021,   0.194)  ( 0.04,  0.10,  0.14)
173:     bond    ( -6.492,  -6.842,   7.764)  ( -6.488,  -6.838,   7.769)  ( 0.06,  0.07,  0.07)
173:     angle   (-10.193,  -2.422, -10.642)  (-10.192,  -2.420, -10.641)  ( 0.01,  0.06,  0.01)
173:     torsion (  0.015,  -0.018,  -0.004)  (  0.015,  -0.018,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.489,   3.271,   2.934)  (  3.489,   3.271,   2.934)  ( 0.00,  0.00,  0.00)
173:     electro (  0.001,  -0.016,   0.136)  (  0.001,  -0.016,   0.136)  ( 0.00,  0.00,  0.00)
173: 26       ( -6.072,  -6.676, -11.912)  ( -6.068,  -6.669, -11.903)  ( 0.07,  0.10,  0.07)
173:     bond    (  4.340,  -7.274,  -8.578)  (  4.342,  -7.268,  -8.571)  ( 0.04,  0.07,  0.08)
173:     angle   (-14.802,  -2.793,  -5.131)  (-14.800,  -2.791,  -5.130)  ( 0.01,  0.05,  0.02)
173:     torsion ( -0.025,   0.231,  -0.209)  ( -0.025,   0.231,  -0.209)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.175,   3.216,   1.878)  (  4.175,   3.216,   1.878)  ( 0.00,  0.00,  0.00)
173:     electro (  0.239,  -0.056,   0.129)  (  0.239,  -0.056,   0.129)  ( 0.00,  0.00,  0.00)
173: 27       ( -7.930,   6.898,   0.377)  ( -7.923,   6.906,   0.381)  ( 0.10,  0.11,  0.16)
173:     bond    ( -7.674,   7.398,  -4.124)  ( -7.668,   7.404,  -4.122)  ( 0.08,  0.08,  0.05)
173:     angle   ( -4.404,   2.474,  12.635)  ( -4.403,   2.475,  12.637)  ( 0.02,  0.05,  0.02)
173:     torsion ( -0.939,  -0.873,   0.177)  ( -0.939,  -0.873,   0.177)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.164,  -1.720,  -8.316)  (  5.164,  -1.720,  -8.316)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.077,  -0.380,   0.004)  ( -0.077,  -0.380,   0.004)  ( 0.00,  0.00,  0.00)
173: 28       ( -1.673,  11.278,   8.469)  ( -1.664,  11.283,   8.474)  ( 0.50,  0.05,  0.06)
173:     bond    (  7.443,   5.640,   5.085)  (  7.450,   5.644,   5.088)  ( 0.09,  0.07,  0.06)
173:     angle   (-12.872,   8.560,   9.347)  (-12.871,   8.561,   9.348)  ( 0.01,  0.02,  0.02)
173:     torsion ( -0.163,   0.947,  -0.812)  ( -0.163,   0.947,  -0.812)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.057,  -3.384,  -5.345)  (  4.057,  -3.384,  -5.345)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.138,  -0.486,   0.195)  ( -0.138,  -0.486,   0.195)  ( 0.00,  0.00,  0.00)
173: 29       (-11.864,   1.706,  10.277)  (-11.860,   1.712,  10.285)  ( 0.04,  0.36,  0.08)
173:     bond    ( -6.333,  -7.421,   8.992)  ( -6.330,  -7.416,   8.999)  ( 0.05,  0.06,  0.07)
173:     angle   ( -7.898,  12.822,   5.013)  ( -7.897,  12.824,   5.014)  ( 0.02,  0.01,  0.02)
173:     torsion (  0.783,  -0.088,   0.479)  (  0.783,  -0.088,   0.479)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.664,  -3.431,  -4.196)  (  1.664,  -3.431,  -4.196)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.080,  -0.176,  -0.010)  ( -0.080,  -0.176,  -0.010)  ( 0.00,  0.00,  0.00)
173: 30       (  7.091,  27.558,   8.407)  (  7.093,  27.573,   8.409)  ( 0.03,  0.05,  0.02)
173:     bond    ( -5.489,  23.059,  -2.986)  ( -5.488,  23.073,  -2.985)  ( 0.02,  0.06,  0.01)
173:     angle   ( 17.936,   7.069,  21.658)  ( 17.937,   7.069,  21.659)  ( 0.01,  0.00,  0.01)
173:     torsion (  3.204,   0.402,  -2.785)  (  3.204,   0.402,  -2.785)  ( 0.01,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bpm_lvj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bqj_xkl.sdf
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -8.559,  -2.971,  -7.481)  ( -8.559,  -2.971,  -7.481)  ( 0.00,  0.00,  0.00)
173: 31       (-22.391,  51.361, -14.964)  (-22.388,  51.382, -14.956)  ( 0.01,  0.04,  0.05)
173:     bond    (  6.860,  28.919,  15.644)  (  6.861,  28.939,  15.650)  ( 0.02,  0.07,  0.04)
173:     angle   (-41.399,  32.772, -42.455)  (-41.398,  32.773, -42.454)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.709,  -0.239,   0.753)  ( -0.709,  -0.239,   0.753)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.115, -10.092,   3.590)  (  3.115, -10.092,   3.590)  ( 0.00,  0.00,  0.00)
173:     electro (  9.743,   0.001,   7.505)  (  9.743,   0.001,   7.505)  ( 0.00,  0.00,  0.00)
173: ok 32 # gradients 
173: ok 33 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  9.939,  -1.844,   0.003)  (  9.975,  -1.828,   0.032)  ( 0.36,  0.87,  0.01)
173:     bond    (  3.343,  -0.578,   0.071)  (  3.368,  -0.569,   0.092)  ( 0.74,  0.55,  0.15)
173:     angle   ( 31.094,  -5.861,  -0.074)  ( 31.105,  -5.859,  -0.069)  ( 0.03,  0.05,  0.04)
173:     torsion (  0.003,   0.006,  -0.008)  (  0.003,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.002,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (-23.368,   4.375,   0.016)  (-23.367,   4.375,   0.016)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.134,   0.212,   0.001)  ( -1.134,   0.212,   0.001)  ( 0.00,  0.00,  0.00)
173:  2       ( 28.160,   0.299,   9.627)  ( 28.197,   0.315,   9.655)  ( 0.13,  0.47,  0.29)
173:     bond    ( 65.349, -12.154,   0.347)  ( 65.377, -12.146,   0.365)  ( 0.04,  0.07,  0.64)
173:     angle   (-20.964,   1.627,  -3.468)  (-20.956,   1.630,  -3.461)  ( 0.04,  0.21,  0.21)
173:     torsion ( -0.099,  -0.520,   0.342)  ( -0.099,  -0.517,   0.343)  ( 0.00,  0.18,  0.05)
173:     oop     ( -0.006,  -0.032,   0.021)  ( -0.006,  -0.031,   0.021)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.566,  12.237,  14.094)  (-14.566,  12.237,  14.095)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.554,  -0.858,  -1.709)  ( -1.554,  -0.858,  -1.709)  ( 0.00,  0.00,  0.00)
173:  3       (-45.505, -25.091, -54.783)  (-45.469, -25.075, -54.756)  ( 0.08,  0.06,  0.05)
173:     bond    (-27.912, -50.685, -84.497)  (-27.885, -50.676, -84.479)  ( 0.10,  0.02,  0.02)
173:     angle   (-31.895,  12.396,  11.675)  (-31.886,  12.399,  11.682)  ( 0.03,  0.03,  0.06)
173:     torsion (  0.506,   2.702,  -1.797)  (  0.507,   2.705,  -1.796)  ( 0.01,  0.12,  0.08)
173:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.729,  10.503,  19.852)  ( 13.730,  10.503,  19.852)  ( 0.00,  0.00,  0.00)
173:     electro (  0.064,  -0.017,  -0.009)  (  0.064,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
173:  4       (-100.866,  18.886,   0.220)  (-100.831,  18.902,   0.248)  ( 0.04,  0.09,  0.62)
173:     bond    (-146.522,  27.515,   0.261)  (-146.497,  27.525,   0.282)  ( 0.02,  0.03,  0.54)
173:     angle   ( 25.917,  -4.877,  -0.055)  ( 25.927,  -4.873,  -0.049)  ( 0.04,  0.08,  0.03)
173:     torsion ( -0.011,  -0.056,   0.029)  ( -0.011,  -0.053,   0.030)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.650,  -3.678,  -0.015)  ( 19.651,  -3.678,  -0.015)  ( 0.00,  0.00,  0.00)
173:     electro (  0.100,  -0.019,  -0.000)  (  0.100,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-33.743,  39.837,  54.381)  (-33.706,  39.853,  54.408)  ( 0.11,  0.04,  0.05)
173:     bond    ( -7.951,  57.195,  84.198)  ( -7.923,  57.203,  84.216)  ( 0.35,  0.01,  0.02)
173:     angle   (-34.355,  -0.042, -11.650)  (-34.346,  -0.038, -11.643)  ( 0.02,  0.02,  0.06)
173:     torsion ( -0.473,  -2.543,   1.684)  ( -0.473,  -2.540,   1.686)  ( 0.01,  0.12,  0.08)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bqp_vmy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bqr_ibh.sdf
173:     oop     ( -0.002,  -0.010,   0.007)  ( -0.002,  -0.010,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.972, -14.754, -19.867)  (  8.972, -14.754, -19.866)  ( 0.00,  0.00,  0.00)
173:     electro (  0.066,  -0.008,   0.009)  (  0.066,  -0.008,   0.009)  ( 0.00,  0.00,  0.00)
173:  6       ( 26.431, -10.762,  -9.864)  ( 26.468, -10.746,  -9.836)  ( 0.14,  0.15,  0.28)
173:     bond    ( 65.571, -12.525,  -0.673)  ( 65.598, -12.516,  -0.654)  ( 0.04,  0.07,  1.25)
173:     angle   (-20.069,   6.056,   3.500)  (-20.061,   6.059,   3.507)  ( 0.04,  0.05,  0.20)
173:     torsion (  0.082,   0.448,  -0.301)  (  0.082,   0.451,  -0.299)  ( 0.00,  0.16,  0.05)
173:     oop     (  0.006,   0.030,  -0.021)  (  0.006,   0.031,  -0.020)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.022,  -6.133, -14.081)  (-18.022,  -6.133, -14.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.136,   1.362,   1.710)  ( -1.136,   1.362,   1.710)  ( 0.00,  0.00,  0.00)
173:  7       ( 43.541,  -7.873,  -0.219)  ( 43.576,  -7.844,  -0.204)  ( 0.08,  0.37,  0.33)
173:     bond    ( 62.966, -11.497,  -0.240)  ( 62.991, -11.476,  -0.232)  ( 0.04,  0.18,  0.18)
173:     angle   ( -8.473,   1.575,   0.022)  ( -8.463,   1.581,   0.026)  ( 0.12,  0.39,  0.01)
173:     torsion ( -0.001,  -0.004,   0.001)  ( -0.001,  -0.003,   0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.001)  ( -0.000,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.662,   2.000,  -0.002)  (-10.661,   2.000,  -0.001)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.290,   0.054,   0.000)  ( -0.290,   0.054,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       (-21.512,   8.533,  -2.211)  (-21.475,   8.561,  -2.197)  ( 0.17,  0.33,  0.64)
173:     bond    (-14.149, -11.677,   8.514)  (-14.120, -11.658,   8.521)  ( 0.20,  0.16,  0.08)
173:     angle   (  3.182, -11.624,   6.552)  (  3.190, -11.617,   6.555)  ( 0.26,  0.06,  0.04)
173:     torsion (  0.078,   0.413,   0.693)  (  0.078,   0.415,   0.697)  ( 0.00,  0.06,  0.28)
173:     oop     ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.303,  31.921, -18.294)  (-10.303,  31.922, -18.294)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.319,  -0.494,   0.334)  ( -0.319,  -0.494,   0.334)  ( 0.00,  0.00,  0.00)
173:  9       ( 48.973,   3.976,  -7.897)  ( 49.009,   4.004,  -7.883)  ( 0.08,  0.71,  0.17)
173:     bond    ( 14.699, -28.406,  15.232)  ( 14.727, -28.387,  15.238)  ( 0.19,  0.07,  0.04)
173:     angle   ( 10.705,   7.865,  -5.884)  ( 10.713,   7.872,  -5.882)  ( 0.07,  0.09,  0.04)
173:     torsion ( -0.002,  -0.014,  -0.025)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 23.330,  24.333, -17.077)  ( 23.331,  24.334, -17.077)  ( 0.00,  0.00,  0.00)
173:     electro (  0.241,   0.197,  -0.145)  (  0.241,   0.197,  -0.145)  ( 0.00,  0.00,  0.00)
173: 10       (-17.572,   3.303,   0.003)  (-17.551,   3.326,   0.014)  ( 0.12,  0.71,  0.00)
173:     bond    (-30.271,   5.697,  -0.018)  (-30.260,   5.718,  -0.010)  ( 0.04,  0.37,  0.01)
173:     angle   ( -9.557,   1.759,   0.022)  ( -9.549,   1.761,   0.022)  ( 0.09,  0.08,  0.00)
173:     torsion (  0.002,   0.010,   0.016)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 24.936,  -4.665,  -0.019)  ( 24.936,  -4.665,  -0.019)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.681,   0.502,   0.002)  ( -2.681,   0.502,   0.002)  ( 0.00,  0.00,  0.00)
173: 11       ( 43.607, -21.492,   7.803)  ( 43.645, -21.465,   7.816)  ( 0.09,  0.13,  0.17)
173:     bond    ( 23.408,  21.070, -15.181)  ( 23.439,  21.088, -15.174)  ( 0.13,  0.08,  0.04)
173:     angle   (  7.071, -11.144,   5.829)  (  7.078, -11.137,   5.832)  ( 0.11,  0.07,  0.04)
173:     torsion ( -0.004,  -0.020,  -0.035)  ( -0.004,  -0.019,  -0.031)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.002,  -0.004)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.978, -31.126,  17.049)  ( 12.978, -31.125,  17.049)  ( 0.00,  0.00,  0.00)
173:     electro (  0.154,  -0.270,   0.145)  (  0.154,  -0.270,   0.145)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bqs_k2q.sdf
173: 12       (-22.333,  -0.735,   2.460)  (-22.296,  -0.706,   2.474)  ( 0.16,  2.08,  0.57)
173:     bond    ( -8.286,  15.559,  -8.353)  ( -8.259,  15.579,  -8.346)  ( 0.33,  0.13,  0.08)
173:     angle   (  7.262,   9.568,  -6.515)  (  7.270,   9.575,  -6.513)  ( 0.12,  0.07,  0.04)
173:     torsion ( -0.075,  -0.398,  -0.671)  ( -0.075,  -0.397,  -0.667)  ( 0.00,  0.06,  0.27)
173:     oop     (  0.001,   0.007,   0.012)  (  0.001,   0.008,   0.013)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.116, -26.047,  18.320)  (-21.116, -26.047,  18.321)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.119,   0.576,  -0.333)  ( -0.119,   0.576,  -0.333)  ( 0.00,  0.00,  0.00)
173: 13       ( -3.438,  -4.662,   3.047)  ( -3.431,  -4.655,   3.051)  ( 0.21,  0.17,  0.14)
173:     bond    ( -3.155,  -3.471,   2.414)  ( -3.150,  -3.464,   2.417)  ( 0.16,  0.18,  0.12)
173:     angle   ( -1.327,   0.924,  -0.402)  ( -1.325,   0.925,  -0.401)  ( 0.16,  0.10,  0.01)
173:     torsion ( -0.010,  -0.054,  -0.092)  ( -0.010,  -0.054,  -0.091)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.656,  -1.568,   0.868)  (  0.656,  -1.568,   0.868)  ( 0.00,  0.00,  0.00)
173:     electro (  0.399,  -0.490,   0.264)  (  0.399,  -0.490,   0.264)  ( 0.00,  0.00,  0.00)
173: 14       ( -1.038,  -6.052,   3.764)  ( -1.032,  -6.042,   3.767)  ( 0.51,  0.16,  0.10)
173:     bond    (  1.964,  -3.904,   2.094)  (  1.966,  -3.895,   2.096)  ( 0.12,  0.24,  0.13)
173:     angle   ( -4.094,  -1.377,   1.278)  ( -4.091,  -1.377,   1.278)  ( 0.07,  0.03,  0.02)
173:     torsion (  0.005,   0.024,   0.041)  (  0.005,   0.025,   0.041)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.289,   0.109,  -0.100)  (  0.289,   0.109,  -0.100)  ( 0.00,  0.00,  0.00)
173:     electro (  0.800,  -0.904,   0.451)  (  0.800,  -0.904,   0.451)  ( 0.00,  0.00,  0.00)
173: 15       ( 39.547,  17.387,  40.717)  ( 39.575,  17.414,  40.744)  ( 0.07,  0.15,  0.07)
173:     bond    ( 13.148,  10.036,  18.899)  ( 13.166,  10.055,  18.918)  ( 0.14,  0.19,  0.10)
173:     angle   ( 18.212,   2.244,  10.544)  ( 18.220,   2.251,  10.551)  ( 0.05,  0.30,  0.07)
173:     torsion ( -0.087,  -0.474,   0.315)  ( -0.087,  -0.473,   0.315)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.697,   5.765,  11.093)  (  7.697,   5.765,  11.094)  ( 0.01,  0.00,  0.00)
173:     electro (  0.577,  -0.184,  -0.134)  (  0.577,  -0.184,  -0.134)  ( 0.00,  0.00,  0.00)
173: 16       (-21.609,   4.057,   0.045)  (-21.594,   4.059,   0.048)  ( 0.07,  0.05,  0.01)
173:     bond    ( -9.567,   1.788,   0.006)  ( -9.552,   1.789,   0.006)  ( 0.15,  0.03,  0.00)
173:     angle   (  0.003,   0.018,   0.026)  (  0.004,   0.019,   0.028)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.001,  -0.005,   0.003)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.832,   1.655,   0.008)  ( -8.832,   1.655,   0.008)  ( 0.00,  0.01,  0.00)
173:     electro ( -3.213,   0.602,   0.002)  ( -3.213,   0.602,   0.002)  ( 0.00,  0.00,  0.00)
173: 17       (-27.099,   9.944,   6.522)  (-27.093,   9.949,   6.531)  ( 0.02,  0.05,  0.14)
173:     bond    ( -2.971,   3.963,   5.094)  ( -2.968,   3.968,   5.102)  ( 0.09,  0.12,  0.15)
173:     angle   (  5.464,   0.715,   2.624)  (  5.467,   0.715,   2.625)  ( 0.05,  0.00,  0.02)
173:     torsion ( -0.047,  -0.247,   0.164)  ( -0.047,  -0.246,   0.164)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.109,   3.803,  -5.190)  (-34.108,   3.803,  -5.190)  ( 0.00,  0.00,  0.00)
173:     electro (  4.561,   1.700,   3.837)  (  4.561,   1.700,   3.837)  ( 0.00,  0.00,  0.00)
173: 18       ( 30.504, -30.620, -40.444)  ( 30.531, -30.594, -40.417)  ( 0.09,  0.09,  0.07)
173:     bond    (  8.498, -14.006, -18.729)  (  8.516, -13.988, -18.710)  ( 0.21,  0.13,  0.10)
173:     angle   ( 16.251,  -8.841, -10.464)  ( 16.259,  -8.834, -10.457)  ( 0.05,  0.08,  0.07)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bqw_qnm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bqy_fnt.sdf
175: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
175:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
175:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
175:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
175:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
175:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
175:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
175:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
175:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
175:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
175:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
175:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
175:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4br3_a4v.sdf
173:     torsion (  0.079,   0.420,  -0.281)  (  0.079,   0.420,  -0.280)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.071,  -8.155, -11.104)  (  5.072,  -8.155, -11.103)  ( 0.01,  0.00,  0.00)
173:     electro (  0.605,  -0.037,   0.133)  (  0.605,  -0.037,   0.133)  ( 0.00,  0.00,  0.00)
173: 19       (-28.792,   0.611,  -6.408)  (-28.783,   0.615,  -6.399)  ( 0.03,  0.21,  0.14)
173:     bond    ( -4.128,  -2.571,  -5.000)  ( -4.122,  -2.569,  -4.992)  ( 0.13,  0.08,  0.16)
173:     angle   (  4.816,  -2.635,  -2.623)  (  4.818,  -2.635,  -2.623)  ( 0.04,  0.02,  0.02)
173:     torsion (  0.046,   0.249,  -0.167)  (  0.046,   0.250,  -0.167)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.011,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (-33.156,   8.814,   5.218)  (-33.155,   8.814,   5.218)  ( 0.00,  0.00,  0.00)
173:     electro (  3.632,  -3.234,  -3.843)  (  3.632,  -3.234,  -3.843)  ( 0.00,  0.00,  0.00)
173: 20       ( -1.417,   5.561,  -3.069)  ( -1.412,   5.572,  -3.065)  ( 0.32,  0.19,  0.14)
173:     bond    ( -1.679,   4.331,  -2.400)  ( -1.677,   4.341,  -2.397)  ( 0.09,  0.23,  0.13)
173:     angle   ( -1.475,  -0.360,   0.378)  ( -1.472,  -0.360,   0.379)  ( 0.21,  0.01,  0.01)
173:     torsion (  0.009,   0.049,   0.083)  (  0.009,   0.050,   0.084)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.178,   1.225,  -0.870)  (  1.178,   1.225,  -0.870)  ( 0.01,  0.00,  0.00)
173:     electro (  0.549,   0.313,  -0.265)  (  0.549,   0.313,  -0.265)  ( 0.00,  0.00,  0.00)
173: 21       (  1.256,   6.103,  -3.821)  (  1.264,   6.110,  -3.817)  ( 0.66,  0.11,  0.10)
173:     bond    (  3.309,   2.985,  -2.153)  (  3.315,   2.991,  -2.151)  ( 0.19,  0.17,  0.12)
173:     angle   ( -3.351,   2.788,  -1.285)  ( -3.350,   2.790,  -1.284)  ( 0.06,  0.05,  0.02)
173:     torsion ( -0.003,  -0.018,  -0.030)  ( -0.003,  -0.017,  -0.029)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.230,  -0.206,   0.099)  (  0.230,  -0.206,   0.099)  ( 0.00,  0.00,  0.00)
173:     electro (  1.072,   0.553,  -0.452)  (  1.072,   0.553,  -0.452)  ( 0.00,  0.00,  0.00)
173: 22       (  4.183,   6.263,  -8.296)  (  4.188,   6.272,  -8.290)  ( 0.12,  0.14,  0.06)
173:     bond    ( -3.539,   5.280,  -3.647)  ( -3.536,   5.287,  -3.644)  ( 0.09,  0.14,  0.10)
173:     angle   (  8.074,  -0.673,  -8.814)  (  8.075,  -0.672,  -8.812)  ( 0.02,  0.08,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.302,   1.409,   4.011)  ( -0.302,   1.409,   4.011)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.049,   0.248,   0.155)  ( -0.049,   0.248,   0.155)  ( 0.00,  0.00,  0.00)
173: 23       (  1.760,  -9.935,   3.608)  (  1.768,  -9.928,   3.612)  ( 0.42,  0.07,  0.11)
173:     bond    ( -4.804,  -4.755,   2.671)  ( -4.798,  -4.749,   2.673)  ( 0.13,  0.13,  0.07)
173:     angle   (  6.694,  -7.578,  -1.445)  (  6.695,  -7.577,  -1.443)  ( 0.02,  0.01,  0.14)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.003,   2.330,   2.074)  ( -0.003,   2.330,   2.074)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.127,   0.067,   0.308)  ( -0.127,   0.067,   0.308)  ( 0.00,  0.00,  0.00)
173: 24       ( 19.965,  -2.748,   0.181)  ( 19.972,  -2.743,   0.189)  ( 0.03,  0.18,  0.14)
173:     bond    (  4.537,  -3.942,  -5.382)  (  4.541,  -3.938,  -5.375)  ( 0.10,  0.09,  0.12)
173:     angle   (-13.992,  -2.615,  -9.907)  (-13.990,  -2.614,  -9.906)  ( 0.01,  0.06,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 30.374,   3.599,  15.457)  ( 30.375,   3.599,  15.457)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4br3_u85.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4brx_kgw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bs0_6nt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bs4_a64.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4btl_5gz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4btl_pe3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4btm_f8e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4btw_jw7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4btx_wf8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bty_jwf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bu7_25f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bu8_27f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bu9_08c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bua_91f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bud_29f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bue_jqf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4buf_f36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bui_w2e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bus_32f.sdf
175:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
175:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
175:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
175:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
175:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
175:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
175:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
175:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
175:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
175:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4but_31f.sdf
173:     electro ( -0.954,   0.210,   0.013)  ( -0.954,   0.210,   0.013)  ( 0.00,  0.00,  0.00)
173: 25       (  1.717,  -7.297,   8.165)  (  1.725,  -7.292,   8.170)  ( 0.48,  0.07,  0.06)
173:     bond    ( -5.109,  -3.600,   3.593)  ( -5.102,  -3.596,   3.596)  ( 0.14,  0.10,  0.10)
173:     angle   (  7.750,  -2.293,   8.703)  (  7.751,  -2.291,   8.705)  ( 0.01,  0.08,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.787,  -1.191,  -3.976)  ( -0.787,  -1.191,  -3.976)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.137,  -0.213,  -0.155)  ( -0.137,  -0.213,  -0.155)  ( 0.00,  0.00,  0.00)
173: 26       ( 19.499,  -4.596,  -0.325)  ( 19.508,  -4.593,  -0.317)  ( 0.05,  0.07,  0.25)
173:     bond    (  5.574,   2.012,   5.268)  (  5.581,   2.013,   5.275)  ( 0.13,  0.05,  0.12)
173:     angle   (-12.096,   7.610,   9.892)  (-12.095,   7.612,   9.894)  ( 0.01,  0.03,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.986, -14.368, -15.473)  ( 26.987, -14.368, -15.473)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.965,   0.151,  -0.012)  ( -0.965,   0.151,  -0.012)  ( 0.00,  0.00,  0.00)
173: 27       (  5.268,   8.549,  -3.580)  (  5.272,   8.559,  -3.576)  ( 0.07,  0.13,  0.11)
173:     bond    ( -2.739,   6.061,  -2.633)  ( -2.737,   6.071,  -2.631)  ( 0.08,  0.17,  0.07)
173:     angle   (  9.010,   4.695,   1.457)  (  9.012,   4.695,   1.459)  ( 0.02,  0.01,  0.14)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.860,  -2.190,  -2.096)  ( -0.860,  -2.190,  -2.096)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.142,  -0.017,  -0.308)  ( -0.142,  -0.017,  -0.308)  ( 0.00,  0.00,  0.00)
173: ok 34 # gradients 
173: ok 35 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (217.209, 187.514, 330.409)  (217.234, 187.528, 330.435)  ( 0.01,  0.01,  0.01)
173:     bond    (211.685, 155.105, 283.667)  (211.703, 155.111, 283.687)  ( 0.01,  0.00,  0.01)
173:     angle   ( -3.964,  51.185,  16.965)  ( -3.958,  51.192,  16.972)  ( 0.14,  0.01,  0.04)
173:     torsion ( -2.356, -23.585,  13.663)  ( -2.356, -23.584,  13.663)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.690,   6.517,  14.239)  (  8.691,   6.517,  14.240)  ( 0.00,  0.00,  0.00)
173:     electro (  3.155,  -1.708,   1.874)  (  3.155,  -1.708,   1.874)  ( 0.00,  0.00,  0.00)
173:  2       (-126.283,  23.279,  78.476)  (-126.255,  23.305,  78.505)  ( 0.02,  0.11,  0.04)
173:     bond    (-83.933,  34.546,  58.541)  (-83.914,  34.565,  58.559)  ( 0.02,  0.05,  0.03)
173:     angle   (-25.194, -15.507,  -5.861)  (-25.186, -15.499,  -5.852)  ( 0.03,  0.05,  0.16)
173:     torsion ( -0.848,   3.185,   0.882)  ( -0.847,   3.186,   0.883)  ( 0.01,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-16.236,   0.628,  23.904)  (-16.236,   0.628,  23.905)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.073,   0.426,   1.009)  ( -0.073,   0.426,   1.009)  ( 0.00,  0.00,  0.00)
173:  3       (-101.376, -91.619,  80.919)  (-101.347, -91.592,  80.946)  ( 0.03,  0.03,  0.03)
173:     bond    (-54.446, -68.193,  60.016)  (-54.428, -68.175,  60.035)  ( 0.03,  0.03,  0.03)
173:     angle   (-20.728, -10.594,   8.671)  (-20.719, -10.586,   8.679)  ( 0.04,  0.08,  0.10)
173:     torsion ( -0.882,  -2.521,  -0.598)  ( -0.882,  -2.520,  -0.598)  ( 0.04,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-25.166, -10.358,  12.532)  (-25.165, -10.358,  12.532)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.270,  -2.491,  -2.463)  (  2.271,  -2.491,  -2.463)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-32.727,  72.726, -92.423)  (-32.676,  72.773, -92.377)  ( 0.15,  0.06,  0.05)
174:     bond    (-70.963,  69.134, -38.807)  (-70.925,  69.169, -38.773)  ( 0.05,  0.05,  0.09)
174:     angle   ( 35.155,  12.704, -44.465)  ( 35.166,  12.715, -44.454)  ( 0.03,  0.09,  0.02)
174:     torsion (  1.189,  -6.727, -14.033)  (  1.189,  -6.727, -14.032)  ( 0.04,  0.01,  0.01)
174:     vdw     (  1.893,  -2.384,   4.882)  (  1.893,  -2.384,   4.882)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       ( 44.464, -48.929,  61.410)  ( 44.508, -48.879,  61.457)  ( 0.10,  0.10,  0.08)
174:     bond    ( 67.926,  38.675,   8.425)  ( 67.960,  38.713,   8.462)  ( 0.05,  0.10,  0.44)
174:     angle   (-27.457, -76.524,  61.567)  (-27.447, -76.512,  61.578)  ( 0.04,  0.02,  0.02)
174:     torsion ( -0.580,  -7.062,  -4.838)  ( -0.580,  -7.062,  -4.838)  ( 0.01,  0.00,  0.00)
174:     vdw     (  4.575,  -4.018,  -3.745)  (  4.575,  -4.018,  -3.744)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       ( 38.280,  17.925,   3.568)  ( 38.330,  17.968,   3.615)  ( 0.13,  0.24,  1.30)
174:     bond    (-69.082, -10.191, -36.229)  (-69.044, -10.157, -36.192)  ( 0.05,  0.33,  0.10)
174:     angle   (107.978,  26.787,  34.426)  (107.991,  26.797,  34.436)  ( 0.01,  0.04,  0.03)
174:     torsion ( -1.672,   4.500,   7.054)  ( -1.673,   4.500,   7.054)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.056,  -3.172,  -1.683)  (  1.056,  -3.172,  -1.683)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-98.542,  74.045,   2.083)  (-98.495,  74.097,   2.128)  ( 0.05,  0.07,  2.18)
174:     bond    (-141.621, 186.409,  73.122)  (-141.586, 186.449,  73.158)  ( 0.02,  0.02,  0.05)
174:     angle   ( 34.325, -116.783, -77.784)  ( 34.337, -116.772, -77.775)  ( 0.03,  0.01,  0.01)
174:     torsion (  5.221,   5.365,   2.771)  (  5.221,   5.366,   2.771)  ( 0.00,  0.01,  0.01)
174:     vdw     (  3.533,  -0.946,   3.974)  (  3.533,  -0.946,   3.974)  ( 0.00,  0.02,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       ( 36.346, -83.238,  61.357)  ( 36.394, -83.190,  61.402)  ( 0.13,  0.06,  0.07)
174:     bond    (147.059, -249.016,  46.400)  (147.096, -248.980,  46.437)  ( 0.03,  0.01,  0.08)
174:     angle   (-110.087, 158.572,  20.299)  (-110.076, 158.583,  20.307)  ( 0.01,  0.01,  0.04)
174:     torsion ( -0.419,   7.923,  -3.565)  ( -0.419,   7.923,  -3.565)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -0.207,  -0.717,  -1.777)  ( -0.207,  -0.717,  -1.777)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (-48.694, -19.654, -22.015)  (-48.645, -19.604, -21.969)  ( 0.10,  0.25,  0.21)
174:     bond    (-177.197, 144.883, -85.836)  (-177.159, 144.920, -85.800)  ( 0.02,  0.03,  0.04)
174:     angle   (124.575, -165.352,  61.932)  (124.586, -165.340,  61.941)  ( 0.01,  0.01,  0.01)
174:     torsion (  3.993,  -1.169,  -0.328)  (  3.993,  -1.169,  -0.328)  ( 0.01,  0.03,  0.02)
174:     vdw     ( -0.065,   1.984,   2.217)  ( -0.065,   1.985,   2.217)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-71.792, -15.511,   1.596)  (-71.745, -15.461,   1.641)  ( 0.07,  0.32,  2.85)
174:     bond    ( 20.082, -185.807,  55.479)  ( 20.118, -185.771,  55.516)  ( 0.18,  0.02,  0.07)
174:     angle   (-91.970, 175.343, -54.362)  (-91.959, 175.356, -54.354)  ( 0.01,  0.01,  0.01)
174:     torsion ( -3.370,   1.693,  -3.891)  ( -3.369,   1.694,  -3.891)  ( 0.01,  0.02,  0.02)
174:     vdw     (  3.466,  -6.740,   4.370)  (  3.466,  -6.740,   4.370)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 51.385, -21.587,  21.356)  ( 51.434, -21.539,  21.402)  ( 0.10,  0.22,  0.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4buu_f38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4buv_16i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4buw_f33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bux_f35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4buy_f37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bv5_5c3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bv7_bv7.sdf
173:     electro ( -0.154,   0.047,   0.298)  ( -0.154,   0.047,   0.298)  ( 0.00,  0.00,  0.00)
173:  4       ( -7.587,  36.159,  -0.492)  ( -7.564,  36.172,  -0.468)  ( 0.31,  0.04,  1.21)
173:     bond    (-11.839,  36.138,  -4.064)  (-11.823,  36.143,  -4.046)  ( 0.14,  0.01,  0.44)
173:     angle   ( 17.681,  -1.428,  19.899)  ( 17.688,  -1.421,  19.905)  ( 0.03,  0.51,  0.03)
173:     torsion ( -0.986,   6.062,   0.679)  ( -0.986,   6.063,   0.679)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.762,  -4.223, -14.758)  (-11.761,  -4.223, -14.758)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.681,  -0.389,  -2.248)  ( -0.681,  -0.389,  -2.248)  ( 0.00,  0.00,  0.00)
173:  5       (113.406, -39.406, -104.121)  (113.433, -39.380, -104.093)  ( 0.02,  0.07,  0.03)
173:     bond    ( 80.632, -35.303, -58.525)  ( 80.651, -35.285, -58.507)  ( 0.02,  0.05,  0.03)
173:     angle   ( 14.870,  -2.308, -19.874)  ( 14.879,  -2.300, -19.865)  ( 0.06,  0.34,  0.05)
173:     torsion (  0.122,  -2.184,  -1.544)  (  0.123,  -2.184,  -1.543)  ( 0.00,  0.02,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 17.613,   0.250, -24.092)  ( 17.613,   0.250, -24.092)  ( 0.00,  0.00,  0.00)
173:     electro (  0.168,   0.139,  -0.086)  (  0.168,   0.139,  -0.086)  ( 0.00,  0.00,  0.00)
173:  6       ( 82.709,  70.383, -104.203)  ( 82.737,  70.410, -104.175)  ( 0.03,  0.04,  0.03)
173:     bond    ( 54.952,  69.597, -60.182)  ( 54.970,  69.616, -60.163)  ( 0.03,  0.03,  0.03)
173:     angle   ( -1.834,  -9.782, -31.818)  ( -1.825,  -9.774, -31.809)  ( 0.50,  0.08,  0.03)
173:     torsion (  2.726,   0.984,  -0.073)  (  2.727,   0.984,  -0.073)  ( 0.01,  0.04,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.430,   8.903, -12.275)  ( 26.431,   8.903, -12.275)  ( 0.00,  0.00,  0.00)
173:     electro (  0.434,   0.681,   0.145)  (  0.434,   0.681,   0.145)  ( 0.00,  0.00,  0.00)
173:  7       (-81.366, -64.293, -112.248)  (-81.339, -64.266, -112.220)  ( 0.03,  0.04,  0.02)
173:     bond    (-49.826, -55.720, -73.216)  (-49.807, -55.701, -73.197)  ( 0.04,  0.03,  0.03)
173:     angle   (-25.623,  -7.932, -31.950)  (-25.615,  -7.925, -31.942)  ( 0.03,  0.10,  0.03)
173:     torsion ( -0.025,   0.016,   0.004)  ( -0.025,   0.016,   0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.002,  -0.680,  -7.188)  ( -6.002,  -0.680,  -7.188)  ( 0.00,  0.00,  0.00)
173:     electro (  0.110,   0.023,   0.102)  (  0.110,   0.023,   0.102)  ( 0.00,  0.00,  0.00)
173:  8       (-84.909, -97.294, -211.537)  (-84.886, -97.258, -211.505)  ( 0.03,  0.04,  0.02)
173:     bond    (-64.569, -159.993, -205.131)  (-64.552, -159.963, -205.104)  ( 0.03,  0.02,  0.01)
173:     angle   (-21.580,   8.756,  34.671)  (-21.575,   8.761,  34.675)  ( 0.02,  0.06,  0.01)
173:     torsion (  0.086,  52.261, -45.427)  (  0.086,  52.262, -45.427)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.392,   1.198,   4.044)  (  1.392,   1.198,   4.044)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.238,   0.483,   0.307)  ( -0.238,   0.483,   0.307)  ( 0.00,  0.00,  0.00)
173:  9       ( 47.135, -20.490, -79.746)  ( 47.138, -20.486, -79.727)  ( 0.01,  0.02,  0.02)
173:     bond    ( 23.650,  25.473, -69.737)  ( 23.653,  25.475, -69.719)  ( 0.01,  0.01,  0.03)
173:     angle   (  7.691, -29.676,  -8.234)  (  7.692, -29.675,  -8.234)  ( 0.01,  0.00,  0.00)
173:     torsion ( 10.115, -17.057,  -2.801)  ( 10.114, -17.057,  -2.801)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.061,   1.628,   4.528)  (  6.061,   1.628,   4.528)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.382,  -0.857,  -3.501)  ( -0.382,  -0.857,  -3.501)  ( 0.00,  0.00,  0.00)
173: 10       ( 22.449, -68.998,   4.633)  ( 22.451, -68.976,   4.636)  ( 0.01,  0.03,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bvc_bv5.sdf
175:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
175:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
175:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
175:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
175:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
175:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
175:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
175:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
175:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
175:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
175:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
175:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
175:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
175:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
175:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
175:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bvd_bu6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bvg_oad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bvh_ocz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bvn_p32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bvx_i3c.sdf
173:     bond    (  7.092, -71.602,  11.127)  (  7.093, -71.580,  11.128)  ( 0.01,  0.03,  0.01)
173:     angle   ( 25.125,  -1.719, -27.071)  ( 25.126,  -1.719, -27.069)  ( 0.01,  0.00,  0.01)
173:     torsion ( -6.304,   2.008,  16.933)  ( -6.304,   2.008,  16.933)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.779,   5.337,   5.446)  ( -3.778,   5.337,   5.446)  ( 0.01,  0.00,  0.00)
173:     electro (  0.314,  -3.023,  -1.802)  (  0.314,  -3.023,  -1.802)  ( 0.00,  0.00,  0.00)
173: 11       (-91.763,  -3.754,  31.627)  (-91.731,  -3.718,  31.634)  ( 0.04,  0.95,  0.02)
173:     bond    (-115.629,  31.876,  11.097)  (-115.607,  31.903,  11.099)  ( 0.02,  0.09,  0.02)
173:     angle   ( 40.424, -23.656,  -4.616)  ( 40.434, -23.649,  -4.615)  ( 0.02,  0.03,  0.02)
173:     torsion ( -3.029, -18.365,  20.747)  ( -3.029, -18.365,  20.751)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.009,   0.135,  -0.575)  (  0.009,   0.135,  -0.575)  ( 0.00,  0.00,  0.01)
173:     vdw     (-16.945,   5.217,   3.707)  (-16.944,   5.217,   3.707)  ( 0.00,  0.00,  0.00)
173:     electro (  3.407,   1.040,   1.267)  (  3.407,   1.040,   1.267)  ( 0.00,  0.00,  0.00)
173: 12       (-16.917,   0.368,  -2.780)  (-16.880,   0.403,  -2.771)  ( 0.22,  1.29,  0.30)
173:     bond    ( -8.035, -13.185,  -3.327)  ( -8.007, -13.159,  -3.325)  ( 0.34,  0.20,  0.05)
173:     angle   (  6.508,  32.172,   7.826)  (  6.518,  32.180,   7.827)  ( 0.14,  0.03,  0.01)
173:     torsion (  0.011,   0.610,  -2.907)  (  0.011,   0.610,  -2.901)  ( 0.00,  0.02,  0.19)
173:     oop     ( -0.005,   0.065,  -0.288)  ( -0.005,   0.066,  -0.287)  ( 0.00,  0.00,  0.02)
173:     vdw     (-15.584, -19.036,  -3.769)  (-15.584, -19.036,  -3.769)  ( 0.00,  0.00,  0.00)
173:     electro (  0.187,  -0.259,  -0.316)  (  0.187,  -0.259,  -0.316)  ( 0.00,  0.00,  0.00)
173: 13       ( 11.270, -95.690, -41.525)  ( 11.309, -95.656, -41.516)  ( 0.34,  0.04,  0.02)
173:     bond    ( 28.466,  16.983,   3.015)  ( 28.496,  17.006,   3.017)  ( 0.11,  0.14,  0.06)
173:     angle   (  3.964, -95.948, -24.764)  (  3.972, -95.938, -24.764)  ( 0.19,  0.01,  0.00)
173:     torsion ( -0.141,   1.849,  -7.029)  ( -0.141,   1.849,  -7.023)  ( 0.00,  0.02,  0.08)
173:     oop     ( -0.018,   0.196,  -0.781)  ( -0.018,   0.196,  -0.780)  ( 0.00,  0.00,  0.06)
173:     vdw     (-21.669, -18.406, -11.846)  (-21.669, -18.406, -11.846)  ( 0.00,  0.00,  0.00)
173:     electro (  0.669,  -0.364,  -0.121)  (  0.669,  -0.364,  -0.121)  ( 0.00,  0.00,  0.00)
173: 14       (-140.188,  98.160,  73.920)  (-140.150,  98.198,  73.928)  ( 0.03,  0.04,  0.01)
173:     bond    (-82.770,  58.919,  18.111)  (-82.743,  58.946,  18.113)  ( 0.03,  0.05,  0.01)
173:     angle   (-60.873,  53.130,  19.549)  (-60.863,  53.140,  19.549)  ( 0.02,  0.02,  0.00)
173:     torsion ( -0.379, -11.956,  45.545)  ( -0.379, -11.955,  45.551)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.007,  -0.075,   0.304)  (  0.007,  -0.075,   0.304)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.636,  -3.098,  -8.519)  (  6.637,  -3.098,  -8.519)  ( 0.01,  0.01,  0.00)
173:     electro ( -2.809,   1.240,  -1.070)  ( -2.809,   1.240,  -1.070)  ( 0.00,  0.00,  0.00)
173: 15       (232.724, 225.345,  56.880)  (232.765, 225.385,  56.890)  ( 0.02,  0.02,  0.02)
173:     bond    (208.431, 186.218,  54.498)  (208.462, 186.248,  54.502)  ( 0.01,  0.02,  0.01)
173:     angle   (  7.144,  16.209,  14.422)  (  7.154,  16.218,  14.423)  ( 0.14,  0.06,  0.01)
173:     torsion (  0.685,   3.522, -15.763)  (  0.685,   3.523, -15.757)  ( 0.01,  0.02,  0.03)
173:     oop     (  0.010,   0.195,  -0.759)  (  0.010,   0.195,  -0.758)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.014,  18.420,   4.425)  ( 19.014,  18.420,   4.425)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.560,   0.781,   0.056)  ( -2.560,   0.781,   0.056)  ( 0.00,  0.00,  0.00)
173: 16       (-27.321,  38.880,  -5.682)  (-27.282,  38.914,  -5.673)  ( 0.14,  0.09,  0.16)
173:     bond    ( 42.454,  -0.705,   1.999)  ( 42.484,  -0.682,   2.001)  ( 0.07,  1.62,  0.10)
173:     angle   (-46.803,  20.940,   4.807)  (-46.795,  20.950,   4.808)  ( 0.02,  0.05,  0.01)
173:     torsion (  0.606,   6.259, -22.040)  (  0.606,   6.259, -22.034)  ( 0.00,  0.01,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bw1_s5b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bw2_uth.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bw3_9bm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bw4_9b6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bwl_mn9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bwm_dct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bwm_doc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bx7_b4f.sdf
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
175:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
175:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
175:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
175:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
175:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
175:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
175:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
175:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
175:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
175:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
175:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 18 # gradients 
175: ok 19 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
173:     oop     ( -0.035,  -0.633,   2.435)  ( -0.035,  -0.633,   2.436)  ( 0.00,  0.00,  0.03)
173:     vdw     (-23.572,  13.279,   7.220)  (-23.571,  13.280,   7.220)  ( 0.00,  0.01,  0.00)
173:     electro (  0.029,  -0.261,  -0.103)  (  0.029,  -0.261,  -0.103)  ( 0.00,  0.00,  0.00)
173: 17       (-34.139,  -6.910,  -2.404)  (-34.120,  -6.891,  -2.401)  ( 0.06,  0.27,  0.15)
173:     bond    (-16.269,  56.492,   4.485)  (-16.253,  56.504,   4.485)  ( 0.10,  0.02,  0.00)
173:     angle   ( -8.391,  -9.142,   8.465)  ( -8.388,  -9.137,   8.467)  ( 0.04,  0.06,  0.02)
173:     torsion ( -0.305,  -1.435,   4.824)  ( -0.305,  -1.435,   4.825)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.781, -48.880, -28.596)  ( -6.781, -48.878, -28.596)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.393,  -3.945,   8.418)  ( -2.393,  -3.945,   8.418)  ( 0.00,  0.00,  0.00)
173: 18       (146.126, -63.992, -117.741)  (146.152, -63.966, -117.715)  ( 0.02,  0.04,  0.02)
173:     bond    ( 60.804, -67.609, -76.802)  ( 60.822, -67.592, -76.783)  ( 0.03,  0.03,  0.02)
173:     angle   ( 50.538,   6.452, -38.791)  ( 50.546,   6.461, -38.783)  ( 0.02,  0.14,  0.02)
173:     torsion (  1.410,  -0.020,  -3.542)  (  1.410,  -0.020,  -3.541)  ( 0.02,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 31.773,  -2.217,   1.567)  ( 31.774,  -2.217,   1.566)  ( 0.00,  0.00,  0.00)
173:     electro (  1.601,  -0.598,  -0.174)  (  1.601,  -0.598,  -0.174)  ( 0.00,  0.00,  0.00)
173: 19       (-12.259, -67.676, 112.616)  (-12.232, -67.650, 112.643)  ( 0.22,  0.04,  0.02)
173:     bond    ( -2.071, -43.907,  76.597)  ( -2.053, -43.888,  76.616)  ( 0.91,  0.04,  0.02)
173:     angle   (-16.897, -16.971,  31.218)  (-16.889, -16.963,  31.226)  ( 0.04,  0.04,  0.03)
173:     torsion ( -1.851,  -0.486,  -0.491)  ( -1.851,  -0.485,  -0.491)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.091,  -6.867,   5.637)  (  9.091,  -6.867,   5.637)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.531,   0.554,  -0.344)  ( -0.531,   0.554,  -0.344)  ( 0.00,  0.00,  0.00)
173: 20       (-413.734, -385.279, -145.698)  (-413.703, -385.240, -145.691)  ( 0.01,  0.01,  0.01)
173:     bond    (-403.589, -414.547, -130.803)  (-403.566, -414.518, -130.800)  ( 0.01,  0.01,  0.00)
173:     angle   ( 12.719,  44.244, -14.018)  ( 12.726,  44.252, -14.017)  ( 0.05,  0.02,  0.01)
173:     torsion ( -3.504,   1.828,   4.666)  ( -3.503,   1.828,   4.670)  ( 0.03,  0.01,  0.08)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.891, -15.051,  -5.706)  (-22.890, -15.050,  -5.706)  ( 0.00,  0.00,  0.00)
173:     electro (  3.530,  -1.753,   0.162)  (  3.530,  -1.753,   0.162)  ( 0.00,  0.00,  0.00)
173: 21       ( 69.031, 439.916,  27.194)  ( 69.050, 439.947,  27.199)  ( 0.03,  0.01,  0.02)
173:     bond    (105.109, 354.969,  20.611)  (105.119, 354.998,  20.612)  ( 0.01,  0.01,  0.01)
173:     angle   (-38.753,  59.524, -20.345)  (-38.746,  59.526, -20.344)  ( 0.02,  0.00,  0.00)
173:     torsion (-12.418,   1.804,  34.038)  (-12.418,   1.804,  34.040)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.702,  24.237,  -7.723)  ( 19.703,  24.238,  -7.723)  ( 0.01,  0.00,  0.00)
173:     electro ( -4.609,  -0.619,   0.613)  ( -4.609,  -0.619,   0.613)  ( 0.00,  0.00,  0.00)
173: 22       (-319.638, -256.278, -99.435)  (-319.607, -256.241, -99.429)  ( 0.01,  0.01,  0.01)
173:     bond    (-309.224, -196.267, -103.821)  (-309.200, -196.240, -103.818)  ( 0.01,  0.01,  0.00)
173:     angle   (  0.878, -118.814,  10.313)  (  0.885, -118.806,  10.312)  ( 0.62,  0.01,  0.01)
173:     torsion (  0.525,  -0.158,  -1.178)  (  0.526,  -0.158,  -1.175)  ( 0.02,  0.00,  0.22)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.918,  62.748,  -5.117)  (-12.918,  62.750,  -5.117)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bxk_1iu.sdf
175:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
175:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
175:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
175:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
175:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
175:  2       (-60.262, -26.974,  -2.058)  (-60.252, -26.966,  -1.947)  ( 0.02,  0.03,  5.40)
175:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
175:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
175:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
175:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
175:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
175:  3       ( 23.930, -14.242,   1.480)  ( 23.937, -14.234,   1.356)  ( 0.03,  0.06,  8.43)
175:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
175:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
175:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
175:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
175:  4       (  0.145,  -4.796,  -0.990)  (  0.155,  -4.783,  -0.870)  ( 0.15,  0.26, 11.92)
175:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
175:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
175:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
175:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
175:  5       ( 32.855,  54.085,  -1.765)  ( 32.859,  54.093,  -1.793)  ( 0.01,  0.01,  1.56)
175:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
175:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
175:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
175:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.168,   8.955,   0.093)  ( -0.160,   8.963,  -0.035)  ( 0.14,  0.09,  1.18)
175:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
175:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
175:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4by0_5ps.sdf
174:     bond    (-19.694, 121.030, -58.118)  (-19.656, 121.065, -58.081)  ( 0.19,  0.03,  0.06)
174:     angle   ( 69.837, -141.903,  61.310)  ( 69.849, -141.891,  61.318)  ( 0.02,  0.01,  0.01)
174:     torsion (  2.559,  -0.466,  18.458)  (  2.560,  -0.466,  18.459)  ( 0.00,  0.02,  0.00)
174:     vdw     ( -1.318,  -0.247,  -0.294)  ( -1.318,  -0.247,  -0.294)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (-10.253, -102.133, -51.010)  (-10.207, -102.084, -50.966)  ( 0.45,  0.05,  0.09)
174:     bond    (-28.447, -159.003,  29.684)  (-28.413, -158.965,  29.719)  ( 0.12,  0.02,  0.12)
174:     angle   ( 12.943,  52.128, -74.991)  ( 12.954,  52.138, -74.982)  ( 0.09,  0.02,  0.01)
174:     torsion (  3.356,   4.210,  -5.951)  (  3.357,   4.210,  -5.951)  ( 0.01,  0.01,  0.01)
174:     vdw     (  1.895,   0.533,   0.247)  (  1.895,   0.533,   0.247)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-54.928, 102.095,  29.273)  (-54.879, 102.144,  29.321)  ( 0.09,  0.05,  0.16)
174:     bond    ( 11.301,  32.987,  -2.137)  ( 11.337,  33.023,  -2.101)  ( 0.32,  0.11,  1.69)
174:     angle   (-69.740,  63.731,  23.901)  (-69.728,  63.743,  23.912)  ( 0.02,  0.02,  0.05)
174:     torsion (  5.988,   1.482,   9.002)  (  5.988,   1.482,   9.002)  ( 0.00,  0.01,  0.01)
174:     vdw     ( -2.477,   3.896,  -1.492)  ( -2.477,   3.896,  -1.492)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 69.073,  20.711,  31.491)  ( 69.123,  20.760,  31.539)  ( 0.07,  0.24,  0.15)
174:     bond    (-21.798,  14.016,  -5.128)  (-21.761,  14.052,  -5.092)  ( 0.17,  0.26,  0.70)
174:     angle   ( 80.219,   8.337,  47.063)  ( 80.232,   8.349,  47.075)  ( 0.02,  0.15,  0.02)
174:     torsion (  3.727,  -2.310,  -8.511)  (  3.727,  -2.310,  -8.511)  ( 0.00,  0.02,  0.00)
174:     vdw     (  6.925,   0.668,  -1.933)  (  6.925,   0.668,  -1.933)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       ( -7.171,  23.454, -62.548)  ( -7.123,  23.503, -62.499)  ( 0.67,  0.21,  0.08)
174:     bond    ( 23.122, -25.258,  29.921)  ( 23.158, -25.222,  29.958)  ( 0.16,  0.14,  0.12)
174:     angle   (-11.516,  45.007, -87.338)  (-11.504,  45.019, -87.325)  ( 0.10,  0.03,  0.01)
174:     torsion ( -9.097,  -1.641,   0.497)  ( -9.097,  -1.640,   0.497)  ( 0.00,  0.02,  0.00)
174:     vdw     ( -9.681,   5.346,  -5.628)  ( -9.680,   5.346,  -5.628)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (144.865, -30.438, -24.155)  (144.917, -30.393, -24.106)  ( 0.04,  0.15,  0.20)
174:     bond    (239.288,   1.092, -29.295)  (239.327,   1.126, -29.259)  ( 0.02,  3.11,  0.12)
174:     angle   (-88.078, -27.976,   1.591)  (-88.067, -27.965,   1.604)  ( 0.01,  0.04,  0.78)
174:     torsion ( -7.170,  -3.843,   5.011)  ( -7.169,  -3.842,   5.012)  ( 0.01,  0.02,  0.01)
174:     vdw     (  0.825,   0.289,  -1.463)  (  0.825,   0.289,  -1.463)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-20.334,   2.956,  65.639)  (-20.286,   3.004,  65.690)  ( 0.24,  1.64,  0.08)
174:     bond    ( 19.005, -37.785, -74.502)  ( 19.040, -37.749, -74.464)  ( 0.19,  0.10,  0.05)
174:     angle   (-42.069,  41.502, 132.387)  (-42.057,  41.514, 132.400)  ( 0.03,  0.03,  0.01)
174:     torsion (  2.721,  -5.226,   2.966)  (  2.721,  -5.225,   2.966)  ( 0.02,  0.01,  0.00)
174:     vdw     (  0.010,   4.465,   4.787)  (  0.010,   4.465,   4.787)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (-11.747,  14.520, -78.438)  (-11.700,  14.568, -78.390)  ( 0.40,  0.33,  0.06)
174:     bond    (-71.103, -56.281,  36.238)  (-71.066, -56.245,  36.274)  ( 0.05,  0.06,  0.10)
174:     angle   ( 64.964,  52.726, -106.755)  ( 64.974,  52.736, -106.743)  ( 0.02,  0.02,  0.01)
175:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
175:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
175:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
175:  7       ( -6.398,  -0.930,  -0.886)  ( -6.384,  -0.921,  -0.765)  ( 0.22,  0.80, 10.80)
175:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
175:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
175:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
175:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
175:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
175:  8       (-50.729,  -2.197,  -0.507)  (-50.718,  -2.195,  -0.575)  ( 0.02,  0.05,  3.43)
175:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
175:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
175:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
175:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
175:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
175:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
175:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
175:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
175:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
175:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
175: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
175:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
175:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
175:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
175: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
175:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
175:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
175:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
175:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
175:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
175: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4byi_fh3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4byj_fh5.sdf
175:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
175:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
175:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
175:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
175:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
175: 13       (-13.757,  -4.403,   1.127)  (-13.752,  -4.397,   1.147)  ( 0.04,  0.15,  1.78)
175:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
175:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
175:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
175:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
175:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
175: 14       (  9.355, -11.349,   3.836)  (  9.361, -11.344,   3.856)  ( 0.06,  0.05,  0.53)
175:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
175:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
175:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
175:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
175:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
175:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
175:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
175:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
175:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
175: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
175:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
175:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
175:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
175:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro (  1.100,  -3.786,   0.369)  (  1.100,  -3.786,   0.369)  ( 0.00,  0.00,  0.00)
173: 23       ( 60.304,  68.497,  13.003)  ( 60.331,  68.534,  13.011)  ( 0.05,  0.05,  0.06)
173:     bond    (141.796, -93.271,  59.722)  (141.815, -93.242,  59.724)  ( 0.01,  0.03,  0.00)
173:     angle   (-104.386, 137.818, -48.662)  (-104.379, 137.825, -48.660)  ( 0.01,  0.01,  0.00)
173:     torsion (  1.522,  -0.256,  -4.043)  (  1.522,  -0.256,  -4.039)  ( 0.03,  0.00,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 20.305,  23.042,   6.134)  ( 20.305,  23.042,   6.134)  ( 0.00,  0.00,  0.00)
173:     electro (  1.068,   1.164,  -0.149)  (  1.068,   1.164,  -0.149)  ( 0.00,  0.00,  0.00)
173: 24       (-67.290,  -9.475, -27.056)  (-67.249,  -9.439, -27.047)  ( 0.06,  0.38,  0.04)
173:     bond    (-30.633, -25.999, -10.170)  (-30.600, -25.974, -10.164)  ( 0.11,  0.10,  0.06)
173:     angle   (-40.862,  34.218, -18.476)  (-40.855,  34.229, -18.475)  ( 0.02,  0.03,  0.01)
173:     torsion ( -0.394,   0.036,   1.094)  ( -0.393,   0.036,   1.097)  ( 0.02,  0.00,  0.30)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.081, -11.814,   5.483)  ( 13.082, -11.814,   5.483)  ( 0.00,  0.00,  0.00)
173:     electro ( -8.482,  -5.916,  -4.988)  ( -8.482,  -5.916,  -4.988)  ( 0.00,  0.00,  0.00)
173: 25       (301.981, -105.140, 116.200)  (302.013, -105.103, 116.207)  ( 0.01,  0.04,  0.01)
173:     bond    (247.377,  -1.415,  95.326)  (247.401,  -1.391,  95.329)  ( 0.01,  1.69,  0.00)
173:     angle   (  9.935, -102.399,  11.221)  (  9.941, -102.388,  11.222)  ( 0.07,  0.01,  0.01)
173:     torsion ( 13.540,  -2.349, -35.450)  ( 13.541,  -2.349, -35.447)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 30.680, -16.006,  36.690)  ( 30.680, -16.003,  36.690)  ( 0.00,  0.02,  0.00)
173:     electro (  0.449,  17.028,   8.413)  (  0.449,  17.028,   8.413)  ( 0.00,  0.00,  0.00)
173: 26       (-48.127, -45.901, -29.735)  (-48.099, -45.868, -29.729)  ( 0.06,  0.07,  0.02)
173:     bond    (-163.266,   6.242, -62.884)  (-163.245,   6.266, -62.882)  ( 0.01,  0.38,  0.00)
173:     angle   (113.983, -50.151,  14.930)  (113.990, -50.142,  14.932)  ( 0.01,  0.02,  0.01)
173:     torsion ( -0.811,  -0.077,   1.712)  ( -0.811,  -0.077,   1.714)  ( 0.02,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.135,  -1.084,  16.039)  (  2.135,  -1.084,  16.039)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.168,  -0.831,   0.468)  ( -0.168,  -0.831,   0.468)  ( 0.00,  0.00,  0.00)
173: 27       (215.505, 204.878,  65.902)  (215.528, 204.903,  65.906)  ( 0.01,  0.01,  0.01)
173:     bond    (178.269,  51.348,  64.154)  (178.290,  51.364,  64.157)  ( 0.01,  0.03,  0.00)
173:     angle   ( 32.662, 155.314,   0.163)  ( 32.664, 155.322,   0.163)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.325,  -0.050,  -0.859)  (  0.325,  -0.050,  -0.857)  ( 0.01,  0.00,  0.12)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.602,  -4.752,   2.472)  (  3.602,  -4.752,   2.472)  ( 0.01,  0.00,  0.00)
173:     electro (  0.647,   3.018,  -0.028)  (  0.647,   3.018,  -0.028)  ( 0.00,  0.00,  0.00)
173: 28       ( 79.090, -164.187,  43.019)  ( 79.122, -164.151,  43.028)  ( 0.04,  0.02,  0.02)
173:     bond    ( 29.223,  52.556,   7.122)  ( 29.247,  52.583,   7.125)  ( 0.08,  0.05,  0.05)
173:     angle   ( 52.488, -224.762,  35.854)  ( 52.495, -224.753,  35.856)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.555,   0.089,   1.476)  ( -0.554,   0.089,   1.479)  ( 0.02,  0.00,  0.19)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.194,   1.911,  -1.050)  ( -1.194,   1.911,  -1.050)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.872,   6.019,  -0.383)  ( -0.872,   6.019,  -0.383)  ( 0.00,  0.00,  0.00)
173: 29       (-19.992,  10.306,  -8.017)  (-19.972,  10.313,  -8.013)  ( 0.10,  0.07,  0.05)
173:     bond    (-23.634,   9.974,  -9.891)  (-23.614,   9.978,  -9.888)  ( 0.08,  0.04,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bzd_d6i.sdf
175:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
175:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
175:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
175:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
175:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
175:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
175:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
175:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
175:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
175:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
175:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
175:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bzn_ugx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bzo_676.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bzs_9x6.sdf
173:     angle   (  4.940,  12.856,   1.179)  (  4.940,  12.859,   1.179)  ( 0.01,  0.03,  0.00)
173:     torsion (  0.275,  -0.037,  -0.696)  (  0.275,  -0.037,  -0.695)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.348, -10.851,  -0.672)  ( -3.348, -10.850,  -0.672)  ( 0.00,  0.00,  0.00)
173:     electro (  1.774,  -1.636,   2.064)  (  1.774,  -1.636,   2.064)  ( 0.00,  0.00,  0.00)
173: 30       ( 28.568, 118.247,   2.614)  ( 28.595, 118.276,   2.641)  ( 0.10,  0.02,  1.02)
173:     bond    ( 26.025,   1.138,   9.660)  ( 26.044,   1.157,   9.680)  ( 0.07,  1.67,  0.20)
173:     angle   ( -2.031, 105.588,  -8.649)  ( -2.023, 105.597,  -8.642)  ( 0.39,  0.01,  0.08)
173:     torsion ( -0.265,   0.055,   0.711)  ( -0.265,   0.055,   0.711)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.833,  12.485,   0.837)  (  4.833,  12.485,   0.837)  ( 0.00,  0.00,  0.00)
173:     electro (  0.006,  -1.018,   0.054)  (  0.006,  -1.018,   0.054)  ( 0.00,  0.00,  0.00)
173: 31       (-118.008, -29.322,  76.846)  (-117.980, -29.294,  76.872)  ( 0.02,  0.09,  0.03)
173:     bond    (-60.072,  25.033,  41.153)  (-60.053,  25.052,  41.171)  ( 0.03,  0.07,  0.04)
173:     angle   (-57.334, -58.998,  31.573)  (-57.325, -58.989,  31.580)  ( 0.01,  0.01,  0.02)
173:     torsion ( -0.243,   0.254,   1.067)  ( -0.243,   0.254,   1.068)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.358,   4.364,   3.091)  ( -0.358,   4.364,   3.091)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.002,   0.024,  -0.038)  ( -0.002,   0.024,  -0.038)  ( 0.00,  0.00,  0.00)
173: 32       ( 21.941,  96.497, -38.091)  ( 21.968,  96.524, -38.065)  ( 0.12,  0.03,  0.07)
173:     bond    (  6.399,  78.046, -23.251)  (  6.418,  78.064, -23.233)  ( 0.29,  0.02,  0.08)
173:     angle   ( 17.859,  16.298, -11.339)  ( 17.867,  16.307, -11.331)  ( 0.04,  0.05,  0.07)
173:     torsion (  0.103,   1.410,  -0.517)  (  0.103,   1.410,  -0.517)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.984,   0.260,  -2.257)  ( -1.984,   0.260,  -2.257)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.436,   0.483,  -0.726)  ( -0.436,   0.483,  -0.726)  ( 0.00,  0.00,  0.00)
173: 33       ( -0.203, -82.320, -65.334)  ( -0.177, -82.294, -65.307)  ( 0.54,  0.03,  0.04)
173:     bond    (  0.483, -51.986, -43.271)  (  0.502, -51.967, -43.253)  ( 0.92,  0.04,  0.04)
173:     angle   (  0.825, -30.598, -10.208)  (  0.833, -30.590, -10.201)  ( 0.59,  0.03,  0.07)
173:     torsion (  0.419,  -0.019,   0.041)  (  0.420,  -0.019,   0.041)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.518,   0.166, -11.482)  ( -1.518,   0.166, -11.481)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.414,   0.116,  -0.413)  ( -0.414,   0.116,  -0.413)  ( 0.00,  0.00,  0.00)
173: 34       ( 28.189, -56.951,  -1.521)  ( 28.193, -56.938,  -1.518)  ( 0.02,  0.02,  0.17)
173:     bond    ( 22.740, -62.102,   3.059)  ( 22.742, -62.090,   3.059)  ( 0.01,  0.02,  0.01)
173:     angle   (  8.629,   2.796,  -7.421)  (  8.631,   2.796,  -7.419)  ( 0.03,  0.01,  0.03)
173:     torsion (  0.979,   0.305,  -1.082)  (  0.979,   0.305,  -1.082)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.351,   1.650,   3.098)  ( -4.351,   1.650,   3.098)  ( 0.00,  0.00,  0.00)
173:     electro (  0.192,   0.402,   0.825)  (  0.192,   0.402,   0.825)  ( 0.00,  0.00,  0.00)
173: 35       ( 23.961,  22.658, -58.454)  ( 23.965,  22.662, -58.442)  ( 0.01,  0.02,  0.02)
173:     bond    ( 15.695,  24.384, -60.652)  ( 15.696,  24.386, -60.640)  ( 0.01,  0.01,  0.02)
173:     angle   ( 12.639,  -1.024,   2.860)  ( 12.642,  -1.022,   2.861)  ( 0.02,  0.18,  0.02)
173:     torsion ( -0.438,   0.017,  -0.107)  ( -0.438,   0.017,  -0.107)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c0c_wvh.sdf
175:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
175:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
175:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
175:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 20 # gradients 
175: ok 21 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c0w_12p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c14_fd5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c1g_mco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c1i_eh9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c1m_nih.sdf
173:     vdw     ( -4.537,  -1.666,  -1.662)  ( -4.537,  -1.666,  -1.662)  ( 0.00,  0.00,  0.00)
173:     electro (  0.603,   0.947,   1.106)  (  0.603,   0.947,   1.106)  ( 0.00,  0.00,  0.00)
173: 36       ( 63.903,   1.291,  -9.759)  ( 63.917,   1.294,  -9.756)  ( 0.02,  0.20,  0.03)
173:     bond    ( 65.790,  -3.836,  -9.623)  ( 65.804,  -3.836,  -9.622)  ( 0.02,  0.01,  0.01)
173:     angle   ( -0.500,   5.235,  -5.508)  ( -0.500,   5.237,  -5.506)  ( 0.00,  0.04,  0.04)
173:     torsion ( -0.009,  -0.753,   0.237)  ( -0.009,  -0.753,   0.237)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.878,   0.527,   4.101)  ( -0.878,   0.527,   4.101)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.499,   0.119,   1.034)  ( -0.499,   0.119,   1.034)  ( 0.00,  0.00,  0.00)
173: 37       ( -9.271,  60.648,  -9.108)  ( -9.268,  60.661,  -9.105)  ( 0.04,  0.02,  0.03)
173:     bond    (-17.431,  62.884,  -7.653)  (-17.430,  62.897,  -7.652)  ( 0.01,  0.02,  0.01)
173:     angle   (  8.734,   1.467,  -7.843)  (  8.736,   1.467,  -7.841)  ( 0.02,  0.01,  0.03)
173:     torsion (  1.973,   0.481,  -0.542)  (  1.973,   0.481,  -0.542)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.279,  -4.010,   5.533)  ( -2.279,  -4.010,   5.533)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.268,  -0.174,   1.397)  ( -0.268,  -0.174,   1.397)  ( 0.00,  0.00,  0.00)
173: 38       (-16.458, -18.347,  59.777)  (-16.455, -18.343,  59.789)  ( 0.02,  0.02,  0.02)
173:     bond    (-14.915, -23.631,  60.460)  (-14.914, -23.629,  60.472)  ( 0.01,  0.01,  0.02)
173:     angle   ( -6.543,   3.669,  -0.179)  ( -6.540,   3.671,  -0.179)  ( 0.04,  0.05,  0.01)
173:     torsion (  0.344,  -0.544,  -0.128)  (  0.344,  -0.544,  -0.128)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.903,   1.685,  -0.006)  (  3.903,   1.685,  -0.006)  ( 0.00,  0.00,  0.00)
173:     electro (  0.753,   0.475,  -0.371)  (  0.753,   0.475,  -0.371)  ( 0.00,  0.00,  0.00)
173: 39       (-25.095,  56.685,   3.665)  (-25.091,  56.698,   3.668)  ( 0.02,  0.02,  0.07)
173:     bond    (-22.755,  61.554,  -3.326)  (-22.753,  61.566,  -3.326)  ( 0.01,  0.02,  0.01)
173:     angle   ( -9.216,  -3.000,   7.499)  ( -9.213,  -3.000,   7.501)  ( 0.02,  0.01,  0.03)
173:     torsion ( -0.769,  -0.189,   1.757)  ( -0.769,  -0.189,   1.757)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.660,  -1.802,  -2.186)  (  6.660,  -1.802,  -2.186)  ( 0.00,  0.00,  0.00)
173:     electro (  0.985,   0.123,  -0.078)  (  0.985,   0.123,  -0.078)  ( 0.00,  0.00,  0.00)
173: 40       (-65.919,  -0.873,  16.880)  (-65.906,  -0.870,  16.884)  ( 0.02,  0.22,  0.02)
173:     bond    (-66.810,   3.375,  10.478)  (-66.796,   3.376,  10.478)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.413,  -5.003,  10.616)  (  1.413,  -5.001,  10.618)  ( 0.01,  0.04,  0.02)
173:     torsion ( -0.080,  -0.246,  -0.431)  ( -0.080,  -0.246,  -0.431)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.119,  -0.016,  -3.644)  ( -0.119,  -0.016,  -3.644)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.323,   1.018,  -0.138)  ( -0.323,   1.018,  -0.138)  ( 0.00,  0.00,  0.00)
173: 41       ( 12.030, -60.568,  14.896)  ( 12.034, -60.555,  14.899)  ( 0.03,  0.02,  0.02)
173:     bond    ( 18.258, -63.191,   7.895)  ( 18.259, -63.178,   7.896)  ( 0.01,  0.02,  0.01)
173:     angle   ( -7.961,  -0.960,  10.725)  ( -7.959,  -0.960,  10.727)  ( 0.02,  0.02,  0.02)
173:     torsion ( -0.871,  -0.147,   0.836)  ( -0.871,  -0.147,   0.836)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.556,   3.027,  -5.023)  (  2.556,   3.028,  -5.023)  ( 0.00,  0.00,  0.00)
173:     electro (  0.049,   0.702,   0.463)  (  0.049,   0.702,   0.463)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c21_foc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c22_cvu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c27_26n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c28_tw5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c2p_x8z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c2v_yja.sdf
175:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
175:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
175:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
175:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
175:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
175:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
175:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
175:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
175:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
175:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
175:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
175:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
175:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
175:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
175:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
175:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
175:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
175:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
175:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
175:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
175:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
175:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
175:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
175:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
175:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
175:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
175:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
175:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
175:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
173: 42       ( -9.460,  56.170,   5.244)  ( -9.457,  56.183,   5.247)  ( 0.04,  0.02,  0.05)
173:     bond    (-16.292,  56.900,  -2.500)  (-16.291,  56.913,  -2.500)  ( 0.01,  0.02,  0.01)
173:     angle   (  9.866,   3.363,  12.263)  (  9.868,   3.363,  12.266)  ( 0.02,  0.00,  0.02)
173:     torsion ( -0.024,  -0.006,   0.020)  ( -0.023,  -0.006,   0.020)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.417,  -3.477,  -3.780)  ( -2.417,  -3.477,  -3.780)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.594,  -0.611,  -0.759)  ( -0.594,  -0.611,  -0.759)  ( 0.00,  0.00,  0.00)
173: 43       ( 58.073,  -1.976,   2.889)  ( 58.087,  -1.973,   2.891)  ( 0.02,  0.13,  0.10)
173:     bond    ( 58.666,  -3.179,  -7.229)  ( 58.680,  -3.178,  -7.228)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.855,   1.963,  14.192)  (  1.855,   1.965,  14.195)  ( 0.00,  0.11,  0.02)
173:     torsion (  0.010,  -0.247,   0.188)  (  0.010,  -0.247,   0.188)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.755,  -0.423,  -3.552)  ( -1.755,  -0.423,  -3.552)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.703,  -0.090,  -0.712)  ( -0.703,  -0.090,  -0.712)  ( 0.00,  0.00,  0.00)
173: 44       ( -2.553, -17.136,  55.620)  ( -2.550, -17.132,  55.633)  ( 0.12,  0.02,  0.02)
173:     bond    (-11.943, -20.711,  54.183)  (-11.942, -20.709,  54.195)  ( 0.01,  0.01,  0.02)
173:     angle   ( 12.833,   4.621,   4.594)  ( 12.835,   4.623,   4.595)  ( 0.02,  0.04,  0.01)
173:     torsion (  0.297,  -0.227,  -0.021)  (  0.297,  -0.227,  -0.021)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.070,  -0.743,  -2.352)  ( -3.070,  -0.743,  -2.352)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.671,  -0.076,  -0.784)  ( -0.671,  -0.076,  -0.784)  ( 0.00,  0.00,  0.00)
173: 45       ( 27.102,  34.168,   8.332)  ( 27.110,  34.177,   8.334)  ( 0.03,  0.03,  0.02)
173:     bond    ( 31.075,  30.987,   6.962)  ( 31.082,  30.994,   6.962)  ( 0.02,  0.02,  0.01)
173:     angle   ( -4.082,   3.876,   0.958)  ( -4.081,   3.877,   0.958)  ( 0.04,  0.04,  0.01)
173:     torsion ( -0.015,   0.166,  -0.674)  ( -0.015,   0.166,  -0.673)  ( 0.00,  0.00,  0.09)
173:     oop     (  0.003,  -0.054,   0.224)  (  0.003,  -0.054,   0.224)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.670,  -2.499,   0.018)  (  1.670,  -2.499,   0.018)  ( 0.01,  0.00,  0.00)
173:     electro ( -1.550,   1.693,   0.844)  ( -1.550,   1.693,   0.844)  ( 0.00,  0.00,  0.00)
173: 46       (  1.997,  42.527,  11.125)  (  2.002,  42.540,  11.127)  ( 0.24,  0.03,  0.02)
173:     bond    ( -7.218,  36.059,   9.415)  ( -7.217,  36.072,   9.416)  ( 0.01,  0.04,  0.01)
173:     angle   ( 33.747,   6.444,   1.182)  ( 33.751,   6.444,   1.182)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.021,  -0.670,   2.582)  (  0.021,  -0.670,   2.583)  ( 0.00,  0.01,  0.05)
173:     oop     (  0.010,  -0.092,   0.361)  (  0.010,  -0.092,   0.361)  ( 0.00,  0.00,  0.00)
173:     vdw     (-23.961,  -0.589,  -2.766)  (-23.960,  -0.589,  -2.766)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.603,   1.374,   0.352)  ( -0.603,   1.374,   0.352)  ( 0.00,  0.00,  0.00)
173: 47       (  9.288, -38.945, -13.120)  (  9.293, -38.932, -13.118)  ( 0.05,  0.03,  0.02)
173:     bond    ( 11.188, -38.851, -10.799)  ( 11.189, -38.839, -10.798)  ( 0.01,  0.03,  0.01)
173:     angle   ( 14.206,   3.896,   0.711)  ( 14.210,   3.896,   0.711)  ( 0.02,  0.01,  0.00)
173:     torsion ( -0.076,   1.280,  -4.685)  ( -0.076,   1.281,  -4.684)  ( 0.00,  0.01,  0.03)
173:     oop     (  0.019,   0.262,  -0.924)  (  0.019,   0.262,  -0.924)  ( 0.00,  0.00,  0.01)
173:     vdw     (-16.315,  -5.485,   2.850)  (-16.314,  -5.485,   2.850)  ( 0.00,  0.00,  0.00)
173:     electro (  0.265,  -0.047,  -0.273)  (  0.265,  -0.047,  -0.273)  ( 0.00,  0.00,  0.00)
173: 48       (-60.403,  -5.035,  21.722)  (-60.390,  -5.032,  21.726)  ( 0.02,  0.06,  0.01)
173:     bond    (-64.105,  -1.676,  15.103)  (-64.092,  -1.676,  15.104)  ( 0.02,  0.02,  0.01)
173:     angle   (  1.444,  -3.785,   5.707)  (  1.444,  -3.783,   5.710)  ( 0.01,  0.06,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c35_nu3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c36_zo9.sdf
174:     torsion ( -1.038,  13.634,  -5.367)  ( -1.037,  13.635,  -5.367)  ( 0.03,  0.01,  0.01)
174:     vdw     ( -4.571,   4.440,  -2.554)  ( -4.571,   4.441,  -2.554)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-32.475,  31.345,  32.192)  (-32.426,  31.394,  32.237)  ( 0.15,  0.16,  0.14)
174:     bond    (102.715, -66.398, -21.758)  (102.751, -66.360, -21.722)  ( 0.03,  0.06,  0.16)
174:     angle   (-123.808,  88.959,  53.785)  (-123.795,  88.970,  53.794)  ( 0.01,  0.01,  0.02)
174:     torsion (-10.267,   8.070,   8.876)  (-10.266,   8.070,   8.877)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -1.115,   0.714,  -8.712)  ( -1.115,   0.714,  -8.711)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-103.569, -128.136,  25.148)  (-103.521, -128.087,  25.195)  ( 0.05,  0.04,  0.19)
174:     bond    (-211.119, -73.410, 130.098)  (-211.083, -73.372, 130.134)  ( 0.02,  0.05,  0.03)
174:     angle   (101.310, -53.221, -82.739)  (101.321, -53.210, -82.729)  ( 0.01,  0.02,  0.01)
174:     torsion (  5.623,  -5.739, -21.891)  (  5.624,  -5.739, -21.890)  ( 0.01,  0.01,  0.00)
174:     vdw     (  0.617,   4.234,  -0.319)  (  0.617,   4.234,  -0.319)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (148.003, -52.584, -46.357)  (148.054, -52.537, -46.309)  ( 0.03,  0.09,  0.10)
174:     bond    (221.998, -39.244, -98.043)  (222.035, -39.208, -98.006)  ( 0.02,  0.09,  0.04)
174:     angle   (-70.313, -11.690,  49.482)  (-70.300, -11.680,  49.490)  ( 0.02,  0.09,  0.02)
174:     torsion ( -2.951,  -1.563,   3.076)  ( -2.951,  -1.562,   3.078)  ( 0.01,  0.06,  0.06)
174:     vdw     ( -0.731,  -0.087,  -0.871)  ( -0.731,  -0.086,  -0.871)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-28.670,   8.134,  59.350)  (-28.622,   8.183,  59.400)  ( 0.17,  0.60,  0.09)
174:     bond    ( 16.428, -45.067, -62.295)  ( 16.463, -45.031, -62.257)  ( 0.22,  0.08,  0.06)
174:     angle   (-41.522,  59.612, 114.960)  (-41.510,  59.624, 114.973)  ( 0.03,  0.02,  0.01)
174:     torsion ( -2.101,  -4.714,   1.575)  ( -2.100,  -4.713,   1.575)  ( 0.02,  0.01,  0.01)
174:     vdw     ( -1.474,  -1.697,   5.109)  ( -1.474,  -1.697,   5.109)  ( 0.02,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (-65.776, -116.444, -168.849)  (-65.743, -116.432, -168.814)  ( 0.05,  0.01,  0.02)
174:     bond    (-91.400, -64.178, -145.605)  (-91.369, -64.168, -145.576)  ( 0.03,  0.02,  0.02)
174:     angle   (  5.291,   5.909, -19.982)  (  5.292,   5.911, -19.975)  ( 0.03,  0.03,  0.03)
174:     torsion ( 24.755, -54.327,  -0.890)  ( 24.755, -54.327,  -0.890)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.356,  -3.531,  -2.419)  ( -4.356,  -3.531,  -2.419)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.065,  -0.317,   0.047)  ( -0.065,  -0.317,   0.047)  ( 0.00,  0.00,  0.00)
174: 29       ( 13.541,  -1.375,  14.413)  ( 13.545,  -1.368,  14.436)  ( 0.03,  0.57,  0.16)
174:     bond    ( -2.527,   6.305,  13.258)  ( -2.526,   6.310,  13.280)  ( 0.03,  0.08,  0.17)
174:     angle   ( -1.790,  -7.991,   3.455)  ( -1.787,  -7.989,   3.456)  ( 0.15,  0.03,  0.02)
174:     torsion ( 11.156,   1.862,   1.237)  ( 11.156,   1.862,   1.237)  ( 0.00,  0.01,  0.00)
174:     vdw     (  6.701,  -1.551,  -3.538)  (  6.702,  -1.551,  -3.538)  ( 0.01,  0.02,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( 13.658,   3.967,   4.154)  ( 13.663,   3.973,   4.179)  ( 0.04,  0.14,  0.60)
174:     bond    ( -4.385,   6.385,  21.147)  ( -4.384,   6.387,  21.172)  ( 0.02,  0.03,  0.12)
174:     angle   ( -5.782,   6.470,  -3.150)  ( -5.779,   6.473,  -3.149)  ( 0.05,  0.04,  0.01)
174:     torsion ( -7.214,   3.986,  -2.696)  ( -7.214,   3.986,  -2.696)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 31.039, -12.874, -11.148)  ( 31.040, -12.874, -11.148)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c37_z21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c38_vup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c3a_q16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c3f_7kw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4e_4t9.sdf
173:     torsion (  0.505,   0.134,   2.158)  (  0.505,   0.134,   2.158)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001,   0.692,  -0.603)  ( -0.001,   0.692,  -0.603)  ( 0.00,  0.00,  0.00)
173:     electro (  1.754,  -0.400,  -0.643)  (  1.754,  -0.400,  -0.643)  ( 0.00,  0.00,  0.00)
173: 49       (  6.656,  15.165,  51.683)  (  6.661,  15.170,  51.692)  ( 0.08,  0.03,  0.02)
173:     bond    ( 22.852,  22.698,  38.776)  ( 22.855,  22.701,  38.784)  ( 0.01,  0.01,  0.02)
173:     angle   (-29.656,  -3.057,  19.263)  (-29.655,  -3.055,  19.263)  ( 0.01,  0.07,  0.00)
173:     torsion (  0.273,   0.567,  -0.493)  (  0.274,   0.567,  -0.493)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.331,  -3.920,  -4.538)  ( 11.332,  -3.920,  -4.538)  ( 0.00,  0.00,  0.00)
173:     electro (  1.856,  -1.123,  -1.324)  (  1.856,  -1.123,  -1.324)  ( 0.00,  0.00,  0.00)
173: 50       (-19.312,  60.730,  -2.431)  (-19.308,  60.742,  -2.429)  ( 0.02,  0.02,  0.11)
173:     bond    (-22.985,  58.803,   4.459)  (-22.983,  58.816,   4.459)  ( 0.01,  0.02,  0.01)
173:     angle   (  3.694,   2.016,  -7.548)  (  3.695,   2.016,  -7.546)  ( 0.05,  0.01,  0.03)
173:     torsion (  0.076,   0.028,   0.025)  (  0.076,   0.028,   0.025)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.302,  -0.163,   0.422)  ( -0.302,  -0.163,   0.422)  ( 0.00,  0.00,  0.00)
173:     electro (  0.205,   0.045,   0.211)  (  0.205,   0.045,   0.211)  ( 0.00,  0.00,  0.00)
173: 51       ( 53.698,   9.523, -25.687)  ( 53.711,   9.525, -25.684)  ( 0.02,  0.03,  0.01)
173:     bond    ( 54.442,   4.355, -16.447)  ( 54.455,   4.355, -16.445)  ( 0.02,  0.01,  0.01)
173:     angle   ( -6.098,  11.773, -17.075)  ( -6.098,  11.775, -17.073)  ( 0.00,  0.02,  0.01)
173:     torsion ( -0.007,  -0.072,  -0.041)  ( -0.007,  -0.072,  -0.041)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.822,  -6.594,   7.573)  (  4.822,  -6.594,   7.573)  ( 0.00,  0.00,  0.00)
173:     electro (  0.538,   0.061,   0.303)  (  0.538,   0.061,   0.303)  ( 0.00,  0.00,  0.00)
173: 52       (-27.923, -23.350, -51.173)  (-27.918, -23.345, -51.164)  ( 0.02,  0.02,  0.02)
173:     bond    (-31.596, -29.504, -46.330)  (-31.592, -29.500, -46.323)  ( 0.01,  0.01,  0.02)
173:     angle   (  3.410,   6.639,  -6.557)  (  3.412,   6.641,  -6.556)  ( 0.04,  0.03,  0.02)
173:     torsion ( -0.166,   0.111,   0.042)  ( -0.166,   0.111,   0.042)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.262,  -0.833,   1.812)  (  0.262,  -0.833,   1.812)  ( 0.00,  0.00,  0.00)
173:     electro (  0.167,   0.237,  -0.139)  (  0.167,   0.237,  -0.139)  ( 0.00,  0.00,  0.00)
173: 53       ( 12.631, -21.243,  -9.249)  ( 12.635, -21.226,  -9.248)  ( 0.03,  0.08,  0.01)
173:     bond    (  1.828, -15.373,   2.162)  (  1.828, -15.357,   2.162)  ( 0.01,  0.11,  0.01)
173:     angle   (  8.565,   1.417,   2.819)  (  8.568,   1.417,   2.819)  ( 0.04,  0.01,  0.02)
173:     torsion (  1.344,  -0.306,  -3.313)  (  1.344,  -0.306,  -3.312)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.500,   1.282,   1.201)  (  0.500,   1.282,   1.201)  ( 0.00,  0.00,  0.00)
173:     electro (  0.394,  -8.262, -12.118)  (  0.394,  -8.262, -12.118)  ( 0.00,  0.00,  0.00)
173: 54       (-14.784, -53.918,  -1.022)  (-14.780, -53.905,  -1.020)  ( 0.03,  0.02,  0.23)
173:     bond    (-18.551, -53.271,  -2.633)  (-18.549, -53.258,  -2.632)  ( 0.01,  0.02,  0.01)
173:     angle   (  1.160,  -0.437,   0.650)  (  1.162,  -0.437,   0.652)  ( 0.18,  0.01,  0.13)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.402,  -0.248,   0.900)  (  2.402,  -0.248,   0.900)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4f_7ce.sdf
175:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
175:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
175:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
175:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
175:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
175:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
175:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
175:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
175:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
175:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
175:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
175:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
175:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
175:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
175:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
175:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
175:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
175:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
175:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
175:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
175:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
175:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
175:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
175:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
175:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4g_7pe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4g_7ro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4i_x20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4j_x21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4r_yo5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4t_grx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4x_w9m.sdf
173:     electro (  0.204,   0.038,   0.061)  (  0.204,   0.038,   0.061)  ( 0.00,  0.00,  0.00)
173: 55       (-30.552,  23.822,  40.548)  (-30.546,  23.827,  40.555)  ( 0.02,  0.02,  0.02)
173:     bond    (-33.370,  29.535,  35.300)  (-33.365,  29.539,  35.305)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.150,  -6.357,   5.176)  ( -0.149,  -6.355,   5.177)  ( 0.02,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.225,   1.329,  -0.281)  (  2.225,   1.329,  -0.281)  ( 0.00,  0.00,  0.00)
173:     electro (  0.743,  -0.686,   0.354)  (  0.743,  -0.686,   0.354)  ( 0.00,  0.00,  0.00)
173: 56       (  4.719,  16.441, -53.633)  (  4.722,  16.445, -53.621)  ( 0.06,  0.03,  0.02)
173:     bond    ( -0.778,  22.587, -52.280)  ( -0.778,  22.589, -52.268)  ( 0.02,  0.01,  0.02)
173:     angle   (  3.260,  -6.806,  -2.990)  (  3.263,  -6.805,  -2.989)  ( 0.07,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.444,   1.315,   1.369)  (  1.444,   1.315,   1.369)  ( 0.00,  0.00,  0.00)
173:     electro (  0.792,  -0.655,   0.268)  (  0.792,  -0.655,   0.268)  ( 0.00,  0.00,  0.00)
173: 57       ( -1.732, -47.778, -45.510)  ( -1.730, -47.767, -45.503)  ( 0.15,  0.02,  0.01)
173:     bond    (  3.795, -54.841, -38.148)  (  3.796, -54.832, -38.144)  ( 0.01,  0.02,  0.01)
173:     angle   ( -2.631,   5.826,  -8.640)  ( -2.629,   5.827,  -8.638)  ( 0.08,  0.01,  0.02)
173:     torsion (  0.589,  -0.017,   0.083)  (  0.589,  -0.017,   0.083)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.066,   1.758,   0.897)  ( -4.066,   1.758,   0.897)  ( 0.00,  0.00,  0.00)
173:     electro (  0.581,  -0.504,   0.299)  (  0.581,  -0.504,   0.299)  ( 0.00,  0.00,  0.00)
173: 58       ( 50.420,  36.227, -10.971)  ( 50.432,  36.232, -10.968)  ( 0.02,  0.01,  0.03)
173:     bond    ( 55.952,  31.133,  -6.287)  ( 55.963,  31.136,  -6.286)  ( 0.02,  0.01,  0.01)
173:     angle   ( -2.282,   2.522,  -7.819)  ( -2.282,   2.523,  -7.817)  ( 0.02,  0.07,  0.03)
173:     torsion (  0.052,  -0.097,  -0.018)  (  0.052,  -0.097,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.740,   3.140,   2.809)  ( -3.740,   3.140,   2.809)  ( 0.00,  0.00,  0.00)
173:     electro (  0.439,  -0.470,   0.344)  (  0.439,  -0.470,   0.344)  ( 0.00,  0.00,  0.00)
173: 59       (-56.455, -35.574,   6.114)  (-56.444, -35.569,   6.117)  ( 0.02,  0.02,  0.05)
173:     bond    (-59.090, -35.589,   6.014)  (-59.080, -35.585,   6.015)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.971,  -2.844,   2.547)  (  1.971,  -2.842,   2.550)  ( 0.03,  0.05,  0.09)
173:     torsion ( -0.002,  -0.041,  -0.260)  ( -0.002,  -0.041,  -0.260)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.254,   2.953,  -2.641)  (  0.254,   2.953,  -2.641)  ( 0.00,  0.00,  0.00)
173:     electro (  0.412,  -0.053,   0.454)  (  0.412,  -0.053,   0.454)  ( 0.00,  0.00,  0.00)
173: 60       ( 50.380, -43.074,  21.150)  ( 50.389, -43.067,  21.153)  ( 0.02,  0.02,  0.02)
173:     bond    ( 52.215, -43.110,  20.266)  ( 52.222, -43.104,  20.268)  ( 0.02,  0.01,  0.01)
173:     angle   ( -0.583,  -0.346,   0.764)  ( -0.582,  -0.345,   0.766)  ( 0.05,  0.05,  0.17)
173:     torsion ( -1.138,  -1.119,   0.554)  ( -1.138,  -1.119,   0.554)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.230,   1.391,  -0.524)  ( -0.230,   1.391,  -0.524)  ( 0.00,  0.00,  0.00)
173:     electro (  0.117,   0.110,   0.090)  (  0.117,   0.110,   0.090)  ( 0.00,  0.00,  0.00)
173: 61       ( -6.760,  -9.653,  62.290)  ( -6.757,  -9.649,  62.303)  ( 0.04,  0.04,  0.02)
173:     bond    ( -5.707, -18.261,  60.173)  ( -5.707, -18.260,  60.185)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4y_7wi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c4z_w9l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c52_x0d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c5a_ds0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c5d_x0r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c5w_nm3.sdf
173:     angle   ( -2.134,   9.751,   2.757)  ( -2.132,   9.754,   2.757)  ( 0.09,  0.02,  0.01)
173:     torsion (  0.825,  -0.029,   0.070)  (  0.825,  -0.029,   0.070)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.163,  -1.019,  -0.626)  (  0.163,  -1.019,  -0.626)  ( 0.00,  0.00,  0.00)
173:     electro (  0.093,  -0.096,  -0.083)  (  0.093,  -0.096,  -0.083)  ( 0.00,  0.00,  0.00)
173: 62       ( 48.800,  36.802,  -0.913)  ( 48.811,  36.808,  -0.910)  ( 0.02,  0.02,  0.23)
173:     bond    ( 52.179,  33.691,  -4.765)  ( 52.189,  33.695,  -4.765)  ( 0.02,  0.01,  0.01)
173:     angle   ( -2.735,   5.228,   7.025)  ( -2.734,   5.229,   7.028)  ( 0.02,  0.03,  0.03)
173:     torsion ( -0.332,   0.433,  -0.571)  ( -0.332,   0.433,  -0.571)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.358,  -2.314,  -2.542)  ( -0.358,  -2.314,  -2.542)  ( 0.00,  0.00,  0.00)
173:     electro (  0.045,  -0.235,  -0.060)  (  0.045,  -0.235,  -0.060)  ( 0.00,  0.00,  0.00)
173: 63       (-44.626,  39.990,  -8.474)  (-44.617,  39.997,  -8.471)  ( 0.02,  0.02,  0.04)
173:     bond    (-46.989,  36.366, -12.293)  (-46.980,  36.371, -12.293)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.890,   6.515,  12.055)  (  1.890,   6.517,  12.057)  ( 0.04,  0.02,  0.02)
173:     torsion ( -0.548,  -0.498,   0.621)  ( -0.548,  -0.498,   0.621)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.844,  -2.227,  -8.803)  (  0.844,  -2.227,  -8.803)  ( 0.00,  0.00,  0.00)
173:     electro (  0.176,  -0.165,  -0.054)  (  0.176,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
173: ok 36 # gradients 
173: ok 37 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (217.044, -41.967,   0.965)  (217.081, -41.921,   0.968)  ( 0.02,  0.11,  0.32)
173:     bond    ( 98.283, -136.446,   0.429)  ( 98.310, -136.411,   0.430)  ( 0.03,  0.03,  0.03)
173:     angle   (108.109,  94.020,  -0.224)  (108.119,  94.030,  -0.224)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.000,   0.002,   0.769)  ( -0.000,   0.002,   0.772)  ( 0.00,  0.00,  0.21)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.972,   1.025,  -0.006)  (  6.972,   1.026,  -0.006)  ( 0.00,  0.02,  0.00)
173:     electro (  3.680,  -0.569,  -0.004)  (  3.680,  -0.569,  -0.004)  ( 0.00,  0.00,  0.00)
173:  2       (-47.166, -62.201,   0.047)  (-47.133, -62.163,   0.053)  ( 0.07,  0.06,  0.03)
173:     bond    (  2.183, -37.674,  -0.047)  (  2.207, -37.646,  -0.047)  ( 1.12,  0.07,  0.00)
173:     angle   (-48.885, -24.699,   0.210)  (-48.876, -24.689,   0.211)  ( 0.02,  0.04,  0.03)
173:     torsion ( -0.000,  -0.001,  -0.116)  ( -0.000,  -0.001,  -0.111)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.464,   0.172,  -0.000)  ( -0.464,   0.172,  -0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.007,  -0.199,  -0.169)  (  0.025,  -0.163,  -0.163)  ( 0.02,  0.71,  0.09)
173:     bond    ( -8.735,  15.518,   0.028)  ( -8.712,  15.547,   0.027)  ( 0.27,  0.18,  0.00)
173:     angle   ( 32.220, -21.912,  -0.057)  ( 32.229, -21.905,  -0.057)  ( 0.03,  0.03,  0.00)
173:     torsion ( -0.000,   0.000,  -0.167)  ( -0.000,   0.000,  -0.162)  ( 0.00,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.286,   6.216,   0.027)  (-21.286,   6.216,   0.027)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.206,  -0.021,   0.001)  ( -2.206,  -0.021,   0.001)  ( 0.00,  0.00,  0.00)
173:  4       ( 48.113,  21.924,  -0.078)  ( 48.140,  21.952,  -0.052)  ( 0.06,  0.12,  0.21)
173:     bond    (  5.579,   9.409,  -0.160)  (  5.598,   9.427,  -0.141)  ( 0.34,  0.20,  0.30)
175:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
175:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
175:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
175:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
175:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
175:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
175:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
175:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
175:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
175:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
175:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
175:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
175:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
175:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
175:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
175:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
175:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
175:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
175:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
175:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     angle   ( 55.601,  17.739,  -0.020)  ( 55.610,  17.748,  -0.014)  ( 0.02,  0.05,  0.01)
173:     torsion (  0.000,  -0.000,   0.125)  (  0.000,  -0.000,   0.125)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.294,  -5.214,  -0.022)  (-12.294,  -5.214,  -0.022)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.773,  -0.009,  -0.001)  ( -0.773,  -0.009,  -0.001)  ( 0.00,  0.00,  0.00)
173:  5       ( 32.755, -22.139,  -0.348)  ( 32.766, -22.118,  -0.348)  ( 0.03,  0.10,  0.02)
173:     bond    ( -4.057,  -6.858,  -0.005)  ( -4.050,  -6.838,  -0.005)  ( 0.17,  0.29,  0.00)
173:     angle   ( -2.186,   1.292,  -0.127)  ( -2.183,   1.293,  -0.127)  ( 0.14,  0.08,  0.00)
173:     torsion (  0.001,  -0.000,  -0.181)  (  0.001,  -0.000,  -0.180)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 38.247,  -9.107,  -0.046)  ( 38.248,  -9.107,  -0.046)  ( 0.00,  0.00,  0.00)
173:     electro (  0.751,  -7.466,   0.010)  (  0.751,  -7.466,   0.010)  ( 0.00,  0.00,  0.00)
173:  6       (-165.539,  22.277,  -0.538)  (-165.515,  22.298,  -0.537)  ( 0.01,  0.09,  0.04)
173:     bond    (-102.426, 142.178,  -0.414)  (-102.405, 142.193,  -0.414)  ( 0.02,  0.01,  0.02)
173:     angle   (-102.464, -133.859,   0.470)  (-102.461, -133.854,   0.469)  ( 0.00,  0.00,  0.05)
173:     torsion ( -0.000,  -0.002,  -0.668)  ( -0.000,  -0.002,  -0.667)  ( 0.00,  0.00,  0.08)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 44.794,  13.953,   0.080)  ( 44.796,  13.953,   0.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.443,   0.007,  -0.005)  ( -5.443,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
173:  7       (-20.820,  26.022,   0.060)  (-20.805,  26.025,   0.061)  ( 0.07,  0.01,  0.01)
173:     bond    (-20.292,   0.224,   0.019)  (-20.278,   0.223,   0.019)  ( 0.07,  0.00,  0.00)
173:     angle   (  0.222,  20.146,   0.024)  (  0.222,  20.149,   0.024)  ( 0.00,  0.02,  0.00)
173:     torsion (  0.000,  -0.000,   0.009)  (  0.000,  -0.000,   0.010)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.726,   5.394,   0.008)  ( -1.726,   5.394,   0.008)  ( 0.00,  0.00,  0.00)
173:     electro (  0.976,   0.259,   0.001)  (  0.976,   0.259,   0.001)  ( 0.00,  0.00,  0.00)
173:  8       (-23.697,  38.579,   0.065)  (-23.690,  38.590,   0.066)  ( 0.03,  0.03,  0.01)
173:     bond    ( 10.313,  17.407,   0.011)  ( 10.317,  17.417,   0.011)  ( 0.04,  0.06,  0.00)
173:     angle   (-17.330,  10.263,   0.028)  (-17.328,  10.264,   0.028)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.000,   0.000,  -0.005)  ( -0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.009,  11.655,   0.032)  (-19.008,  11.656,   0.032)  ( 0.00,  0.00,  0.00)
173:     electro (  2.329,  -0.747,  -0.001)  (  2.329,  -0.747,  -0.001)  ( 0.00,  0.00,  0.00)
173:  9       (-41.100, -31.821,  -0.090)  (-41.092, -31.812,  -0.088)  ( 0.02,  0.03,  0.02)
173:     bond    (  3.583,  -4.301,  -0.008)  (  3.589,  -4.293,  -0.008)  ( 0.16,  0.19,  0.00)
173:     angle   (-11.835,  -9.893,  -0.020)  (-11.834,  -9.892,  -0.018)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.686, -18.266,  -0.067)  (-34.685, -18.266,  -0.067)  ( 0.00,  0.00,  0.00)
173:     electro (  1.838,   0.640,   0.005)  (  1.838,   0.640,   0.005)  ( 0.00,  0.00,  0.00)
173: 10       ( -8.246, -17.014,   1.017)  ( -8.240, -17.012,   1.027)  ( 0.07,  0.01,  0.99)
173:     bond    ( -3.280,  -0.271,   4.647)  ( -3.275,  -0.271,   4.656)  ( 0.14,  0.00,  0.20)
173:     angle   ( -5.220, -13.791,  -4.475)  ( -5.218, -13.789,  -4.474)  ( 0.03,  0.02,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.507,  -2.830,   0.968)  ( -0.507,  -2.830,   0.968)  ( 0.00,  0.00,  0.00)
173:     electro (  0.762,  -0.121,  -0.123)  (  0.762,  -0.121,  -0.123)  ( 0.00,  0.00,  0.00)
173: 11       ( -8.139, -17.024,  -0.916)  ( -8.133, -17.022,  -0.906)  ( 0.08,  0.01,  0.92)
173:     bond    ( -3.185,  -0.252,  -4.513)  ( -3.180,  -0.252,  -4.504)  ( 0.15,  0.00,  0.21)
173:     angle   ( -5.204, -13.823,   4.447)  ( -5.203, -13.821,   4.447)  ( 0.03,  0.02,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.510,  -2.828,  -0.973)  ( -0.510,  -2.827,  -0.973)  ( 0.00,  0.00,  0.00)
173:     electro (  0.759,  -0.122,   0.123)  (  0.759,  -0.122,   0.123)  ( 0.00,  0.00,  0.00)
173: 12       ( 16.579,  83.343,  -0.081)  ( 16.595,  83.346,  -0.081)  ( 0.09,  0.00,  0.00)
173:     bond    ( 21.865,   0.904,  -0.025)  ( 21.880,   0.904,  -0.025)  ( 0.07,  0.01,  0.00)
173:     angle   ( -3.076,  74.463,  -0.266)  ( -3.076,  74.465,  -0.267)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.000,   0.001,   0.216)  (  0.000,   0.001,   0.216)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.210,   7.976,  -0.006)  ( -2.210,   7.976,  -0.006)  ( 0.00,  0.00,  0.00)
173: ok 38 # gradients 
173: 1..38
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c61_lmm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c62_xww.sdf
172/223 Test #173: test_ffgaff_1 ....................   Passed    0.96 sec
test 176
        Start 176: test_ffmmff94_2
176: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "2"
176: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
176: Environment variables: 
176:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
176:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
176: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c6l_fot.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c6z_tle.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c70_tlj.sdf
174: 31       (  1.990,   9.393,   5.876)  (  1.994,   9.399,   5.901)  ( 0.22,  0.06,  0.42)
174:     bond    ( -2.566,   4.555,  13.872)  ( -2.565,   4.558,  13.897)  ( 0.03,  0.06,  0.18)
174:     angle   ( -2.429,   9.198,  -3.466)  ( -2.426,   9.201,  -3.466)  ( 0.12,  0.03,  0.01)
174:     torsion (  6.879,   9.288,  -1.777)  (  6.879,   9.289,  -1.777)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.105, -13.649,  -2.753)  (  0.106, -13.648,  -2.753)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       ( 57.837,   1.786, -27.115)  ( 57.842,   1.793, -27.093)  ( 0.01,  0.42,  0.08)
174:     bond    (  3.506,  -7.742, -15.918)  (  3.507,  -7.737, -15.897)  ( 0.03,  0.07,  0.14)
174:     angle   (  9.605,   7.418,  -1.493)  (  9.608,   7.421,  -1.492)  ( 0.03,  0.03,  0.04)
174:     torsion ( 18.659,  -1.057,   4.631)  ( 18.659,  -1.057,   4.631)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 26.067,   3.167, -14.335)  ( 26.068,   3.167, -14.335)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       ( 14.364, -13.743, -37.821)  ( 14.377, -13.739, -37.804)  ( 0.10,  0.03,  0.05)
174:     bond    ( -7.727,   1.849,  -8.864)  ( -7.715,   1.850,  -8.848)  ( 0.15,  0.03,  0.17)
174:     angle   ( 33.140, -19.453, -32.965)  ( 33.142, -19.450, -32.963)  ( 0.01,  0.01,  0.01)
174:     torsion ( -4.366,   1.112,   4.039)  ( -4.366,   1.112,   4.039)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -6.683,   2.749,  -0.032)  ( -6.683,   2.750,  -0.032)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 23.884, -10.167,  29.657)  ( 23.892, -10.160,  29.677)  ( 0.04,  0.07,  0.07)
174:     bond    ( -7.250,   6.500,  13.231)  ( -7.245,   6.504,  13.249)  ( 0.07,  0.07,  0.14)
174:     angle   ( 47.238, -12.047,  31.744)  ( 47.240, -12.044,  31.746)  ( 0.01,  0.02,  0.00)
174:     torsion (  9.341,  -1.519,   5.853)  (  9.341,  -1.519,   5.854)  ( 0.00,  0.00,  0.00)
174:     vdw     (-25.444,  -3.102, -21.171)  (-25.444,  -3.102, -21.171)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       ( 10.332, -31.970,   1.348)  ( 10.338, -31.963,   1.370)  ( 0.06,  0.02,  1.69)
174:     bond    (  3.124,  -3.066,  -8.742)  (  3.127,  -3.063,  -8.719)  ( 0.09,  0.09,  0.25)
174:     angle   ( 12.608, -22.166,  12.308)  ( 12.611, -22.163,  12.308)  ( 0.02,  0.01,  0.00)
174:     torsion (  0.153,  -7.870,   2.819)  (  0.153,  -7.869,   2.819)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.553,   1.132,  -5.038)  ( -5.553,   1.132,  -5.038)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       ( -6.466,  20.884,  20.761)  ( -6.462,  20.911,  20.765)  ( 0.07,  0.13,  0.02)
174:     bond    ( -3.810,  19.131,  -1.834)  ( -3.809,  19.158,  -1.834)  ( 0.03,  0.14,  0.01)
174:     angle   (  4.504,   3.776,  30.076)  (  4.507,   3.776,  30.079)  ( 0.06,  0.00,  0.01)
174:     torsion (  2.297,   0.110,  -3.623)  (  2.297,   0.110,  -3.623)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -9.457,  -2.132,  -3.858)  ( -9.456,  -2.132,  -3.858)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       (-12.946,  50.711,   2.547)  (-12.941,  50.715,   2.571)  ( 0.05,  0.01,  0.96)
174:     bond    ( -4.292,   1.550,  11.849)  ( -4.289,   1.550,  11.873)  ( 0.07,  0.02,  0.20)
174:     angle   (-11.613,  41.830,  -9.657)  (-11.611,  41.833,  -9.657)  ( 0.02,  0.01,  0.00)
174:     torsion ( -0.350,  14.090,  -1.966)  ( -0.350,  14.090,  -1.966)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.310,  -6.758,   2.322)  (  3.310,  -6.758,   2.322)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       ( 12.162,  -2.679, -25.125)  ( 12.166,  -2.652, -25.121)  ( 0.04,  0.99,  0.01)
174:     bond    (  0.872,  -4.448,  -0.345)  (  0.873,  -4.421,  -0.345)  ( 0.09,  0.60,  0.00)
174:     angle   ( 29.617,   8.776, -37.482)  ( 29.620,   8.776, -37.478)  ( 0.01,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c71_7rd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c72_tlg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c73_tlh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c7b_bvb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c7j_4yq.sdf
176: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c7k_dzl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c7t_5ri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c8k_bmr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c8r_6yt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c9f_gq2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c9f_gq4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4c9x_vhs.sdf
175:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
175:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
175:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
175:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
175:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
175:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
175:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
175:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
175:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
175:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
175:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
175:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
175:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
175:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
175:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
175:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
175:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
175:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
175:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
175:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
175:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
175:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ca4_kgm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ca6_3ef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cao_m46.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cap_ml6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4caq_m68.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4car_m87.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4caw_p3u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cax_646.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cb5_93g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cb6_29r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cb7_41g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cbt_9f4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cby_kee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cc5_l5v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cc6_l5y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ccb_ofg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ccu_awf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cd0_awj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cd3_8e9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ce1_7fk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ce2_bo5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ce3_l4v.sdf
175:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
175:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
175:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
175:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
175:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
175:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
175:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
175:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
175:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
175:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
175:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
175:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
175:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
175:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
175: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
175:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
175:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
175:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
175:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
175:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
175:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cec_2ss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ced_9ns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cee_b0t.sdf
174:     torsion ( -3.954,  -1.555,   9.923)  ( -3.954,  -1.555,   9.923)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.374,  -5.451,   2.779)  (-14.373,  -5.451,   2.779)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-11.317,  11.623,   1.301)  (-11.314,  11.651,   1.304)  ( 0.03,  0.24,  0.26)
174:     bond    ( -0.745,  13.908,  -2.464)  ( -0.745,  13.936,  -2.463)  ( 0.01,  0.20,  0.04)
174:     angle   (-23.223,  -1.528,  -1.621)  (-23.220,  -1.528,  -1.621)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.064,   0.711,   4.004)  (  0.064,   0.712,   4.006)  ( 0.00,  0.00,  0.06)
174:     vdw     ( 12.897,  -1.590,   1.285)  ( 12.898,  -1.590,   1.285)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.311,   0.122,   0.097)  ( -0.311,   0.122,   0.097)  ( 0.00,  0.00,  0.00)
174: 40       (  9.143,   6.478,  24.537)  (  9.153,   6.483,  24.556)  ( 0.11,  0.08,  0.08)
174:     bond    ( 10.107,  -5.604,  15.334)  ( 10.114,  -5.601,  15.351)  ( 0.08,  0.04,  0.12)
174:     angle   ( -9.548,  13.884,  11.355)  ( -9.546,  13.887,  11.357)  ( 0.02,  0.02,  0.01)
174:     torsion (  6.178,   3.402,  -2.829)  (  6.179,   3.402,  -2.829)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.406,  -5.205,   0.678)  (  2.406,  -5.205,   0.678)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       ( -4.650,   7.844, -34.403)  ( -4.641,   7.850, -34.384)  ( 0.20,  0.07,  0.06)
174:     bond    ( 10.859,  -6.746, -17.542)  ( 10.866,  -6.743, -17.524)  ( 0.06,  0.04,  0.10)
174:     angle   ( -5.836,  27.046, -14.027)  ( -5.834,  27.049, -14.026)  ( 0.04,  0.01,  0.01)
174:     torsion ( -7.800,  -2.305,  -3.950)  ( -7.800,  -2.304,  -3.950)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.873, -10.151,   1.116)  ( -1.873, -10.151,   1.116)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       (-18.227,  16.574,  22.437)  (-18.223,  16.579,  22.464)  ( 0.02,  0.03,  0.12)
174:     bond    ( -4.536,  -1.204,  23.491)  ( -4.535,  -1.204,  23.517)  ( 0.02,  0.00,  0.11)
174:     angle   (-18.756,  29.534,  -2.104)  (-18.754,  29.538,  -2.104)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.359,  12.650,   0.578)  ( -0.359,  12.650,   0.578)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.424, -24.406,   0.473)  (  5.425, -24.406,   0.473)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 43       (  9.439, -23.152, -26.152)  (  9.445, -23.130, -26.147)  ( 0.07,  0.10,  0.02)
174:     bond    ( 10.127, -23.154,  -7.124)  ( 10.131, -23.133,  -7.122)  ( 0.04,  0.09,  0.03)
174:     angle   (  3.098,  12.480, -36.129)  (  3.100,  12.481, -36.126)  ( 0.07,  0.00,  0.01)
174:     torsion ( -4.414,  -5.361,  11.133)  ( -4.414,  -5.361,  11.133)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.628,  -7.117,   5.968)  (  0.628,  -7.117,   5.968)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 44       (-18.308,  21.708,  37.195)  (-18.302,  21.715,  37.216)  ( 0.03,  0.03,  0.06)
174:     bond    ( 12.023,  14.421,  31.723)  ( 12.026,  14.425,  31.744)  ( 0.02,  0.03,  0.06)
174:     angle   (-25.967,  22.741,  -0.499)  (-25.964,  22.743,  -0.498)  ( 0.01,  0.01,  0.04)
174:     torsion ( -6.470,  -5.757,   5.067)  ( -6.470,  -5.757,   5.067)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.106,  -9.696,   0.903)  (  2.106,  -9.695,   0.903)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 45       ( 17.466,  -4.350, -19.478)  ( 17.485,  -4.344, -19.468)  ( 0.11,  0.14,  0.05)
174:     bond    ( 15.328,  -6.631,  -9.661)  ( 15.346,  -6.628,  -9.654)  ( 0.11,  0.05,  0.07)
174:     angle   (-12.774,  -6.804, -15.635)  (-12.772,  -6.801, -15.633)  ( 0.01,  0.04,  0.02)
174:     torsion (  4.665,   8.801,   1.373)  (  4.665,   8.801,   1.373)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 10.247,   0.284,   4.446)  ( 10.247,   0.284,   4.446)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cef_d0t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ceo_g0t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ceq_qch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cer_vl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ces_nfw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cf0_o5u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cf1_iy7.sdf
175:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
175: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
175:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
175:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
175:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
175:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
175:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
175:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
175:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
175:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
175:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
175:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
175:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
175:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
175:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
175:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
175:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
175:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
175:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
175:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cf2_3gm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cf8_v7h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cf9_5ey.sdf
175:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
175:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
175:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
175:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
175:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
175:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
175:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
175:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
175:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
175:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
175:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
175:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
175:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
175:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
175:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
175:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfa_wop.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfc_7nv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfd_s8y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfl_8dq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfs_hqd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cft_m48.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfu_2wc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfv_75x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfw_sq9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cfx_g6t.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 46       (  5.443, -10.453,  10.349)  (  5.446, -10.446,  10.374)  ( 0.06,  0.07,  0.24)
174:     bond    ( -1.383,   3.610,  10.485)  ( -1.382,   3.613,  10.510)  ( 0.03,  0.08,  0.23)
174:     angle   ( -3.762,   9.525,  -3.770)  ( -3.759,   9.528,  -3.769)  ( 0.07,  0.03,  0.01)
174:     torsion (  2.060, -14.244,   5.167)  (  2.060, -14.244,   5.167)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.527,  -9.343,  -1.534)  (  8.528,  -9.342,  -1.534)  ( 0.01,  0.01,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 47       ( 14.909,  24.069,  -0.998)  ( 14.921,  24.080,  -0.985)  ( 0.08,  0.04,  1.22)
174:     bond    (-19.186,  18.209,  19.946)  (-19.177,  18.217,  19.955)  ( 0.05,  0.05,  0.05)
174:     angle   (-10.140, -12.273,   1.458)  (-10.138, -12.271,   1.460)  ( 0.02,  0.02,  0.11)
174:     torsion (  1.713,  -3.616,   4.947)  (  1.713,  -3.616,   4.947)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 42.522,  21.749, -27.348)  ( 42.523,  21.749, -27.347)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 48       (  0.271,  -6.369, -45.452)  (  0.284,  -6.356, -45.443)  ( 0.33,  0.21,  0.02)
174:     bond    ( 15.320, -16.319, -12.372)  ( 15.330, -16.308, -12.365)  ( 0.06,  0.07,  0.05)
174:     angle   ( -6.821,  10.229, -21.950)  ( -6.819,  10.231, -21.947)  ( 0.03,  0.02,  0.01)
174:     torsion ( -4.990,   5.362, -13.259)  ( -4.990,   5.362, -13.259)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.237,  -5.641,   2.128)  ( -3.237,  -5.641,   2.128)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 49       (  1.829,   5.218,  10.089)  (  1.832,   5.223,  10.115)  ( 0.19,  0.10,  0.26)
174:     bond    (  0.604,  -2.066,   9.001)  (  0.604,  -2.065,   9.027)  ( 0.00,  0.06,  0.29)
174:     angle   (-16.609,   6.716,   2.648)  (-16.606,   6.719,   2.648)  ( 0.02,  0.05,  0.01)
174:     torsion (  8.906,  -7.026,  -2.203)  (  8.906,  -7.026,  -2.203)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.928,   7.594,   0.643)  (  8.928,   7.595,   0.643)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 50       (-11.640,   3.698,  15.971)  (-11.634,   3.710,  15.987)  ( 0.06,  0.32,  0.10)
174:     bond    ( -5.694,   8.448,  10.662)  ( -5.690,   8.457,  10.677)  ( 0.07,  0.11,  0.14)
174:     angle   (  7.408,  -8.795,  10.912)  (  7.411,  -8.792,  10.914)  ( 0.03,  0.02,  0.02)
174:     torsion ( -7.136,   5.355,  -8.045)  ( -7.136,   5.355,  -8.045)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.219,  -1.310,   2.441)  ( -6.218,  -1.310,   2.441)  ( 0.00,  0.03,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       ( 66.926,   4.468, -23.568)  ( 66.934,   4.475, -23.545)  ( 0.01,  0.16,  0.10)
174:     bond    (-15.111,  19.836, -44.913)  (-15.108,  19.840, -44.892)  ( 0.01,  0.02,  0.05)
174:     angle   (-11.684, -27.275,  -8.122)  (-11.681, -27.272,  -8.122)  ( 0.02,  0.01,  0.01)
174:     torsion (  8.855,  -9.794,  -7.309)  (  8.855,  -9.794,  -7.309)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 84.866,  21.701,  36.777)  ( 84.869,  21.701,  36.777)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (-18.901,  20.130,  41.937)  (-18.895,  20.135,  41.961)  ( 0.03,  0.02,  0.06)
174:     bond    (  8.042,  -5.998,  22.303)  (  8.045,  -5.996,  22.326)  ( 0.04,  0.03,  0.10)
174:     angle   (-15.750,  30.338,  13.823)  (-15.747,  30.341,  13.824)  ( 0.02,  0.01,  0.00)
174:     torsion ( -8.777,   2.120,   3.732)  ( -8.777,   2.120,   3.732)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.416,  -6.330,   2.079)  ( -2.416,  -6.330,   2.079)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       ( -2.896,  -4.389, -11.917)  ( -2.889,  -4.374, -11.904)  ( 0.24,  0.34,  0.11)
174:     bond    (  1.758,  -3.138,  -2.882)  (  1.762,  -3.126,  -2.871)  ( 0.23,  0.41,  0.38)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cg8_g8s.sdf
175: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
175:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
175:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
175:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
175:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
175:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
175:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
175:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
175:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
175:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
175:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
175:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
175:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
175:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cg9_gqg.sdf
176: ok 1 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : cudpas.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
176:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
176:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
176:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
176:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
176:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
176:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
176:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
176:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
176:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
176:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
176:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
176:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
176:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
176:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
176:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
176:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
176:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
176:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
176:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
176:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
176:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
176:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
176:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
176:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
176:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
176:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
176:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
176:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
176:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
176:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
176:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
176:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
176:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
176:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
176:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
176:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
176:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
176:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
176:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
176:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cga_qlw.sdf
176:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
176:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
176:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
176:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
176:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
176:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
176:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
176:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
176:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
176:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
176:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
176:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
176:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
176:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
176:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
176:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
176:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
176:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
176:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
176:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
176:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
176:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
176:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
176: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
176:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
176:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
176:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
176:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
176:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
176:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
176:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cgd_8p3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cgf_uj6.sdf
176:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
176:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
176:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
176:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
176:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
176:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
176:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
176:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
176: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
176:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
176:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
176:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
176:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
176:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
176: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
176:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
176:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
176:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
176:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
176:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
176:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
176:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
176:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
176:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
176:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
176:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
176: ok 2 # gradients 
176: ok 3 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fadvub.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cgg_k5q.sdf
176:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
176:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
176:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
176:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
176:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
176:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
176:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
176:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
176:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
176:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
176:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
176:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
176:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
176:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
176:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
176:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
176:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
176:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
176:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
176:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
176:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
176:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
176:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
176:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
176:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
176:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
176:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cgh_loz.sdf
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
175:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
175:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
175:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
175:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
175:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
175:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
175:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
175:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
175:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
175:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
175:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
175:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
175:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
175:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
175:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
176:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
176:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
176:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
176:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
176:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
176:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
176:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
176:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
176:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
176:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
176:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
176:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
176:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
176:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
176:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
176:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
176: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
176:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
176:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
176:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
176:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
176:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
176: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
176:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
176:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
176:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
176:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cgi_nzl.sdf
176:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
176:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
176:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
176:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
176:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
176:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
176:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
176:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
176:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
176:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
176:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
176:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
176:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cho_u2z.sdf
176:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
176:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
176:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
176:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
176:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
176:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
176:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
176:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
176:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
176:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
176: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
176:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
176:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
176:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
176:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
176: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4chq_cwu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4chy_c5q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ci1_ef2.sdf
176:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
176:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
176:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
176: ok 4 # gradients 
176: ok 5 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fiybiy.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ci3_y70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ci4_y1n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cib_7uz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cie_y7n.sdf
176:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
176:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
176:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
176:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
176:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
176:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
176:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
176:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
176:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
176:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
176:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
176:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
176:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
176:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
176:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
176:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
176:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
176:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
176:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
176:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
176:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
176:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
176:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
176:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
176:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
176:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
176:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
176:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
176:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
176:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
176:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cif_jdx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cig_x0p.sdf
176:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
176:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
176:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
176:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
176:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
176:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
176:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
176:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
176:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
176:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
176:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
176:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
176:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
176:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
176:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
176:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
176:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
176:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
176:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
176:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
176:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
176:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
176:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
176: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
176:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
176:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
176:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
176:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
176:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
176: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
176:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
176:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
176:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
176:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
176:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
176:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
176: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cik_xo3.sdf
174:     angle   (-18.853,   1.811, -13.541)  (-18.850,   1.812, -13.539)  ( 0.01,  0.09,  0.02)
174:     torsion (  8.054,   2.591,   2.121)  (  8.054,   2.591,   2.121)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.145,  -5.652,   2.385)  (  6.145,  -5.652,   2.385)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 54       (-15.234,  -2.793, -16.466)  (-15.230,  -2.789, -16.439)  ( 0.02,  0.13,  0.17)
174:     bond    (  0.489,  -0.125,  -5.592)  (  0.489,  -0.125,  -5.564)  ( 0.01,  0.00,  0.49)
174:     angle   ( -0.277,  -2.344,   0.028)  ( -0.274,  -2.342,   0.028)  ( 0.07,  0.12,  0.00)
174:     torsion (-15.165,  -2.831,  -1.270)  (-15.165,  -2.831,  -1.270)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -0.280,   2.507,  -9.633)  ( -0.280,   2.508,  -9.633)  ( 0.00,  0.02,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       (-35.014, -23.448, -13.773)  (-34.988, -23.444, -13.767)  ( 0.07,  0.02,  0.04)
174:     bond    (-42.421,  -3.708, -12.496)  (-42.395,  -3.708, -12.494)  ( 0.06,  0.00,  0.02)
174:     angle   (  2.620, -44.077,   4.186)  (  2.620, -44.074,   4.190)  ( 0.01,  0.01,  0.09)
174:     torsion (  1.119,   1.922,  -4.368)  (  1.119,   1.922,  -4.368)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.668,  22.415,  -1.095)  (  3.668,  22.416,  -1.095)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       ( -5.812, -27.433,  37.928)  ( -5.808, -27.429,  37.955)  ( 0.07,  0.02,  0.07)
174:     bond    (  0.956,   6.372,  29.517)  (  0.956,   6.373,  29.544)  ( 0.01,  0.02,  0.09)
174:     angle   (  6.708, -34.340,   7.190)  (  6.712, -34.336,   7.190)  ( 0.06,  0.01,  0.00)
174:     torsion ( -5.135,  -3.628,   0.949)  ( -5.135,  -3.628,   0.949)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.342,   4.162,   0.272)  ( -8.341,   4.162,   0.272)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 57       ( 24.496,  -2.483,  -6.484)  ( 24.503,  -2.464,  -6.474)  ( 0.03,  0.75,  0.15)
174:     bond    (  2.792,   5.902,  -3.640)  (  2.795,   5.919,  -3.634)  ( 0.14,  0.29,  0.18)
174:     angle   ( 24.017, -16.515,  -8.425)  ( 24.020, -16.514,  -8.422)  ( 0.01,  0.01,  0.04)
174:     torsion (  3.410,   1.056,   4.344)  (  3.410,   1.056,   4.344)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.722,   7.074,   1.237)  ( -5.722,   7.074,   1.237)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       ( -1.265, -41.556, -20.451)  ( -1.253, -41.537, -20.446)  ( 0.92,  0.05,  0.02)
174:     bond    ( 19.836, -27.005,  -6.315)  ( 19.845, -26.988,  -6.314)  ( 0.05,  0.06,  0.01)
174:     angle   (-27.049, -17.025, -12.251)  (-27.047, -17.024, -12.247)  ( 0.01,  0.01,  0.03)
174:     torsion (  0.947,   1.352,  -2.804)  (  0.947,   1.352,  -2.804)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.002,   1.122,   0.919)  (  5.002,   1.123,   0.919)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (-12.302,  15.241, -22.467)  (-12.293,  15.260, -22.460)  ( 0.07,  0.13,  0.03)
174:     bond    (  5.921,  10.746,  -5.413)  (  5.926,  10.764,  -5.409)  ( 0.09,  0.17,  0.08)
174:     angle   (-24.933,   2.911, -21.522)  (-24.930,   2.913, -21.519)  ( 0.01,  0.05,  0.01)
174:     torsion ( -1.179,   1.820,   2.330)  ( -1.179,   1.820,   2.331)  ( 0.00,  0.00,  0.00)
174:     vdw     (  7.889,  -0.236,   2.137)  (  7.889,  -0.236,   2.137)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       (-22.289, -13.877,  21.831)  (-22.285, -13.872,  21.858)  ( 0.02,  0.03,  0.12)
174:     bond    ( -0.454,   2.644,  18.216)  ( -0.454,   2.645,  18.243)  ( 0.00,  0.02,  0.15)
174:     angle   (-31.660, -11.577,   0.890)  (-31.657, -11.573,   0.890)  ( 0.01,  0.03,  0.01)
174:     torsion (  0.274,  -3.709,   0.545)  (  0.274,  -3.709,   0.545)  ( 0.00,  0.00,  0.00)
174:     vdw     (  9.552,  -1.235,   2.180)  (  9.552,  -1.235,   2.180)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4civ_48p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ciw_xh2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cix_w4n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ciy_ndy.sdf
176:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
176:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
176:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
176:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
176:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
176:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
176: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
176:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
176:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
176:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
176:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
176:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
176: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
176:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
176:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
176:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
176:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
176:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
176:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
176:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
176:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
176:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
176:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
176:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
176:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
176:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
176: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
176:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
176:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
176:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cj3_e4f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cj4_s3g.sdf
175:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
175:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
175:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
175:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
175:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
175:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
175:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
175:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
175:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
175:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
175:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
175:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
175:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cj5_4vw.sdf
176:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
176:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
176:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
176:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
176:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
176:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
176:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
176:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
176:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
176:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
176:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
176: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
176:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
176:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
176:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
176:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cje_q31.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cjf_rvn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cjk_h39.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cjl_9pa.sdf
176:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
176:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
176:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
176:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
176:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
176:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
176:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
176:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 6 # gradients 
176: ok 7 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fizgok.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cjp_4d2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cjq_vxo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cjr_fym.sdf
176:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
176:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
176:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
176:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
176:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
176:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
176:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
176:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
176:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
176:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
176:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
176:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
176:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
176:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
176:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
176:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
176:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
176:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
176:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
176:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
176:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
176:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
176:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
176:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
176:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
176:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
176:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
176:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
176:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
176:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
176:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
176:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cjs_l0y.sdf
176:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
176:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
176:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
176:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
176:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
176:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
176:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
176:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
176:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
176:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
176:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
176:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
176:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
176:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
176:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
176:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
176:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
176:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
176:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
176:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
176:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
176:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
176:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
176:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
176: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
176:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
176:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
176:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
176:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
176:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
176: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cju_jns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ck3_k1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ck8_lfd.sdf
176:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
176:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
176:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
176:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
176: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
176:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
176:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
176:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
176: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
176:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
176:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
176:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
176:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
176:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
176:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
176:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
176:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
176:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
176:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
176:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
176:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
176:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
176:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
176:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ck9_lft.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cka_lfs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ckr_di1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cku_p2f.sdf
176:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
176:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
176:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
176:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
176:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
176:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
176:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
176:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
176:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
176:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 8 # gradients 
176: ok 9 # energy 
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cky_nd3.sdf
176:                                                                                         
176:   VALIDATE GRADIENTS : semdix.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cl0_9py.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cl6_7sb.sdf
176:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
176:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
176:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
176:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
176:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
176:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
176:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
176:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
176:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
176:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
176:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
176:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
176:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
176:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
176:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
176:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
176:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
176:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
176:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
176:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
176:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
176:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
176:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
176:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
176:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
176:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
176:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4clb_83t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4clz_4ds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cmo_ypw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cmt_gwh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cmu_iv7.sdf
176:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
176:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
176:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
176:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
176:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
176:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
176:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
176:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
176:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
176:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
176:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
176:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
176:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
176:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
176:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
176:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
176:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
176:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
176:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
176:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
176:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
176:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
176:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
176:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
175:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
175:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
175:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
175:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
175:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
175:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
175:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
175:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
175:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
175:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
175:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
175:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
175:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
175:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cn1_m1f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cn6_n9s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cnh_3u9.sdf
176:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
176:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
176:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
176:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
176:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
176:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
176:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
176:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
176:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
176:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
176:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
176:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
176:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cnp_9c4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cod_kv1.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 61       (-39.791, -21.672,   6.376)  (-39.767, -21.666,   6.382)  ( 0.06,  0.02,  0.11)
174:     bond    (-38.512,  -9.274, -15.814)  (-38.489,  -9.273, -15.810)  ( 0.06,  0.01,  0.02)
174:     angle   ( -4.902, -31.814,  30.587)  ( -4.902, -31.810,  30.590)  ( 0.02,  0.01,  0.01)
174:     torsion ( -2.164,   5.162,   2.239)  ( -2.164,   5.162,   2.239)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.787,  14.254, -10.637)  (  5.788,  14.254, -10.637)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 62       (-51.597,  18.758,  -5.963)  (-51.591,  18.785,  -5.959)  ( 0.01,  0.15,  0.06)
174:     bond    (  3.501,  40.620,  -1.367)  (  3.501,  40.647,  -1.367)  ( 0.00,  0.07,  0.01)
174:     angle   ( 23.290,  -0.699,  38.845)  ( 23.294,  -0.699,  38.848)  ( 0.02,  0.00,  0.01)
174:     torsion (  6.343,  -0.580,  -1.005)  (  6.344,  -0.580,  -1.005)  ( 0.00,  0.00,  0.00)
174:     vdw     (-84.732, -20.583, -42.435)  (-84.729, -20.583, -42.435)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 63       ( 18.779, -14.958,  -2.598)  ( 18.794, -14.951,  -2.585)  ( 0.08,  0.05,  0.48)
174:     bond    ( 12.071,  -6.940, -10.740)  ( 12.084,  -6.936, -10.729)  ( 0.11,  0.06,  0.10)
174:     angle   (  9.842,  -9.251,  17.064)  (  9.844,  -9.248,  17.066)  ( 0.02,  0.03,  0.01)
174:     torsion ( -3.735,  -4.539,  -1.272)  ( -3.735,  -4.539,  -1.272)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.601,   5.772,  -7.650)  (  0.601,   5.772,  -7.649)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 64       ( -7.737, -18.679,  -1.345)  ( -7.710, -18.674,  -1.340)  ( 0.34,  0.03,  0.41)
174:     bond    (-31.885,  -5.119,   7.694)  (-31.859,  -5.118,   7.696)  ( 0.08,  0.01,  0.02)
174:     angle   ( -7.715, -28.179, -50.681)  ( -7.715, -28.175, -50.678)  ( 0.00,  0.01,  0.01)
174:     torsion (  1.280,  -4.540,   2.282)  (  1.280,  -4.540,   2.282)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 30.583,  19.159,  39.360)  ( 30.583,  19.159,  39.361)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 65       ( 40.384,  -7.087,  -1.162)  ( 40.395,  -7.079,  -1.145)  ( 0.03,  0.12,  1.44)
174:     bond    ( 18.276, -13.631,  25.487)  ( 18.284, -13.627,  25.503)  ( 0.04,  0.03,  0.06)
174:     angle   ( 33.298, -22.150, -35.710)  ( 33.301, -22.147, -35.709)  ( 0.01,  0.01,  0.00)
174:     torsion (  3.662,   3.773,  -0.609)  (  3.662,   3.773,  -0.609)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.851,  24.922,   9.670)  (-14.851,  24.922,   9.670)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 66       (-18.935,  17.431,  -6.491)  (-18.930,  17.458,  -6.487)  ( 0.03,  0.16,  0.06)
174:     bond    (  5.481,  39.355,   1.074)  (  5.482,  39.383,   1.074)  ( 0.01,  0.07,  0.02)
174:     angle   ( 25.175,  -2.445, -38.854)  ( 25.178,  -2.445, -38.851)  ( 0.01,  0.00,  0.01)
174:     torsion ( -4.466,   0.662,  -1.498)  ( -4.466,   0.662,  -1.498)  ( 0.00,  0.00,  0.00)
174:     vdw     (-45.125, -20.141,  32.788)  (-45.124, -20.141,  32.788)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 67       ( -2.632,  24.315,  23.802)  ( -2.628,  24.342,  23.805)  ( 0.13,  0.11,  0.02)
174:     bond    ( -2.205,  21.491,  -0.922)  ( -2.204,  21.518,  -0.922)  ( 0.01,  0.13,  0.00)
174:     angle   (  0.322,   1.460,  33.287)  (  0.325,   1.460,  33.291)  ( 0.09,  0.00,  0.01)
174:     torsion (  1.351,  -0.167,  -7.120)  (  1.351,  -0.167,  -7.120)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -2.100,   1.530,  -1.443)  ( -2.100,   1.530,  -1.443)  ( 0.01,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 68       (  8.621, -30.526,  -4.348)  (  8.627, -30.520,  -4.325)  ( 0.06,  0.02,  0.54)
174:     bond    (  3.678,  -3.681, -11.381)  (  3.681,  -3.678, -11.358)  ( 0.06,  0.06,  0.20)
176:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
176:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
176:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
176:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
176:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
176:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
176:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
176:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
176:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4coh_t9h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cp3_rbt.sdf
176:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
176:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
176:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
176:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
176:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
176:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
176:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
176:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
176:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
176:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
176:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
176:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 10 # gradients 
176: ok 11 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : surdox02.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cp5_eoi.sdf
176:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
176:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
176:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
176:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
176:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
176:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
176:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.031,  -0.005,  -0.000)  ( -0.036,   0.000,   0.210)  ( 0.02,  0.00,  0.01)
176:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
176:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
176:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
176:     torsion (  0.950,   0.026,  -1.404)  (  0.950,   0.026,  -1.404)  ( 0.01,  0.00,  0.03)
176:     oop     (  0.109,   0.015,  -1.009)  (  0.099,   0.012,  -0.800)  ( 0.10,  0.00, 20.76)
176:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  3       (  0.030,  -0.079,  -0.004)  ( -0.460,  -0.155,   0.812)  ( 1.47,  0.60,  0.36)
176:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
176:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
176:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.285,   0.335,   9.829)  ( -4.285,   0.335,   9.829)  ( 0.00,  0.00,  0.00)
176:     oop     (  3.601,   1.017,  -6.100)  (  3.104,   0.933,  -5.286)  (13.80,  8.25, 13.34)
176:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
176:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
176:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
176:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
176:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
176:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
176:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
176:  5       (  0.011,   0.000,   0.007)  (  0.314,   0.017,  -0.395)  ( 0.34,  0.00,  0.28)
176:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
176:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
176:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.685,  -0.730,  -3.574)  (  2.685,  -0.730,  -3.574)  ( 0.00,  0.00,  0.00)
176:     oop     ( -2.057,  -0.336,   2.792)  ( -1.758,  -0.320,   2.387)  (14.55,  0.54, 14.48)
176:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.032,   0.038,  -0.003)  (  0.117,   0.131,  -0.383)  ( 0.49,  0.35,  0.12)
176:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
176:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
176:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cpe_luv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cpf_lh3.sdf
176:     torsion (  0.960,   0.517,  -5.145)  (  0.960,   0.517,  -5.145)  ( 0.00,  0.00,  0.00)
176:     oop     ( -1.271,  -0.767,   3.004)  ( -1.123,  -0.679,   2.624)  (11.64,  6.80, 12.66)
176:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
176:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
176:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
176:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
176:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.030,   0.041,  -0.031)  ( -0.521,   0.105,   0.787)  ( 1.48,  0.26,  2.57)
176:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
176:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
176:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.280,  -0.668,   9.814)  ( -4.280,  -0.668,   9.814)  ( 0.00,  0.00,  0.00)
176:     oop     (  3.611,  -0.800,  -6.126)  (  3.114,  -0.745,  -5.311)  (13.78,  4.38, 13.32)
176:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
176:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
176:  9       (  0.044,  -0.007,   0.032)  (  0.346,  -0.007,  -0.371)  ( 1.32,  0.00,  1.28)
176:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
176:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
176:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.677,   0.863,  -3.551)  (  2.677,   0.863,  -3.551)  ( 0.00,  0.00,  0.00)
176:     oop     ( -2.060,   0.232,   2.800)  ( -1.761,   0.231,   2.396)  (14.53,  0.03, 14.45)
176:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.012,  -0.017,  -0.002)  (  0.139,  -0.089,  -0.384)  ( 0.17,  0.12,  0.07)
176:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
176:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
176:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.965,  -0.356,  -5.158)  (  0.965,  -0.356,  -5.158)  ( 0.00,  0.00,  0.00)
176:     oop     ( -1.278,   0.666,   3.025)  ( -1.130,   0.590,   2.642)  (11.64,  5.06, 12.65)
176:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
176: ok 12 # gradients 
176: ok 13 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : valwou.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cpi_lh4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cpp_adm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cq5_tca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cq6_t25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cq7_whw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cq8_jbw.sdf
176:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
176:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
176:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
176:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
176:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
176:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
176:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
176:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
176:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
176:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
176:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
176:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
176:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
176:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
176:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
176:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
176:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
176:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
176:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
176:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
176:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
176:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
176:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
176:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
176:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cq9_xbl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cqa_id6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cqe_cqe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cqg_ot5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cqj_efa.sdf
176:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
176:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
176:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
176:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
176:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
176:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
176:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
176:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
176:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
176:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
176:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
176:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
176: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
176:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
176:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
176:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
176: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
176:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
176:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
176:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
176:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
176:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
176: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
175:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
175:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
175:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
175:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
175:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
175:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
175:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
175:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
175:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
175:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
175:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
175:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
175:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
175:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
175:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cqn_ila.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cr5_0tu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cr9_otw.sdf
176:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
176:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
176:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
176:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
176:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
176:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
176:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
176:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
176:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
176:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
176:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
176:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
176:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
176:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
176: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
176:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
176:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
176:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
176:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
176:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
176:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
176:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
176:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
176:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
176: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
176:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
176:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
176:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
176:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cra_xj8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4crb_7p0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4crc_otm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4crd_otj.sdf
176:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
176:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
176:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
176:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
176:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
176:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
176:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
176:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
176:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
176:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
176:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
176:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
176:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
176:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
176:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
176:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cre_mvn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4crg_j4x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4crl_c1i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cs4_axz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4csj_nn7.sdf
174:     angle   ( 10.007, -25.098,  11.370)  ( 10.010, -25.094,  11.370)  ( 0.03,  0.01,  0.00)
174:     torsion (  1.105, -10.123,   3.636)  (  1.105, -10.123,   3.636)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.169,   8.376,  -7.973)  ( -6.168,   8.376,  -7.973)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 69       ( 19.868,  12.686,  10.166)  ( 19.877,  12.695,  10.185)  ( 0.04,  0.07,  0.19)
174:     bond    (-17.162,  19.982,  30.757)  (-17.157,  19.989,  30.773)  ( 0.03,  0.03,  0.05)
174:     angle   ( 23.074, -23.287,  27.989)  ( 23.077, -23.285,  27.991)  ( 0.01,  0.01,  0.01)
174:     torsion ( 11.543,  -4.396,   9.291)  ( 11.543,  -4.396,   9.291)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.412,  20.386, -57.871)  (  2.413,  20.387, -57.870)  ( 0.06,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 70       (  3.856,  -5.617, -23.123)  (  3.868,  -5.613, -23.104)  ( 0.31,  0.08,  0.08)
174:     bond    ( -7.666,   2.356, -10.475)  ( -7.657,   2.357, -10.457)  ( 0.12,  0.04,  0.17)
174:     angle   ( 15.864, -23.495, -16.914)  ( 15.866, -23.492, -16.913)  ( 0.01,  0.01,  0.01)
174:     torsion ( -7.048,   5.024,   6.293)  ( -7.048,   5.024,   6.293)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.706,  10.498,  -2.027)  (  2.707,  10.498,  -2.027)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 71       ( -2.147, -23.094, -11.990)  ( -2.124, -23.086, -11.983)  ( 1.06,  0.03,  0.05)
174:     bond    (-18.976,  -7.679,   6.984)  (-18.955,  -7.675,   6.987)  ( 0.11,  0.04,  0.04)
174:     angle   ( -6.130, -29.366, -48.884)  ( -6.129, -29.363, -48.881)  ( 0.02,  0.01,  0.01)
174:     torsion (  0.625,  -0.949,   0.653)  (  0.625,  -0.949,   0.653)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 22.334,  14.900,  29.256)  ( 22.334,  14.900,  29.257)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 72       ( 20.627,  -9.034,   0.423)  ( 20.642,  -9.030,   0.439)  ( 0.07,  0.05,  0.69)
174:     bond    ( 18.783,  -5.397,  20.943)  ( 18.795,  -5.396,  20.958)  ( 0.06,  0.02,  0.07)
174:     angle   ( 36.607,  -6.618, -34.536)  ( 36.609,  -6.615, -34.535)  ( 0.01,  0.06,  0.00)
174:     torsion (  1.051,   1.742,  -0.494)  (  1.051,   1.742,  -0.494)  ( 0.00,  0.01,  0.00)
174:     vdw     (-35.814,   1.239,  14.510)  (-35.813,   1.239,  14.510)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 73       (-13.401,  18.857,  -7.984)  (-13.397,  18.885,  -7.980)  ( 0.04,  0.15,  0.05)
174:     bond    ( -4.324,  40.254,  -3.034)  ( -4.324,  40.282,  -3.034)  ( 0.00,  0.07,  0.00)
174:     angle   ( 25.583,  -0.124, -38.116)  ( 25.587,  -0.124, -38.112)  ( 0.01,  0.00,  0.01)
174:     torsion ( -1.041,  -0.132,  -0.271)  ( -1.040,  -0.132,  -0.271)  ( 0.02,  0.00,  0.00)
174:     vdw     (-33.620, -21.141,  33.436)  (-33.619, -21.141,  33.437)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 74       ( 37.644,  95.477, 158.215)  ( 37.658,  95.483, 158.242)  ( 0.04,  0.01,  0.02)
174:     bond    ( 96.412,  66.499, 143.448)  ( 96.424,  66.506, 143.473)  ( 0.01,  0.01,  0.02)
174:     angle   (-10.556,  -4.320,   9.095)  (-10.555,  -4.320,   9.096)  ( 0.02,  0.01,  0.01)
174:     torsion (-20.678,  40.377,  -4.819)  (-20.678,  40.377,  -4.819)  ( 0.00,  0.00,  0.00)
174:     vdw     (-27.549,  -7.301,  10.524)  (-27.548,  -7.301,  10.524)  ( 0.00,  0.00,  0.00)
174:     electro (  0.016,   0.222,  -0.032)  (  0.016,   0.222,  -0.032)  ( 0.00,  0.00,  0.00)
174: ok 22 # gradients 
174: ok 23 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (1291.687, -969.396, 620.852)  (1291.781, -969.306, 620.868)  ( 0.01,  0.01,  0.00)
174:     bond    (1151.916, -865.000, 587.078)  (1151.998, -864.921, 587.090)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4css_cwx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cst_cwk.sdf
176:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
176:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
176:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
176:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
176:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
176:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
176:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
176:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
176:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
176:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
176:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ct1_31s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ctb_kvc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ctc_j99.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ctp_2ik.sdf
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
176:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
176:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
176:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
176:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
176:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
176:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 14 # gradients 
176: ok 15 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : vuwxug.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ctr_s20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ctu_s42.sdf
176:  1       (  0.017,  -0.032,  -0.004)  (  0.360,   0.161,  -0.046)  ( 0.59,  0.62,  0.02)
176:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
176:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
176:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
176:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
176:     oop     ( -2.201,  -1.235,   0.352)  ( -1.859,  -1.045,   0.309)  (15.54, 15.42,  1.50)
176:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
176:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
176:  2       (  0.013,  -0.006,  -0.016)  (  0.100,   0.046,   0.007)  ( 0.12,  0.03,  0.04)
176:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
176:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
176:     torsion (  5.151,   1.716,  -0.095)  (  5.151,   1.716,  -0.095)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.825,  -0.292,  -0.005)  ( -0.739,  -0.246,   0.007)  ( 7.08,  1.34,  0.01)
176:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.030,   0.042,  -0.002)  ( -1.051,  -0.373,   0.176)  ( 3.08,  1.73,  0.04)
176:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
176:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
176:     torsion (-13.562,  -4.422,   0.317)  (-13.562,  -4.422,   0.317)  ( 0.00,  0.00,  0.00)
176:     oop     (  7.262,   2.827,  -1.384)  (  6.240,   2.406,  -1.213)  (14.07, 14.88, 12.33)
176:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
176:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.008,   0.003,  -0.019)  (  0.107,   0.035,  -0.019)  ( 0.09,  0.01,  0.00)
176:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
176:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
176:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.574,  -0.412,   0.108)  ( -1.574,  -0.412,   0.108)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
176:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
176:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
176:  5       (  0.003,  -0.006,   0.005)  (  0.404,   0.128,  -0.118)  ( 0.12,  0.08,  0.06)
176:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
176:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
176:     torsion (  4.454,   0.421,  -0.829)  (  4.455,   0.421,  -0.829)  ( 0.00,  0.00,  0.00)
176:     oop     ( -3.071,  -0.983,   0.957)  ( -2.670,  -0.852,   0.830)  (13.05, 12.95, 12.12)
176:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
176:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.018,  -0.005,  -0.006)  ( -0.100,  -0.046,  -0.007)  ( 0.15,  0.02,  0.00)
176:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
176:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
176:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ctv_7s7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cty_s5d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ctz_s7k.sdf
176:     torsion ( -5.151,  -1.716,   0.095)  ( -5.151,  -1.716,   0.095)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.822,   0.291,   0.005)  (  0.739,   0.246,  -0.007)  ( 6.84,  1.33,  0.01)
176:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
176:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
176:  7       (  0.027,  -0.054,  -0.013)  (  1.051,   0.373,  -0.176)  ( 2.79,  2.29,  0.21)
176:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
176:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
176:     torsion ( 13.561,   4.422,  -0.317)  ( 13.562,   4.422,  -0.317)  ( 0.00,  0.00,  0.00)
176:     oop     ( -7.262,  -2.827,   1.384)  ( -6.240,  -2.406,   1.213)  (14.07, 14.88, 12.33)
176:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
176:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
176:  8       (  0.007,  -0.006,   0.002)  ( -0.107,  -0.035,   0.019)  ( 0.08,  0.02,  0.00)
176:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
176:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
176:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.574,   0.412,  -0.108)  (  1.574,   0.412,  -0.108)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
176:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
176:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.019,   0.027,   0.003)  ( -0.360,  -0.161,   0.046)  ( 0.63,  0.51,  0.01)
176:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
176:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
176:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
176:     oop     (  2.201,   1.235,  -0.352)  (  1.859,   1.045,  -0.309)  (15.54, 15.42,  1.50)
176:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
176:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.004,   0.002,  -0.012)  ( -0.404,  -0.128,   0.118)  ( 0.15,  0.03,  0.16)
176:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
176:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.455,  -0.421,   0.829)  ( -4.455,  -0.421,   0.829)  ( 0.00,  0.00,  0.00)
176:     oop     (  3.071,   0.983,  -0.957)  (  2.670,   0.852,  -0.830)  (13.05, 12.95, 12.12)
176:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
176: ok 16 # gradients 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cu0_s71.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cup_zyb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cuq_5k3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cur_la7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cus_es1.sdf
173/223 Test #176: test_ffmmff94_2 ..................   Passed    0.19 sec
test 177
        Start 177: test_ffmmff94_3
177: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "3"
177: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
177: Environment variables: 
177:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
177:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
177: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cuu_y6m.sdf
174:     angle   (141.394, -102.369,  34.491)  (141.406, -102.358,  34.492)  ( 0.01,  0.01,  0.00)
174:     torsion (  1.153,  -0.854,  -0.677)  (  1.153,  -0.853,  -0.674)  ( 0.02,  0.04,  0.20)
174:     vdw     ( -2.776,  -1.173,  -0.040)  ( -2.776,  -1.173,  -0.040)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (298.204, 971.668, -229.992)  (298.273, 971.756, -229.978)  ( 0.02,  0.01,  0.01)
174:     bond    (395.657, 810.891, -170.088)  (395.712, 810.968, -170.079)  ( 0.01,  0.01,  0.01)
174:     angle   (-92.800, 152.605, -73.608)  (-92.786, 152.616, -73.606)  ( 0.02,  0.01,  0.00)
174:     torsion ( -3.841,   4.521,  15.987)  ( -3.840,   4.521,  15.990)  ( 0.01,  0.01,  0.02)
174:     vdw     ( -0.926,   3.157,  -2.084)  ( -0.926,   3.158,  -2.084)  ( 0.02,  0.00,  0.00)
174:     electro (  0.113,   0.494,  -0.199)  (  0.113,   0.494,  -0.199)  ( 0.00,  0.00,  0.00)
174:  3       (-504.679, 126.706, -65.120)  (-504.604, 126.804, -65.117)  ( 0.01,  0.08,  0.00)
174:     bond    (-438.510, -79.388, -48.304)  (-438.448, -79.301, -48.304)  ( 0.01,  0.11,  0.00)
174:     angle   (-64.271, 207.170, -14.900)  (-64.258, 207.181, -14.900)  ( 0.02,  0.01,  0.00)
174:     torsion ( -0.850,   2.083,  -2.639)  ( -0.850,   2.083,  -2.637)  ( 0.00,  0.00,  0.10)
174:     vdw     ( -0.986,  -2.347,   0.473)  ( -0.986,  -2.346,   0.473)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.063,  -0.812,   0.250)  ( -0.063,  -0.812,   0.250)  ( 0.00,  0.00,  0.00)
174:  4       ( 62.544, 529.216, -221.024)  ( 62.642, 529.276, -221.001)  ( 0.16,  0.01,  0.01)
174:     bond    ( 45.030, 519.764, -212.292)  ( 45.117, 519.814, -212.273)  ( 0.19,  0.01,  0.01)
174:     angle   ( 18.074,   9.875,  -5.510)  ( 18.085,   9.885,  -5.509)  ( 0.06,  0.10,  0.03)
174:     torsion (  1.294,  -0.313,  -3.148)  (  1.294,  -0.312,  -3.146)  ( 0.01,  0.02,  0.07)
174:     vdw     ( -1.854,  -0.110,  -0.074)  ( -1.854,  -0.110,  -0.074)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-22.770, 472.854, -228.617)  (-22.763, 472.872, -228.611)  ( 0.03,  0.00,  0.00)
174:     bond    ( 13.426, 481.568, -210.659)  ( 13.429, 481.586, -210.653)  ( 0.02,  0.00,  0.00)
174:     angle   (-28.169,  -1.322,  -4.817)  (-28.165,  -1.322,  -4.817)  ( 0.02,  0.00,  0.00)
174:     torsion (  2.580,  -5.856, -13.223)  (  2.580,  -5.856, -13.223)  ( 0.00,  0.00,  0.00)
174:     vdw     (-10.608,  -1.537,   0.082)  (-10.607,  -1.537,   0.082)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-928.350, -469.312,  34.230)  (-928.250, -469.218,  34.249)  ( 0.01,  0.02,  0.06)
174:     bond    (-902.944, -431.198,  18.869)  (-902.856, -431.115,  18.883)  ( 0.01,  0.02,  0.07)
174:     angle   (-25.680, -34.846,   9.724)  (-25.668, -34.835,   9.726)  ( 0.05,  0.03,  0.02)
174:     torsion ( -0.760,   1.680,   3.423)  ( -0.760,   1.680,   3.427)  ( 0.00,  0.02,  0.11)
174:     vdw     (  1.033,  -4.949,   2.213)  (  1.033,  -4.948,   2.213)  ( 0.03,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-549.758, 286.552, -158.102)  (-549.658, 286.644, -158.084)  ( 0.02,  0.03,  0.01)
174:     bond    (-597.550, 340.749, -188.434)  (-597.463, 340.828, -188.421)  ( 0.01,  0.02,  0.01)
174:     angle   ( 49.931, -59.660,  27.577)  ( 49.943, -59.648,  27.578)  ( 0.02,  0.02,  0.01)
174:     torsion ( -0.865,   0.514,   3.821)  ( -0.865,   0.514,   3.825)  ( 0.00,  0.02,  0.09)
174:     vdw     ( -1.273,   4.949,  -1.066)  ( -1.273,   4.949,  -1.066)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-34.667,  32.173,  -9.961)  (-34.567,  32.238,  -9.950)  ( 0.29,  0.20,  0.12)
174:     bond    (-46.132, -26.291,   2.900)  (-46.046, -26.238,   2.907)  ( 0.19,  0.20,  0.24)
174:     angle   (  9.004,  61.588, -19.522)  (  9.017,  61.600, -19.521)  ( 0.14,  0.02,  0.01)
174:     torsion ( -0.650,   1.553,   4.817)  ( -0.650,   1.553,   4.820)  ( 0.00,  0.02,  0.06)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cuz_aew.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cv2_pt6.sdf
175: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
175:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
175:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
175:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
175:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
175:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
175:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
175:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
175:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
175:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
175:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
175:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
175:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
175:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
177: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cv3_vt4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cv8_3d7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cv9_w2k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cva_wbi.sdf
174:     vdw     (  2.823,  -4.536,   1.777)  (  2.823,  -4.536,   1.777)  ( 0.00,  0.00,  0.00)
174:     electro (  0.289,  -0.142,   0.068)  (  0.289,  -0.142,   0.068)  ( 0.00,  0.00,  0.00)
174:  9       (334.527, 813.316, -260.363)  (334.621, 813.379, -260.342)  ( 0.03,  0.01,  0.01)
174:     bond    (341.270, 863.401, -379.423)  (341.355, 863.451, -379.407)  ( 0.02,  0.01,  0.00)
174:     angle   ( -9.599, -45.337, 140.803)  ( -9.591, -45.324, 140.807)  ( 0.09,  0.03,  0.00)
174:     torsion (  3.306,  -5.368, -20.899)  (  3.306,  -5.367, -20.897)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.449,   0.620,  -0.845)  ( -0.449,   0.620,  -0.845)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       ( 50.138, -59.673,  18.059)  ( 50.240, -59.609,  18.073)  ( 0.20,  0.11,  0.08)
174:     bond    ( 48.676, -141.413,  55.636)  ( 48.765, -141.363,  55.645)  ( 0.18,  0.04,  0.02)
174:     angle   (  3.823,  83.323, -28.467)  (  3.835,  83.336, -28.465)  ( 0.32,  0.02,  0.01)
174:     torsion (  0.572,  -1.857,  -4.267)  (  0.572,  -1.856,  -4.265)  ( 0.00,  0.02,  0.07)
174:     vdw     ( -2.723,   0.223,  -4.741)  ( -2.723,   0.223,  -4.740)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.209,   0.051,  -0.103)  ( -0.209,   0.051,  -0.103)  ( 0.00,  0.00,  0.00)
174: 11       (-392.354,  12.929, -110.427)  (-392.268,  13.023, -110.411)  ( 0.02,  0.73,  0.02)
174:     bond    (-182.246, -41.558, -12.366)  (-182.180, -41.484, -12.356)  ( 0.04,  0.18,  0.09)
174:     angle   (-211.321,  57.327, -98.054)  (-211.301,  57.348, -98.050)  ( 0.01,  0.04,  0.00)
174:     torsion (  1.783,  -2.219,   2.344)  (  1.783,  -2.219,   2.347)  ( 0.00,  0.01,  0.11)
174:     vdw     ( -0.570,  -0.621,  -2.351)  ( -0.570,  -0.621,  -2.351)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-21.184, -22.404,  -4.521)  (-21.177, -22.378,  -4.516)  ( 0.03,  0.11,  0.10)
174:     bond    ( -0.630, -11.847,   4.471)  ( -0.630, -11.822,   4.474)  ( 0.01,  0.21,  0.08)
174:     angle   (-18.792,   0.237,  -2.020)  (-18.786,   0.237,  -2.020)  ( 0.03,  0.00,  0.01)
174:     torsion ( -0.802,   2.323,   6.024)  ( -0.802,   2.323,   6.025)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.842, -12.514, -13.245)  ( -0.841, -12.513, -13.245)  ( 0.07,  0.00,  0.00)
174:     electro ( -0.117,  -0.603,   0.249)  ( -0.117,  -0.603,   0.249)  ( 0.00,  0.00,  0.00)
174: 13       (209.974,  32.014,  22.390)  (210.050,  32.098,  22.401)  ( 0.04,  0.26,  0.05)
174:     bond    ( 81.425, 122.507, -29.385)  ( 81.485, 122.580, -29.377)  ( 0.07,  0.06,  0.03)
174:     angle   (130.006, -87.869,  44.052)  (130.023, -87.857,  44.053)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.675,   1.611,   4.879)  ( -0.675,   1.612,   4.882)  ( 0.00,  0.02,  0.05)
174:     vdw     ( -0.783,  -4.237,   2.844)  ( -0.783,  -4.237,   2.844)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (-10.127,  14.003,  -6.537)  (-10.121,  14.029,  -6.533)  ( 0.06,  0.19,  0.06)
174:     bond    (  0.208,  14.769,  -4.898)  (  0.208,  14.795,  -4.895)  ( 0.00,  0.18,  0.06)
174:     angle   (-19.794,  -0.500,  -2.352)  (-19.788,  -0.500,  -2.352)  ( 0.03,  0.00,  0.00)
174:     torsion (  0.019,  -0.049,  -0.149)  (  0.019,  -0.049,  -0.148)  ( 0.00,  0.00,  0.01)
174:     vdw     (  9.632,  -0.733,   1.059)  (  9.632,  -0.733,   1.059)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.192,   0.517,  -0.197)  ( -0.192,   0.517,  -0.197)  ( 0.00,  0.00,  0.00)
174: 15       (-36.479,  39.621, -17.440)  (-36.462,  39.631, -17.437)  ( 0.05,  0.02,  0.01)
174:     bond    (-39.986,  24.828, -13.708)  (-39.972,  24.834, -13.706)  ( 0.03,  0.02,  0.01)
174:     angle   ( 30.703,  43.547, -10.639)  ( 30.705,  43.551, -10.639)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.156,  -0.381,  -1.147)  (  0.156,  -0.381,  -1.146)  ( 0.00,  0.00,  0.04)
174:     vdw     (-27.352, -28.373,   8.054)  (-27.352, -28.372,   8.054)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 52.310, -52.160, 139.358)  ( 52.367, -52.107, 139.378)  ( 0.11,  0.10,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
175:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
175:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
175:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
175: ok 22 # gradients 
175: ok 23 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cw6_xds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cwd_449.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cwn_6lv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cwq_w2d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cwr_haj.sdf
175:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
175:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
175:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
175:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
175:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
175:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
175:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.091,  -0.060,  -0.056)  ( -0.090,  -0.044,  -0.030)  ( 0.01,  0.09,  0.14)
175:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
175:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
175:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
175:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
175:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
175:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
175:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
175:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
175:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
175:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
175:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
175:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
175:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
175:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
175:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
175:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
175:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
175:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
175:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
175:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
175:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
175:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
175:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
175:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
175:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
175:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
175:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
175:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cws_g3r.sdf
174:     bond    ( 68.278,  40.654,  58.158)  ( 68.324,  40.691,  58.170)  ( 0.07,  0.09,  0.02)
174:     angle   (-14.590, -95.896,  93.389)  (-14.578, -95.881,  93.396)  ( 0.08,  0.02,  0.01)
174:     torsion ( -1.966,   4.760, -13.239)  ( -1.966,   4.761, -13.238)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.587,  -1.677,   1.050)  (  0.587,  -1.677,   1.050)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (164.485, -1750.099, 359.852)  (164.514, -1750.044, 359.905)  ( 0.02,  0.00,  0.01)
174:     bond    ( 87.415, -1695.554, 508.596)  ( 87.436, -1695.507, 508.638)  ( 0.02,  0.00,  0.01)
174:     angle   ( 80.485, -54.139, -148.780)  ( 80.492, -54.130, -148.770)  ( 0.01,  0.02,  0.01)
174:     torsion (  1.700,  -7.304,   2.419)  (  1.699,  -7.304,   2.419)  ( 0.04,  0.00,  0.00)
174:     vdw     ( -5.114,   6.898,  -2.383)  ( -5.113,   6.898,  -2.383)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-28.502, -72.471,  13.320)  (-28.482, -72.459,  13.325)  ( 0.07,  0.02,  0.04)
174:     bond    ( 14.638,  -9.522,   7.122)  ( 14.656,  -9.515,   7.126)  ( 0.12,  0.08,  0.06)
174:     angle   (-45.669, -63.224,   9.506)  (-45.667, -63.221,   9.506)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.598,   0.771,   2.258)  ( -0.598,   0.771,   2.258)  ( 0.00,  0.01,  0.02)
174:     vdw     (  4.797,   1.730,  -6.454)  (  4.797,   1.731,  -6.454)  ( 0.01,  0.04,  0.00)
174:     electro ( -1.671,  -2.225,   0.889)  ( -1.671,  -2.225,   0.889)  ( 0.00,  0.00,  0.00)
174: 19       (114.823, -41.665, -42.781)  (114.872, -41.615, -42.731)  ( 0.04,  0.12,  0.12)
174:     bond    ( 46.006, -62.726, -75.264)  ( 46.042, -62.686, -75.226)  ( 0.08,  0.06,  0.05)
174:     angle   ( 71.528,  17.445,  24.719)  ( 71.541,  17.454,  24.730)  ( 0.02,  0.05,  0.04)
174:     torsion ( -0.887,  -0.092,   4.539)  ( -0.886,  -0.091,   4.539)  ( 0.02,  0.00,  0.01)
174:     vdw     ( -1.826,   3.708,   3.226)  ( -1.825,   3.709,   3.226)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (  0.359,  94.777,   7.548)  (  0.409,  94.829,   7.594)  ( 1.80,  0.06,  0.61)
174:     bond    (-39.306,  77.507,  -9.832)  (-39.267,  77.545,  -9.795)  ( 0.10,  0.05,  0.38)
174:     angle   ( 29.541,  14.158,  21.655)  ( 29.551,  14.172,  21.664)  ( 0.03,  0.10,  0.04)
174:     torsion (  0.559,  -2.282,   2.657)  (  0.560,  -2.282,   2.658)  ( 0.01,  0.02,  0.02)
174:     vdw     (  9.565,   5.394,  -6.932)  (  9.566,   5.394,  -6.932)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (-15.626,   9.796,  -8.493)  (-15.606,   9.807,  -8.489)  ( 0.13,  0.11,  0.05)
174:     bond    (-18.997,  12.730,  -1.669)  (-18.978,  12.738,  -1.669)  ( 0.10,  0.07,  0.00)
174:     angle   ( -9.429, -17.517, -26.477)  ( -9.428, -17.515, -26.473)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.444,   0.852,   1.457)  (  0.444,   0.852,   1.457)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 12.356,  13.731,  18.195)  ( 12.357,  13.731,  18.196)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       ( 16.790, -14.975,   7.995)  ( 16.794, -14.970,   8.021)  ( 0.02,  0.04,  0.32)
174:     bond    (  0.839,  -3.049,   9.710)  (  0.839,  -3.047,   9.735)  ( 0.01,  0.08,  0.26)
174:     angle   ( 17.920, -10.218,  -4.742)  ( 17.923, -10.215,  -4.741)  ( 0.02,  0.03,  0.01)
174:     torsion (  1.554,  -3.125,  -1.112)  (  1.554,  -3.125,  -1.112)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -3.522,   1.417,   4.139)  ( -3.522,   1.417,   4.139)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( -3.383,  26.547,  -7.292)  ( -3.331,  26.599,  -7.247)  ( 1.52,  0.19,  0.62)
174:     bond    ( -5.729, -62.233,   5.658)  ( -5.688, -62.197,   5.694)  ( 0.72,  0.06,  0.64)
174:     angle   (  3.696,  79.918, -15.987)  (  3.706,  79.932, -15.979)  ( 0.27,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cwt_ik9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cwv_hw8.sdf
175:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
175:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
175:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
175:  7       (  0.011,   0.004,  -0.004)  (  0.016,   0.016,   0.020)  ( 0.01,  0.00,  0.01)
175:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
175:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
175:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
175:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
175:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
175:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
175:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
175:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
175:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
175:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
175:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
175:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
175:  9       (  0.068,   0.165,   0.082)  (  0.096,   0.132,  -0.033)  ( 0.19,  0.54,  0.94)
175:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
175:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
175:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
175:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
175:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
175:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
175:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.080,  -0.040,  -0.026)  ( -0.075,  -0.026,  -0.009)  ( 0.04,  0.06,  0.05)
175:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
175:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
175:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
175:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
175:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
175: 11       (  0.070,  -0.162,  -0.073)  (  0.027,  -0.066,   0.009)  ( 0.31,  1.57,  0.61)
175:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
175:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
175:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
175:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
175:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
175:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
175: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cww_hw9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cxu_62y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cxw_6mk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cxx_640.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cxy_dgr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cyg_rrv.sdf
175:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
175:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
175:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
175:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.131,   0.117,   0.103)  ( -0.105,   0.076,  -0.037)  ( 0.34,  0.47,  1.45)
175:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
175:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
175:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
175:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
175:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
175: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
175:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
175: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
175:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
175:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
175:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
175:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.036,   0.120,  -0.185)  (  0.001,   0.011,   0.028)  ( 0.13,  1.30,  3.96)
175:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
175:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
175:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
175:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
175:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
175:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.042,  -0.053,   0.059)  ( -0.045,  -0.033,   0.101)  ( 0.01,  0.11,  0.25)
175:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
175:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
175:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
175:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
174:     torsion (  0.547,   3.703,   0.318)  (  0.547,   3.703,   0.319)  ( 0.01,  0.01,  0.02)
174:     vdw     ( -1.897,   5.160,   2.720)  ( -1.897,   5.160,   2.720)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       ( -8.564, -14.110, -19.019)  ( -8.561, -14.092, -19.005)  ( 0.04,  0.12,  0.08)
174:     bond    ( -0.478, -14.334, -12.772)  ( -0.478, -14.319, -12.760)  ( 0.00,  0.11,  0.10)
174:     angle   (-14.163,   1.214,  -0.836)  (-14.161,   1.216,  -0.834)  ( 0.02,  0.13,  0.17)
174:     torsion (  1.364,  -0.748,   0.788)  (  1.364,  -0.748,   0.788)  ( 0.01,  0.01,  0.01)
174:     vdw     (  4.712,  -0.241,  -6.199)  (  4.712,  -0.241,  -6.199)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( 15.923,   6.709, -14.172)  ( 15.972,   6.759, -14.123)  ( 0.30,  0.75,  0.35)
174:     bond    (-43.493,  18.715,  43.123)  (-43.457,  18.755,  43.161)  ( 0.08,  0.21,  0.09)
174:     angle   ( 52.144,  -7.332, -54.175)  ( 52.156,  -7.322, -54.164)  ( 0.02,  0.13,  0.02)
174:     torsion (  3.258,  -0.518,  -1.719)  (  3.259,  -0.518,  -1.718)  ( 0.01,  0.01,  0.03)
174:     vdw     (  4.014,  -4.156,  -1.402)  (  4.014,  -4.156,  -1.402)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (  8.967,  13.422,  21.262)  (  8.971,  13.430,  21.286)  ( 0.05,  0.06,  0.11)
174:     bond    (  2.558,  -5.615,  13.404)  (  2.558,  -5.611,  13.427)  ( 0.03,  0.07,  0.17)
174:     angle   (-11.664,   4.967,   4.298)  (-11.661,   4.970,   4.299)  ( 0.02,  0.06,  0.02)
174:     torsion ( -1.780,   1.821,   1.100)  ( -1.780,   1.821,   1.100)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 19.854,  12.250,   2.460)  ( 19.854,  12.250,   2.460)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-323.145, -271.799, 112.451)  (-323.099, -271.749, 112.477)  ( 0.01,  0.02,  0.02)
174:     bond    (-277.510, -232.743, 103.218)  (-277.472, -232.705, 103.231)  ( 0.01,  0.02,  0.01)
174:     angle   (-42.969, -37.089,   8.185)  (-42.962, -37.077,   8.196)  ( 0.02,  0.03,  0.14)
174:     torsion ( -3.196,  -2.651,   1.412)  ( -3.196,  -2.651,   1.412)  ( 0.00,  0.01,  0.03)
174:     vdw     (  0.465,   0.546,  -0.326)  (  0.465,   0.546,  -0.326)  ( 0.00,  0.00,  0.00)
174:     electro (  0.066,   0.137,  -0.038)  (  0.066,   0.137,  -0.038)  ( 0.00,  0.00,  0.00)
174: 28       ( -9.937, -12.237, -27.175)  ( -9.933, -12.229, -27.152)  ( 0.04,  0.06,  0.09)
174:     bond    ( -2.224,   5.760, -12.961)  ( -2.224,   5.765, -12.939)  ( 0.03,  0.08,  0.17)
174:     angle   ( -1.338, -21.273,  -9.248)  ( -1.335, -21.270,  -9.247)  ( 0.21,  0.01,  0.01)
174:     torsion (  0.876,  -5.005,  -2.380)  (  0.876,  -5.005,  -2.380)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -7.251,   8.281,  -2.586)  ( -7.251,   8.281,  -2.586)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       (  1.693,  12.470,  31.606)  (  1.696,  12.488,  31.620)  ( 0.18,  0.14,  0.04)
174:     bond    (  1.386,  19.430,  16.782)  (  1.386,  19.446,  16.793)  ( 0.00,  0.08,  0.07)
174:     angle   (  0.745, -13.698,  15.796)  (  0.748, -13.697,  15.798)  ( 0.22,  0.01,  0.01)
174:     torsion ( -0.853,   1.947,  -2.184)  ( -0.853,   1.947,  -2.184)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.415,   4.792,   1.212)  (  0.416,   4.792,   1.212)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( 21.804, -19.915,  15.948)  ( 21.825, -19.906,  15.952)  ( 0.10,  0.05,  0.02)
174:     bond    ( 21.630, -12.881,   1.409)  ( 21.650, -12.874,   1.409)  ( 0.09,  0.06,  0.00)
174:     angle   ( -4.510,  -5.515,  18.908)  ( -4.509,  -5.513,  18.912)  ( 0.02,  0.04,  0.02)
174:     torsion (  0.258,   0.167,  -2.434)  (  0.258,   0.167,  -2.434)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.426,  -1.686,  -1.936)  (  4.427,  -1.686,  -1.936)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4cys_sv7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d08_q2t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d09_788.sdf
175:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
175:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
175: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
175:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
175:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
175:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
175: 19       (  0.012,  -0.001,   0.074)  (  0.011,   0.052,   0.016)  ( 0.00,  0.01,  0.42)
175:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
175:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
175:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
175:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
175:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
175:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
175: 20       ( -0.013,  -0.015,   0.097)  (  0.002,   0.007,  -0.001)  ( 0.02,  0.03,  0.95)
175:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
175:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
175:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
175:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
175:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
175:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
175: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
175:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
175:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
175:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
175:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
175:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
175:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d0r_41i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d0s_9g4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d0w_vvq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d0x_953.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d17_iup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d1a_i5h.sdf
174: 31       (-24.628,   9.539, -16.258)  (-24.624,   9.545, -16.233)  ( 0.02,  0.06,  0.16)
174:     bond    ( -1.471,   4.253, -13.478)  ( -1.471,   4.256, -13.453)  ( 0.02,  0.06,  0.18)
174:     angle   (-21.315,   8.697,   5.082)  (-21.311,   8.700,   5.082)  ( 0.02,  0.03,  0.01)
174:     torsion ( -3.798,   2.727,   1.278)  ( -3.798,   2.727,   1.278)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.957,  -6.137,  -9.140)  (  1.957,  -6.137,  -9.140)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       (267.216, 221.662, -108.445)  (267.232, 221.677, -108.439)  ( 0.01,  0.01,  0.01)
174:     bond    (250.100, 215.399, -125.960)  (250.113, 215.408, -125.958)  ( 0.01,  0.00,  0.00)
174:     angle   (  2.594,   1.539,   7.794)  (  2.597,   1.544,   7.797)  ( 0.10,  0.32,  0.04)
174:     torsion (  2.306,  -0.267,   4.123)  (  2.306,  -0.267,   4.123)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 12.243,   5.078,   5.570)  ( 12.244,   5.078,   5.571)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.028,  -0.087,   0.029)  ( -0.028,  -0.087,   0.029)  ( 0.00,  0.00,  0.00)
174: 33       ( 94.657, -75.303,  31.434)  ( 94.664, -75.239,  31.434)  ( 0.01,  0.09,  0.00)
174:     bond    ( -6.861, -41.473,   0.804)  ( -6.859, -41.410,   0.804)  ( 0.02,  0.15,  0.01)
174:     angle   ( 79.707, -13.015,   9.723)  ( 79.711, -13.015,   9.723)  ( 0.01,  0.00,  0.00)
174:     torsion ( -2.073,   0.690,  17.856)  ( -2.073,   0.690,  17.856)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 26.743, -24.254,   3.560)  ( 26.743, -24.253,   3.560)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.859,   2.749,  -0.509)  ( -2.859,   2.749,  -0.509)  ( 0.00,  0.00,  0.00)
174: 34       (-162.925, -385.483,   0.508)  (-162.878, -385.447,   0.513)  ( 0.03,  0.01,  0.25)
174:     bond    (-118.840, -234.811,   0.749)  (-118.797, -234.783,   0.751)  ( 0.04,  0.01,  0.17)
174:     angle   (-31.194, -139.586,   3.796)  (-31.192, -139.579,   3.796)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.858,  -0.272,  -6.868)  (  0.858,  -0.272,  -6.867)  ( 0.00,  0.00,  0.03)
174:     vdw     (-15.468, -14.017,   4.082)  (-15.468, -14.017,   4.082)  ( 0.00,  0.00,  0.00)
174:     electro (  1.719,   3.204,  -1.249)  (  1.719,   3.204,  -1.249)  ( 0.00,  0.00,  0.00)
174: 35       (142.773, 236.088,  -1.496)  (142.802, 236.107,  -1.493)  ( 0.02,  0.01,  0.17)
174:     bond    (206.434, 163.892,  13.017)  (206.460, 163.909,  13.018)  ( 0.01,  0.01,  0.01)
174:     angle   (-39.945,  50.897,  -7.365)  (-39.944,  50.898,  -7.365)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.431,  -0.230,  -3.930)  (  0.431,  -0.230,  -3.929)  ( 0.00,  0.00,  0.03)
174:     vdw     (-27.097,  24.813,  -4.027)  (-27.097,  24.813,  -4.027)  ( 0.00,  0.00,  0.00)
174:     electro (  2.951,  -3.283,   0.810)  (  2.951,  -3.283,   0.810)  ( 0.00,  0.00,  0.00)
174: 36       (-348.144,  45.726, -15.226)  (-348.081,  45.755, -15.186)  ( 0.02,  0.06,  0.26)
174:     bond    (-239.050,  39.747, -32.741)  (-238.998,  39.769, -32.711)  ( 0.02,  0.06,  0.09)
174:     angle   (-98.891,  -1.257,  19.357)  (-98.879,  -1.249,  19.367)  ( 0.01,  0.59,  0.05)
174:     torsion (-12.409,   2.698,  -2.484)  (-12.409,   2.697,  -2.484)  ( 0.00,  0.03,  0.02)
174:     vdw     (  2.205,   4.537,   0.642)  (  2.205,   4.537,   0.642)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       (260.970, 137.842, 191.207)  (261.009, 137.882, 191.260)  ( 0.02,  0.03,  0.03)
174:     bond    (191.217, 106.275, 118.659)  (191.249, 106.307, 118.700)  ( 0.02,  0.03,  0.03)
174:     angle   ( 64.540,  22.288,  66.066)  ( 64.548,  22.296,  66.078)  ( 0.01,  0.04,  0.02)
174:     torsion (  9.181,   7.136,   5.651)  (  9.180,   7.135,   5.651)  ( 0.01,  0.01,  0.00)
174:     vdw     ( -3.968,   2.143,   0.831)  ( -3.968,   2.143,   0.831)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       ( 16.136,  59.317, -86.231)  ( 16.143,  59.328, -86.216)  ( 0.04,  0.02,  0.02)
174:     bond    (-31.265,  54.954, -64.675)  (-31.262,  54.964, -64.661)  ( 0.01,  0.02,  0.02)
175:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
175:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
175:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
175:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
175: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
175:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
175:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
175:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
175:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
175:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
175:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
175:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
175:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
175:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
175:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
175:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
175:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
175:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
175: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
175:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d1s_bjg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d2p_6z7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d2s_dyk.sdf
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
175:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
175:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
175:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
175:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
175:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
175:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
175:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
175:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
175:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
175:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
175: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
175:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
175:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
175:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d2t_3i7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d2v_45r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d2w_nf5.sdf
174:     angle   ( 44.812,   3.736, -18.493)  ( 44.817,   3.737, -18.492)  ( 0.01,  0.02,  0.01)
174:     torsion (  6.391,  -0.139,  -3.207)  (  6.390,  -0.139,  -3.208)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.801,   0.766,   0.144)  ( -3.801,   0.766,   0.144)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-24.158, -54.978,  89.296)  (-24.143, -54.974,  89.310)  ( 0.06,  0.01,  0.02)
174:     bond    (-61.767, -23.258,  61.775)  (-61.754, -23.257,  61.787)  ( 0.02,  0.01,  0.02)
174:     angle   ( 34.251, -33.220,  21.730)  ( 34.254, -33.218,  21.732)  ( 0.01,  0.01,  0.01)
174:     torsion (  5.676,  -2.819,   4.611)  (  5.675,  -2.819,   4.611)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.318,   4.320,   1.179)  ( -2.318,   4.320,   1.179)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 40       ( 26.973,  60.878, -82.459)  ( 26.982,  60.894, -82.450)  ( 0.03,  0.03,  0.01)
174:     bond    ( 49.149,  67.374, -37.914)  ( 49.157,  67.388, -37.910)  ( 0.02,  0.02,  0.01)
174:     angle   (-22.261,  -6.635, -40.663)  (-22.260,  -6.635, -40.658)  ( 0.01,  0.01,  0.01)
174:     torsion ( -2.626,  -1.535,  -6.134)  ( -2.626,  -1.535,  -6.134)  ( 0.01,  0.01,  0.00)
174:     vdw     (  2.712,   1.675,   2.252)  (  2.712,   1.675,   2.252)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       (-17.184, -55.174,  88.068)  (-17.181, -55.171,  88.094)  ( 0.02,  0.01,  0.03)
174:     bond    ( 16.566, -13.316,  86.606)  ( 16.566, -13.315,  86.633)  ( 0.00,  0.00,  0.03)
174:     angle   (-30.264, -36.708,   0.145)  (-30.261, -36.704,   0.145)  ( 0.01,  0.01,  0.00)
174:     torsion ( -6.068,  -5.375,   0.334)  ( -6.068,  -5.375,   0.334)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.582,   0.224,   0.982)  (  2.582,   0.224,   0.982)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       ( 11.928,  73.660, -65.040)  ( 11.931,  73.665, -65.015)  ( 0.03,  0.01,  0.04)
174:     bond    ( 19.792,   1.676, -61.552)  ( 19.794,   1.675, -61.526)  ( 0.01,  0.02,  0.04)
174:     angle   ( -6.567,  67.409,  -0.277)  ( -6.566,  67.413,  -0.277)  ( 0.01,  0.01,  0.00)
174:     torsion ( -1.571,   7.699,  -0.296)  ( -1.572,   7.699,  -0.296)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.274,  -3.123,  -2.916)  (  0.275,  -3.123,  -2.916)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 24 # gradients 
174: ok 25 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (473.590, -2725.065, -91.006)  (473.669, -2725.008, -90.997)  ( 0.02,  0.00,  0.01)
174:     bond    (570.063, -2587.592, -73.527)  (570.134, -2587.549, -73.519)  ( 0.01,  0.00,  0.01)
174:     angle   (-97.632, -137.351, -17.200)  (-97.625, -137.337, -17.201)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.039,   0.013,  -0.294)  (  0.039,   0.013,  -0.293)  ( 0.00,  0.00,  0.05)
174:     vdw     (  1.094,  -0.150,   0.082)  (  1.094,  -0.150,   0.082)  ( 0.00,  0.00,  0.00)
174:     electro (  0.027,   0.016,  -0.067)  (  0.027,   0.016,  -0.067)  ( 0.00,  0.00,  0.00)
174:  2       (456.237, -40.002,  47.232)  (456.330, -39.924,  47.237)  ( 0.02,  0.19,  0.01)
174:     bond    (484.272, -90.146,  51.927)  (484.352, -90.080,  51.929)  ( 0.02,  0.07,  0.00)
174:     angle   (-27.516,  51.039,  -0.309)  (-27.503,  51.050,  -0.309)  ( 0.05,  0.02,  0.01)
174:     torsion (  0.507,   0.271,  -4.293)  (  0.507,   0.271,  -4.290)  ( 0.00,  0.00,  0.07)
174:     vdw     ( -1.088,  -1.174,   0.018)  ( -1.088,  -1.174,   0.018)  ( 0.01,  0.00,  0.00)
174:     electro (  0.062,   0.008,  -0.111)  (  0.062,   0.008,  -0.111)  ( 0.00,  0.00,  0.00)
174:  3       (-439.682, 272.667, -20.145)  (-439.604, 272.755, -20.140)  ( 0.02,  0.03,  0.03)
174:     bond    (-434.344, 334.129, -31.017)  (-434.277, 334.205, -31.016)  ( 0.02,  0.02,  0.00)
175:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
175:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
175:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
175: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
175:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
175:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
175:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
175: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
175:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
175:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
175:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
175:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
175:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
175: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
175:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
175:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
175:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
175:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
175:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
175: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
175:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
175: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
175:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d30_eg8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d32_7f5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d34_e2z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d37_9hl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d38_l5z.sdf
177: ok 1 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : 
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d39_olw.sdf
174:     angle   (  0.578, -64.603,  -4.985)  (  0.589, -64.592,  -4.984)  ( 0.64,  0.02,  0.03)
174:     torsion ( -1.894,  -0.881,  16.709)  ( -1.894,  -0.881,  16.711)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.022,   4.022,  -0.852)  ( -4.022,   4.022,  -0.852)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-2540.305, -769.727, -316.047)  (-2540.258, -769.642, -316.037)  ( 0.00,  0.01,  0.00)
174:     bond    (-2564.733, -676.690, -321.730)  (-2564.698, -676.613, -321.723)  ( 0.00,  0.01,  0.00)
174:     angle   ( 27.297, -91.996,  12.159)  ( 27.308, -91.988,  12.161)  ( 0.04,  0.01,  0.01)
174:     torsion ( -0.005,  -0.273,  -6.256)  ( -0.005,  -0.273,  -6.254)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -2.864,  -0.768,  -0.221)  ( -2.864,  -0.768,  -0.220)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (152.615,  23.670, -20.267)  (152.663,  23.722, -20.222)  ( 0.03,  0.22,  0.22)
174:     bond    (210.345, -55.349, -26.984)  (210.383, -55.310, -26.947)  ( 0.02,  0.07,  0.14)
174:     angle   (-50.047,  74.481,  16.185)  (-50.037,  74.494,  16.193)  ( 0.02,  0.02,  0.05)
174:     torsion (  0.131,   0.423,  -7.331)  (  0.131,   0.424,  -7.330)  ( 0.00,  0.01,  0.01)
174:     vdw     ( -7.814,   4.115,  -2.137)  ( -7.814,   4.115,  -2.137)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (1785.590, 3194.715, 371.046)  (1785.622, 3194.747, 371.062)  ( 0.00,  0.00,  0.00)
174:     bond    (1706.986, 3075.895, 357.608)  (1707.015, 3075.923, 357.623)  ( 0.00,  0.00,  0.00)
174:     angle   ( 78.219, 118.734,  12.897)  ( 78.222, 118.737,  12.898)  ( 0.00,  0.00,  0.01)
174:     torsion ( -0.042,  -0.079,   0.498)  ( -0.042,  -0.079,   0.498)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.426,   0.166,   0.043)  (  0.426,   0.166,   0.043)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       ( 79.851,  46.237,  75.880)  ( 79.900,  46.286,  75.900)  ( 0.06,  0.11,  0.03)
174:     bond    ( 96.990,  49.734, 133.186)  ( 97.033,  49.778, 133.199)  ( 0.04,  0.09,  0.01)
174:     angle   (-23.803,   0.498, -50.811)  (-23.797,   0.504, -50.804)  ( 0.03,  0.28,  0.01)
174:     torsion (  3.659,  -4.370,  -7.003)  (  3.659,  -4.370,  -7.002)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.005,   0.375,   0.507)  (  3.005,   0.375,   0.507)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (  1.028,  17.661, -26.397)  (  1.031,  17.684, -26.388)  ( 0.33,  0.13,  0.03)
174:     bond    (  0.649,  28.028, -13.838)  (  0.649,  28.050, -13.832)  ( 0.01,  0.08,  0.04)
174:     angle   ( 18.498, -10.591, -20.611)  ( 18.501, -10.590, -20.608)  ( 0.02,  0.01,  0.01)
174:     torsion (  0.531,   0.253,   0.537)  (  0.531,   0.253,   0.537)  ( 0.00,  0.00,  0.00)
174:     vdw     (-18.650,  -0.029,   7.514)  (-18.650,  -0.029,   7.514)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       ( -3.258, -11.551,  14.666)  ( -3.254, -11.547,  14.693)  ( 0.11,  0.04,  0.18)
174:     bond    (  1.501,   1.340,   9.477)  (  1.502,   1.341,   9.504)  ( 0.04,  0.04,  0.28)
174:     angle   ( 10.124, -22.656,   1.596)  ( 10.127, -22.652,   1.596)  ( 0.03,  0.02,  0.01)
174:     torsion ( -0.444,  -0.586,   0.153)  ( -0.444,  -0.586,   0.153)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.439,  10.351,   3.440)  (-14.439,  10.351,   3.440)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (  8.999,  23.828,  -9.746)  (  9.046,  23.880,  -9.699)  ( 0.52,  0.22,  0.48)
174:     bond    (-48.888, 105.451, -60.397)  (-48.852, 105.493, -60.360)  ( 0.07,  0.04,  0.06)
174:     angle   ( 51.506, -71.132,  52.476)  ( 51.518, -71.122,  52.486)  ( 0.02,  0.01,  0.02)
174:     torsion (  2.888,  -2.402,  -0.834)  (  2.888,  -2.402,  -0.834)  ( 0.01,  0.01,  0.03)
174:     vdw     (  3.492,  -8.089,  -0.991)  (  3.493,  -8.089,  -0.991)  ( 0.01,  0.00,  0.00)
175: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
175:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
175:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
175:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
175: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
175:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
175:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
175:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
175:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
175: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
175:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
175:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
175:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
175:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
175: ok 24 # gradients 
175: ok 25 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d3b_6j0.sdf
177:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
177:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
177:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
177:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
177:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
177:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
177:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
177:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
177:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
177:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
177:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
177:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
177:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
177:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
177:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
177:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
177:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
177:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
177:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
177:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
177:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
177:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
177:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
177:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
177:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
177:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d3i_1et.sdf
175:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
175:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
175:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
175:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
175:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
175:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
175:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
175:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
175:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
175:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
175:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
175:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
175:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
175:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
175:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
175:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
175:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
175:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
175:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
175:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
175:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
175:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
175:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
175:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
175:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
175:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
175:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
175:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
175:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
175:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d3j_xfn.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (168.618, -73.192,  -8.367)  (168.664, -73.142,  -8.323)  ( 0.03,  0.07,  0.52)
174:     bond    (174.455, -73.803,  12.300)  (174.491, -73.766,  12.336)  ( 0.02,  0.05,  0.29)
174:     angle   ( -5.169,   2.391, -28.800)  ( -5.158,   2.404, -28.792)  ( 0.20,  0.57,  0.03)
174:     torsion ( -1.039,  -0.893,   8.375)  ( -1.039,  -0.893,   8.376)  ( 0.01,  0.02,  0.00)
174:     vdw     (  0.371,  -0.887,  -0.242)  (  0.371,  -0.887,  -0.242)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       ( 29.009,  -1.837, -22.246)  ( 29.025,  -1.824, -22.240)  ( 0.06,  0.69,  0.03)
174:     bond    ( 19.172, -16.718,  -8.157)  ( 19.186, -16.707,  -8.155)  ( 0.07,  0.06,  0.03)
174:     angle   ( 12.531,  27.144, -26.134)  ( 12.533,  27.146, -26.130)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.871,  -4.448,   7.065)  ( -0.871,  -4.448,   7.065)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.823,  -7.815,   4.980)  ( -1.822,  -7.815,   4.980)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-18.591,  20.067,  11.603)  (-18.588,  20.071,  11.630)  ( 0.02,  0.02,  0.24)
174:     bond    (  0.549,   0.488,   6.488)  (  0.549,   0.488,   6.515)  ( 0.01,  0.01,  0.42)
174:     angle   (-20.628,  20.227,   0.222)  (-20.625,  20.230,   0.222)  ( 0.02,  0.02,  0.00)
174:     torsion ( -3.898,   9.473,  -0.381)  ( -3.898,   9.473,  -0.381)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.386, -10.121,   5.274)  (  5.386, -10.120,   5.274)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       ( -4.732,  12.031, -27.864)  ( -4.729,  12.039, -27.840)  ( 0.06,  0.06,  0.08)
174:     bond    (  1.186,  -7.219, -16.041)  (  1.186,  -7.214, -16.018)  ( 0.00,  0.06,  0.14)
174:     angle   (  3.461,  11.430,  -4.894)  (  3.464,  11.433,  -4.893)  ( 0.08,  0.03,  0.01)
174:     torsion ( -3.441,   8.521,  -4.093)  ( -3.441,   8.521,  -4.093)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.938,  -0.701,  -2.837)  ( -5.938,  -0.701,  -2.837)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-13.698, -11.039,  21.550)  (-13.694, -11.022,  21.564)  ( 0.03,  0.15,  0.06)
174:     bond    ( -4.106, -16.342,  14.622)  ( -4.105, -16.327,  14.634)  ( 0.02,  0.09,  0.08)
174:     angle   ( -9.290,  14.645,  13.733)  ( -9.287,  14.646,  13.736)  ( 0.03,  0.01,  0.02)
174:     torsion (  4.719,  -6.094,  -5.475)  (  4.719,  -6.094,  -5.475)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.020,  -3.247,  -1.330)  ( -5.020,  -3.247,  -1.330)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (  1.863,  81.697,   5.197)  (  1.890,  81.704,   5.198)  ( 1.45,  0.01,  0.01)
174:     bond    (-16.753,   4.379,  -1.879)  (-16.726,   4.381,  -1.879)  ( 0.16,  0.04,  0.01)
174:     angle   ( 19.859,  78.705,   6.738)  ( 19.860,  78.711,   6.738)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.066,  -0.028,   0.522)  ( -0.066,  -0.028,   0.523)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -0.387,  -0.730,  -0.098)  ( -0.387,  -0.730,  -0.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.790,  -0.630,  -0.086)  ( -0.790,  -0.630,  -0.086)  ( 0.00,  0.00,  0.00)
174: 17       ( 16.835,   7.907,   3.018)  ( 16.841,   7.936,   3.018)  ( 0.03,  0.36,  0.02)
174:     bond    ( -0.453,   5.351,   0.238)  ( -0.453,   5.379,   0.238)  ( 0.01,  0.54,  0.00)
174:     angle   ( 16.859,   1.351,   1.571)  ( 16.865,   1.351,   1.571)  ( 0.03,  0.00,  0.01)
174:     torsion ( -0.089,  -0.042,   0.787)  ( -0.089,  -0.042,   0.788)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -0.202,   0.587,   0.186)  ( -0.202,   0.587,   0.186)  ( 0.00,  0.00,  0.00)
174:     electro (  0.721,   0.661,   0.236)  (  0.721,   0.661,   0.236)  ( 0.00,  0.00,  0.00)
174: 18       (-99.292, 244.321, -59.455)  (-99.240, 244.368, -59.409)  ( 0.05,  0.02,  0.08)
174:     bond    (-148.417, 167.758, -176.834)  (-148.375, 167.796, -176.797)  ( 0.03,  0.02,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d3m_ivu.sdf
177:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
177:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
177:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
177:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
177:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
177:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
177:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
177:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
177:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
177:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
177:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
177:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
177:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
177:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
177:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
177:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
177:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
177:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
177: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
177:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
177:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
177:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
177:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
177: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
177:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
177:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
177:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
177:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
177:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
177:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
177: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
175:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
175:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
175:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
175:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
175:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
175:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
175:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
175:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
175:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
175:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
175:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
175:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
175:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
175:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
175:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
175: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
175:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
175:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
175:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
175:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
175:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
175: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d3n_sk6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d3o_s97.sdf
177:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
177:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
177:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
177:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
177:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
177:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
177: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
177:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
177:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
177:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
177:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
177: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
177:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
177:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
177:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
177: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
177:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
177:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
177:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
177:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
177:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
177: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
177:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
177:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
177:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
177: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
177:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
177:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
175:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
175:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
175:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
175:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
175:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
175:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
175:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
175:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
175:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
175:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
175:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
175:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
175:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
175:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
175:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
175:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d3t_rfq.sdf
174:     angle   ( 42.680,  72.995, 119.661)  ( 42.689,  73.003, 119.671)  ( 0.02,  0.01,  0.01)
174:     torsion (  1.407,   0.167,   0.022)  (  1.407,   0.167,   0.022)  ( 0.02,  0.01,  0.00)
174:     vdw     (  5.038,   3.401,  -2.304)  (  5.038,   3.402,  -2.304)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 96.583, -100.565, -112.965)  ( 96.632, -100.532, -112.872)  ( 0.05,  0.03,  0.08)
174:     bond    ( 89.102, -72.229, -82.360)  ( 89.141, -72.204, -82.278)  ( 0.04,  0.03,  0.10)
174:     angle   (  6.652, -35.001, -29.477)  (  6.660, -34.996, -29.466)  ( 0.12,  0.02,  0.04)
174:     torsion ( -3.870,  -4.736,  -0.148)  ( -3.869,  -4.735,  -0.147)  ( 0.03,  0.03,  0.00)
174:     vdw     (  4.700,  11.402,  -0.981)  (  4.700,  11.402,  -0.981)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (-96.914, -186.470, -88.497)  (-96.882, -186.398, -88.448)  ( 0.03,  0.04,  0.06)
174:     bond    (-78.790, -177.103, -33.032)  (-78.764, -177.044, -32.992)  ( 0.03,  0.03,  0.12)
174:     angle   (-37.779,  -5.578, -57.772)  (-37.775,  -5.566, -57.764)  ( 0.01,  0.22,  0.01)
174:     torsion (  3.007,  -1.147,  -2.059)  (  3.009,  -1.147,  -2.058)  ( 0.05,  0.02,  0.03)
174:     vdw     ( 16.394,  -2.558,   3.543)  ( 16.395,  -2.558,   3.543)  ( 0.00,  0.01,  0.00)
174:     electro (  0.254,  -0.083,   0.823)  (  0.254,  -0.083,   0.823)  ( 0.00,  0.00,  0.00)
174: 21       ( 18.115, -22.004,  18.288)  ( 18.119, -22.001,  18.316)  ( 0.02,  0.02,  0.15)
174:     bond    (  2.140,   2.802,  20.123)  (  2.140,   2.803,  20.150)  ( 0.01,  0.02,  0.13)
174:     angle   ( 15.176, -39.573,   3.891)  ( 15.179, -39.570,   3.891)  ( 0.02,  0.01,  0.00)
174:     torsion (  0.307,  -0.893,   0.092)  (  0.307,  -0.893,   0.092)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.491,  15.659,  -5.817)  (  0.492,  15.659,  -5.817)  ( 0.04,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-42.548,  36.110, 101.283)  (-42.494,  36.142, 101.373)  ( 0.13,  0.09,  0.09)
174:     bond    (-23.994,  20.120, 152.420)  (-23.949,  20.145, 152.498)  ( 0.19,  0.13,  0.05)
174:     angle   (-15.950,  11.852, -46.633)  (-15.942,  11.857, -46.621)  ( 0.05,  0.04,  0.03)
174:     torsion (  1.770,   2.186,  -0.008)  (  1.771,   2.188,  -0.008)  ( 0.06,  0.09,  0.00)
174:     vdw     ( -4.798,   2.484,  -4.355)  ( -4.798,   2.484,  -4.355)  ( 0.00,  0.00,  0.00)
174:     electro (  0.424,  -0.532,  -0.141)  (  0.424,  -0.532,  -0.141)  ( 0.00,  0.00,  0.00)
174: 23       (-43.446,  32.619, -30.428)  (-43.381,  32.658, -30.357)  ( 0.15,  0.12,  0.24)
174:     bond    (-51.035,  39.009, -46.081)  (-50.979,  39.040, -46.022)  ( 0.11,  0.08,  0.13)
174:     angle   (  8.095,  -5.547,  21.069)  (  8.103,  -5.543,  21.081)  ( 0.10,  0.08,  0.06)
174:     torsion ( -0.540,  -0.735,   0.027)  ( -0.538,  -0.733,   0.027)  ( 0.06,  0.15,  0.00)
174:     vdw     ( -0.067,  -0.023,  -5.994)  ( -0.067,  -0.023,  -5.994)  ( 0.00,  0.00,  0.00)
174:     electro (  0.101,  -0.083,   0.550)  (  0.101,  -0.083,   0.550)  ( 0.00,  0.00,  0.00)
174: 24       ( 43.655, -32.377,  -0.397)  ( 43.704, -32.347,  -0.301)  ( 0.11,  0.09,  3.82)
174:     bond    ( 53.195, -40.302,   1.077)  ( 53.234, -40.280,   1.160)  ( 0.07,  0.06,  7.75)
174:     angle   (-12.815,   9.925,   0.448)  (-12.807,   9.930,   0.461)  ( 0.06,  0.05,  0.56)
174:     torsion (  0.338,   0.422,   0.009)  (  0.339,   0.424,   0.009)  ( 0.04,  0.09,  0.00)
174:     vdw     (  3.486,  -2.810,  -1.722)  (  3.486,  -2.810,  -1.722)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.549,   0.389,  -0.208)  ( -0.549,   0.389,  -0.208)  ( 0.00,  0.00,  0.00)
174: 25       (-32.886,  25.469,  21.497)  (-32.834,  25.503,  21.587)  ( 0.16,  0.13,  0.42)
174:     bond    (-40.084,  29.921,  66.737)  (-40.040,  29.947,  66.813)  ( 0.11,  0.09,  0.12)
174:     angle   (  3.923,  -1.226, -49.132)  (  3.931,  -1.221, -49.119)  ( 0.20,  0.39,  0.03)
174:     torsion ( -0.183,  -0.218,   0.004)  ( -0.181,  -0.216,   0.004)  ( 0.02,  0.04,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d41_ja1.sdf
177:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
177: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
177:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
177:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
177:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
177:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
177: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
177:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
177:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
177:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
177: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
177:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
177:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
177:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
177:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
177: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
177:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
177:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
177:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
177:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
177:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
177: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
177:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
177:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
177:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
177: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
177:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d43_9w7.sdf
175:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
175:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
175:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
175:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
175:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
175:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
175:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
175:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
175:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
175:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
175:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
175: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
175:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
175:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
175:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
175:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
175:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
175:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
175:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
175: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
175:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
175:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
175:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
175:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
175:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
175:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
175:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
175:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
175:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d46_j47.sdf
177:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
177:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
177: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
177:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
177:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
177:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
177:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
177:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
177:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
177:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
177:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
177:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
177:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.666,  -3.125,   4.567)  (  3.666,  -3.124,   4.567)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.209,   0.118,  -0.679)  ( -0.209,   0.118,  -0.679)  ( 0.00,  0.00,  0.00)
174: 26       ( 19.751, -10.864, -138.067)  ( 19.814, -10.825, -138.002)  ( 0.32,  0.36,  0.05)
174:     bond    (-33.426,  30.737, -202.437)  (-33.371,  30.770, -202.385)  ( 0.16,  0.11,  0.03)
174:     angle   ( 51.930, -40.568,  58.813)  ( 51.936, -40.564,  58.827)  ( 0.01,  0.01,  0.02)
174:     torsion ( -0.221,  -0.407,  -0.147)  ( -0.220,  -0.405,  -0.147)  ( 0.02,  0.06,  0.00)
174:     vdw     (  1.469,  -0.626,   5.704)  (  1.469,  -0.626,   5.704)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (  9.878,  -7.268,  34.221)  (  9.891,  -7.260,  34.237)  ( 0.13,  0.10,  0.04)
174:     bond    ( 18.852, -13.640,  19.276)  ( 18.863, -13.634,  19.287)  ( 0.06,  0.04,  0.06)
174:     angle   (-12.238,   9.361,  18.582)  (-12.237,   9.362,  18.585)  ( 0.01,  0.01,  0.02)
174:     torsion (  2.363,   3.195,  -0.052)  (  2.363,   3.196,  -0.052)  ( 0.01,  0.02,  0.00)
174:     vdw     (  1.457,  -6.242,  -3.795)  (  1.457,  -6.241,  -3.795)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.556,   0.058,   0.211)  ( -0.556,   0.058,   0.211)  ( 0.00,  0.00,  0.00)
174: 28       (-17.475,  14.834,  -2.649)  (-17.462,  14.842,  -2.635)  ( 0.07,  0.06,  0.54)
174:     bond    (-13.747,  11.035, -13.443)  (-13.735,  11.043, -13.432)  ( 0.08,  0.07,  0.08)
174:     angle   ( -5.564,   4.176,   9.118)  ( -5.562,   4.176,   9.121)  ( 0.02,  0.02,  0.04)
174:     torsion (  0.531,   0.676,   0.013)  (  0.531,   0.676,   0.013)  ( 0.02,  0.03,  0.00)
174:     vdw     (  1.658,  -1.338,   0.526)  (  1.658,  -1.338,   0.526)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.354,   0.285,   1.137)  ( -0.354,   0.285,   1.137)  ( 0.00,  0.00,  0.00)
174: 29       (-40.695,  27.606,  93.442)  (-40.693,  27.608,  93.464)  ( 0.01,  0.01,  0.02)
174:     bond    ( -7.021,   2.002,  89.351)  ( -7.022,   2.002,  89.373)  ( 0.00,  0.01,  0.02)
174:     angle   (-45.674,  35.582,  -4.385)  (-45.672,  35.584,  -4.385)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.551,   2.029,   0.076)  (  1.551,   2.029,   0.076)  ( 0.01,  0.01,  0.00)
174:     vdw     ( 10.450, -12.007,   8.400)  ( 10.450, -12.007,   8.400)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( -0.829,  -1.200,  15.993)  ( -0.825,  -1.197,  16.022)  ( 0.36,  0.23,  0.18)
174:     bond    ( -2.181,   1.471,  19.357)  ( -2.181,   1.472,  19.386)  ( 0.02,  0.02,  0.15)
174:     angle   (  1.519,  -1.155,   0.259)  (  1.522,  -1.153,   0.259)  ( 0.23,  0.17,  0.00)
174:     torsion ( -0.839,  -1.115,  -0.010)  ( -0.839,  -1.115,  -0.010)  ( 0.02,  0.04,  0.00)
174:     vdw     (  0.546,  -0.339,  -2.337)  (  0.546,  -0.339,  -2.337)  ( 0.00,  0.00,  0.00)
174:     electro (  0.126,  -0.061,  -1.275)  (  0.126,  -0.061,  -1.275)  ( 0.00,  0.00,  0.00)
174: 31       (-11.407,   8.124,   5.758)  (-11.390,   8.134,   5.767)  ( 0.15,  0.12,  0.16)
174:     bond    (-13.844,  10.469,   7.022)  (-13.828,  10.478,   7.026)  ( 0.11,  0.09,  0.06)
174:     angle   (  0.011,  -0.028,   0.060)  (  0.012,  -0.028,   0.065)  ( 0.00,  0.00,  0.03)
174:     torsion ( -0.265,  -0.344,  -0.009)  ( -0.264,  -0.343,  -0.009)  ( 0.01,  0.02,  0.00)
174:     vdw     (  1.683,  -1.247,  -1.020)  (  1.683,  -1.247,  -1.020)  ( 0.00,  0.00,  0.01)
174:     electro (  1.008,  -0.726,  -0.295)  (  1.008,  -0.726,  -0.295)  ( 0.00,  0.00,  0.00)
174: 32       (-52.345, -67.440, -40.041)  (-52.327, -67.403, -40.025)  ( 0.03,  0.06,  0.04)
174:     bond    (-50.873, -72.955, -43.899)  (-50.855, -72.919, -43.886)  ( 0.03,  0.05,  0.03)
174:     angle   ( -1.963,   5.893,  -7.524)  ( -1.963,   5.895,  -7.521)  ( 0.00,  0.03,  0.04)
174:     torsion ( -4.234,   1.481,   2.446)  ( -4.234,   1.481,   2.446)  ( 0.01,  0.00,  0.00)
174:     vdw     (  4.991,  -2.441,   9.032)  (  4.992,  -2.441,   9.032)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.266,   0.581,  -0.096)  ( -0.266,   0.581,  -0.096)  ( 0.00,  0.00,  0.00)
174: 33       ( 60.735, -72.826, 144.796)  ( 60.747, -72.793, 144.826)  ( 0.02,  0.05,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d4j_bki.sdf
175:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
175:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
175:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
175:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
175: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
175:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
175:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
175:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
175:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
175:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
175:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
175: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
175:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
175:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
175:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
175:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
175: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
175:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
175:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
175:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
175:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
175:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
175:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
175:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
175:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
175:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
175: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
175:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
175:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
175:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d4k_bke.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d4l_bks.sdf
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
177:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
177:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
177:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
177:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
177:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
177:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
177:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
177:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
177:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
177:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
175: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
175:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
175:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
175:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
175:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
175:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
175:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
175:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
175:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
175:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
175:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
175:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
175:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
175:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
175:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
175:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
175: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
175:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
175:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
175:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
175:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
175: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
175:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
175:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
175:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d4m_bkv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d4v_kb8.sdf
174:     bond    (101.827, -37.869, 196.831)  (101.834, -37.846, 196.857)  ( 0.01,  0.06,  0.01)
174:     angle   (-36.650, -45.180, -53.604)  (-36.647, -45.170, -53.601)  ( 0.01,  0.02,  0.00)
174:     torsion ( -7.700,   2.459,   5.024)  ( -7.698,   2.459,   5.024)  ( 0.02,  0.01,  0.01)
174:     vdw     (  3.258,   7.764,  -3.454)  (  3.258,   7.764,  -3.454)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 10.585,   0.388,  17.616)  ( 10.635,   0.436,  17.664)  ( 0.47,  1.87,  0.28)
174:     bond    ( -0.500, -12.373,   9.898)  ( -0.463, -12.338,   9.934)  ( 1.85,  0.29,  0.36)
174:     angle   (  9.648,  15.499,  18.299)  (  9.659,  15.512,  18.311)  ( 0.12,  0.08,  0.07)
174:     torsion (  4.643,  -2.560,  -5.629)  (  4.644,  -2.560,  -5.628)  ( 0.02,  0.00,  0.01)
174:     vdw     ( -3.206,  -0.178,  -4.952)  ( -3.206,  -0.178,  -4.952)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       (-15.954,  -1.580, -30.115)  (-15.945,  -1.577, -30.093)  ( 0.06,  0.20,  0.07)
174:     bond    (-16.793,  -0.896, -30.319)  (-16.787,  -0.897, -30.298)  ( 0.04,  0.01,  0.07)
174:     angle   (  1.413,  -0.380,  -0.775)  (  1.417,  -0.376,  -0.774)  ( 0.22,  0.12,  0.08)
174:     torsion ( -0.703,   0.187,   0.384)  ( -0.703,   0.187,   0.384)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.129,  -0.491,   0.595)  (  0.129,  -0.491,   0.595)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       (  3.892,  26.603,  30.203)  (  3.901,  26.617,  30.215)  ( 0.24,  0.05,  0.04)
174:     bond    (-14.715,  20.399,  18.854)  (-14.709,  20.410,  18.864)  ( 0.04,  0.06,  0.05)
174:     angle   ( 19.840,   2.318,  12.960)  ( 19.843,   2.320,  12.962)  ( 0.02,  0.08,  0.02)
174:     torsion (  1.928,   0.401,   1.070)  (  1.929,   0.401,   1.070)  ( 0.01,  0.00,  0.01)
174:     vdw     ( -3.162,   3.486,  -2.682)  ( -3.162,   3.486,  -2.682)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       ( 35.452,  17.308,  10.249)  ( 35.477,  17.313,  10.254)  ( 0.07,  0.03,  0.05)
174:     bond    ( 32.455,   9.782,  -5.786)  ( 32.479,   9.784,  -5.785)  ( 0.08,  0.02,  0.01)
174:     angle   (  2.700,   4.121,  22.134)  (  2.701,   4.125,  22.137)  ( 0.01,  0.08,  0.02)
174:     torsion (  0.010,   0.083,   0.194)  (  0.010,   0.083,   0.194)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.287,   3.322,  -6.292)  (  0.287,   3.322,  -6.292)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 26 # gradients 
174: ok 27 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
174:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
174:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
174:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
174:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
174:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
174:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
177:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
177:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
177:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
177:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
177: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
177:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
177:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
177:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
177: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
177:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
177:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
177: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
177:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
177:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
177: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
177:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
177:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
177:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
177: ok 2 # gradients 
177: ok 3 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
177:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
177:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
177:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
177:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
177:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
177:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
177:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
177:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
177:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
177:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
177:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
177:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
177:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
177:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
177:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
177:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
177:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
177:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
177:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
177:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
177:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d5h_9rm.sdf
177:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
177:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
177:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
177:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
177: ok 4 # gradients 
177: ok 5 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.272,   0.975,  -1.711)  ( -0.266,   0.978,  -1.706)  ( 0.14,  0.26,  0.24)
177:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
177:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
177:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
177:     torsion ( -0.109,   0.451,  -0.803)  ( -0.109,   0.451,  -0.803)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
177:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
177:  2       (  0.141,  -0.327,   0.169)  (  0.149,  -0.299,   0.191)  ( 0.11,  0.92,  0.37)
177:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
177:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
177:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
177:     torsion (  0.021,  -0.143,   0.129)  (  0.021,  -0.143,   0.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.137,  -0.079)  ( -0.000,  -0.113,  -0.065)  ( 0.00,  0.34,  0.11)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.084,  -0.016,   0.020)  ( -0.082,  -0.019,   0.022)  ( 0.02,  0.00,  0.01)
177:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
177:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -0.057,  -0.033)  (  0.000,  -0.056,  -0.033)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
177:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
177:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.054,   0.575,   0.361)  ( -0.045,   0.530,   0.340)  ( 0.05,  2.57,  0.74)
177:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
177:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
177:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
177:     torsion (  0.002,   0.488,   0.281)  (  0.002,   0.488,   0.281)  ( 0.00,  0.02,  0.00)
177:     oop     ( -0.000,   0.284,   0.162)  ( -0.000,   0.237,   0.135)  ( 0.00,  1.33,  0.44)
177:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (  0.018,  -0.203,  -0.165)  (  0.019,  -0.184,  -0.152)  ( 0.00,  0.39,  0.22)
177:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
177:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,  -0.219,  -0.125)  ( -0.003,  -0.219,  -0.125)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.099,  -0.056)  ( -0.000,  -0.081,  -0.046)  ( 0.00,  0.18,  0.06)
177:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
177:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
177:  6       (  0.023,  -0.205,  -0.126)  (  0.027,  -0.191,  -0.117)  ( 0.01,  0.28,  0.10)
177:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
177:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d6z_pk9.sdf
175:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
175:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
175: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
175:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
175:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
175:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
175:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
175:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
175:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
175:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 26 # gradients 
175: ok 27 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
177:     torsion (  0.001,  -0.154,  -0.090)  (  0.001,  -0.153,  -0.090)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.093,  -0.053)  (  0.001,  -0.079,  -0.045)  ( 0.00,  0.13,  0.04)
177:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
177:  7       (  0.008,  -0.187,   0.604)  (  0.009,  -0.184,   0.605)  ( 0.00,  0.06,  0.03)
177:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
177:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
177:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.043,  -0.004,   0.425)  (  0.043,  -0.004,   0.425)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       (  0.007,  -0.431,   0.471)  (  0.008,  -0.429,   0.474)  ( 0.00,  0.05,  0.12)
177:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
177:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.044,  -0.368,   0.213)  (  0.044,  -0.368,   0.213)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.179,  -0.203,   0.341)  (  0.180,  -0.202,   0.343)  ( 0.02,  0.02,  0.08)
177:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
177:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.005,   0.003)  ( -0.000,   0.005,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 6 # gradients 
177: ok 7 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
177:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
177:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
177:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
177:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
177:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
177:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
177:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
177:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
177:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
177:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
177:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
177:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
177:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
177:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
177:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
177:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
177:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
177:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
177:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d76_j1j.sdf
177:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
177:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
177:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
177:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
177:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
177:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
177:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
177:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
177:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
177: ok 8 # gradients 
177: ok 9 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
177:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
177:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
177:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
177:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
177:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
177:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
177:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
177:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
177:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
177:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
177:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
177:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
177:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
177:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
177:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
177:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d78_j9k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d7d_pkt.sdf
175:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
175:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
175:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
175:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
175:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
175:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
175:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
175:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
175:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
175:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
175:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
175:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
175:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
175:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
175:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
175:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
175:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
175:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
175:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
175:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
175:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
175:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
175:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
175:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
175:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
175:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
177:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
177:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
177:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
177:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
177:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
177:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
174:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
174:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
174:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
174:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
174:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
174:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
174:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
174:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
174:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
174:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
174:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
174:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
174:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
174:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
174:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
174:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
174:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
174:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
174:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
174:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
174:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
174:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
174:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
174:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
174:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
174:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
174:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
174:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
174:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d7f_ixa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d7g_e6u.sdf
177:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
177:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
177:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 10 # gradients 
177: ok 11 # energy 
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d7o_0gd.sdf
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
175:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
175:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
175:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
175:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
175:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
175:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
175:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
175:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
175:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
175:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
175:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
175:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
175:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
175:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
175:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
175:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
175:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
175:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
175: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
175:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
175:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
175:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
175:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
175: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
175:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
175:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
175:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
175:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
175:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
175:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
175: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
177:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
177:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
177:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
177:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
177:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
177:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
177:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
177:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
177:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
177:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
177:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
177:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
177:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
177:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
177:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
177:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
177:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d8n_0hm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d8s_0hx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d96_5pa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d97_dsn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d9e_lcs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d9m_0jo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4d9t_0jg.sdf
174:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
174:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
174:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
174:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
174:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
174:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
174:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
174:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
174:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
174:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
174:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
174:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
174: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
174:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
174:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
174:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
174: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
174:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
174:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
174:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
174:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
174:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
174: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
174:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
174:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
174:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
174:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
174: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
174:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
174:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
174:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
175:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
175:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
175:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
175:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
175:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
175: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
175:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
175:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
175:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
175:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
175: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
175:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
175:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
175:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
175: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
175:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
175:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
175:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
175:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
175:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
175: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
175:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
175:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
175: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
175:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
175:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4da0_gng.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4da5_0h7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4da6_ga2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4da8_bg2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dae_6cr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dar_tbn.sdf
175:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
175: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
175:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
175:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
175:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
175:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
175: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
175:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
175:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
175:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
175: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
175:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
175:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
175:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
175:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
175: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
175:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
175:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
175:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
175:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
175: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
175:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
175:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
175:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
175: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
175:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4daw_0h2.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 12 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dbn_0ja.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dbs_0hv.sdf
174: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
174:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
174:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
174:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
174:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
174: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
174:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
174:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
174:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
174:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
174:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
174:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
174:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
174:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
174:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
174:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
174:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
174: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
174:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
174:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
174:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
174: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
174:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
174:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
174:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
174:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
174: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
174:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
174:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
174:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
174:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dbu_bt9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dbw_511.sdf
175:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
175:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
175: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
175:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
175:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
175:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
175:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
175:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
175:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
175:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
175:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
175:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
175:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dce_0jf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dcg_mg7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dch_4dc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dcx_l2d.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 4 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 7 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 18 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 29 N
177:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
177:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
177:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
177:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 12 # gradients 
177: ok 13 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dcy_l2m.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 0 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 20 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 21 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 27 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ddh_ms0.sdf
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
175:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
175:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
175:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
175:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
175:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
175:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
175:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
175:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
175:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
175:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ddk_0hn.sdf
174:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
174:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
174:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
174:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
174:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
174:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
174:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
174:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
174:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
174:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
174:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
174:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
174:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
174:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
174:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
174:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
174:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
174:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
174:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
174:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
174:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
174:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
174:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ddl_0jq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ddm_0ho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ddr_mmv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dea_nhi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4deb_nhj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ded_nhu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4deg_0jj.sdf
175:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
175:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
175:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
175:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
175: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
175:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
175:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
175:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
175: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
175:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
175:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
175: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
175:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
175:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
175: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
175:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
175:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
175:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
175: ok 28 # gradients 
175: ok 29 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4deh_0jk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dei_0jl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4df4_0l3.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
174:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
174:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
174:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
174:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
174:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
174:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
174:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
174:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
174:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
174:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
174: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
174:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
174:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
174:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
174:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
174:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
174: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
174:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
174:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
174:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
174: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
174:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
174:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
174:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
174: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
174:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
174:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
174:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
174:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
174: ok 28 # gradients 
174: ok 29 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
175:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
175:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
175:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
175:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
175:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
175:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
175:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
175:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
175:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
175:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
175:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
175:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
175:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
175:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
175:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
175:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
175:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
175:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
175:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
175:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
175:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
175:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
175:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
175:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4df8_0l4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dfg_0jv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dfj_0kl.sdf
175:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
175:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
175:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
175:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
175:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
175:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
175:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
175:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
175:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
175:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
175:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
175:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
175:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
175:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
175:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
175:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
175:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
175:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
175:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
175:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
175:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
175: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
175:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
175:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
175:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
175:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
175:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
175: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
175:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
175:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
175:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
175:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
175:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
175:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
175: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
177:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
177:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
177:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
177:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
177:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
177:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
177:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
177:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
177:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
177:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
177:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
177:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
177:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
177:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
177:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
177:  4       (  0.339,   2.335,  -1.508)  (  0.354,   2.156,  -1.322)  ( 0.49,  7.67, 12.33)
177:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
177:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
177:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
177:     oop     ( -0.042,   1.022,  -1.056)  ( -0.035,   0.836,  -0.873)  ( 0.03, 18.16, 17.37)
177:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
177:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
177:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
177:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
177:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
177:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
177:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
177:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
177:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
177:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
177:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
177:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
177:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dfk_0l5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dfl_0k0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dfm_0l6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dfn_0k1.sdf
174: ----------------------------------------------------------------------------------------
174:  1       (-483.685, -788.434, -25.900)  (-483.635, -788.379, -25.858)  ( 0.01,  0.01,  0.16)
174:     bond    (-123.483, -133.688,  12.161)  (-123.445, -133.645,  12.191)  ( 0.03,  0.03,  0.25)
174:     angle   (-359.908, -649.896, -38.074)  (-359.897, -649.884, -38.062)  ( 0.00,  0.00,  0.03)
174:     torsion (  2.101,  -1.457,   2.833)  (  2.101,  -1.457,   2.833)  ( 0.02,  0.02,  0.02)
174:     vdw     ( -2.395,  -3.392,  -2.820)  ( -2.395,  -3.392,  -2.820)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-150.289,  75.914, 142.318)  (-150.239,  75.954, 142.365)  ( 0.03,  0.05,  0.03)
174:     bond    (  9.834,  50.544, -146.894)  (  9.875,  50.571, -146.855)  ( 0.41,  0.05,  0.03)
174:     angle   (-153.746,  27.483, 293.328)  (-153.736,  27.495, 293.336)  ( 0.01,  0.04,  0.00)
174:     torsion ( -6.223,  -2.600,  -3.652)  ( -6.222,  -2.599,  -3.651)  ( 0.01,  0.03,  0.02)
174:     vdw     ( -0.155,   0.487,  -0.464)  ( -0.155,   0.487,  -0.464)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (118.446, 171.114, -465.743)  (118.500, 171.156, -465.699)  ( 0.04,  0.02,  0.01)
174:     bond    (-19.118,  50.713, -154.500)  (-19.073,  50.747, -154.471)  ( 0.24,  0.07,  0.02)
174:     angle   (137.091,  91.897, -324.372)  (137.099,  91.904, -324.357)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.601,  28.940,  16.482)  ( -0.601,  28.940,  16.483)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.074,  -0.436,  -3.354)  (  1.074,  -0.436,  -3.354)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-86.609, 439.014, 711.149)  (-86.565, 439.062, 711.205)  ( 0.05,  0.01,  0.01)
174:     bond    (-32.932,  73.361, 171.694)  (-32.901,  73.397, 171.737)  ( 0.09,  0.05,  0.03)
174:     angle   (-54.988, 361.477, 537.547)  (-54.976, 361.488, 537.560)  ( 0.02,  0.00,  0.00)
174:     torsion (  0.844,   1.591,  -0.716)  (  0.845,   1.592,  -0.716)  ( 0.04,  0.03,  0.01)
174:     vdw     (  0.467,   2.585,   2.624)  (  0.467,   2.585,   2.624)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( -7.567, -638.470,  59.542)  ( -7.494, -638.410,  59.578)  ( 0.97,  0.01,  0.06)
174:     bond    (236.905, -169.810,   6.565)  (236.972, -169.758,   6.592)  ( 0.03,  0.03,  0.41)
174:     angle   (-212.896, -410.032, 140.931)  (-212.889, -410.024, 140.940)  ( 0.00,  0.00,  0.01)
174:     torsion (-26.430, -66.832, -87.390)  (-26.430, -66.832, -87.390)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.147,   8.205,  -0.565)  ( -5.147,   8.205,  -0.565)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (228.653, 260.133,  44.807)  (228.739, 260.195,  44.834)  ( 0.04,  0.02,  0.06)
174:     bond    (-54.553, -97.251, 136.985)  (-54.476, -97.200, 137.006)  ( 0.14,  0.05,  0.02)
174:     angle   (241.657, 321.716, -125.937)  (241.665, 321.726, -125.930)  ( 0.00,  0.00,  0.00)
174:     torsion ( 33.723,  32.553,  36.486)  ( 33.724,  32.554,  36.486)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.350,   3.286,  -3.257)  (  8.350,   3.286,  -3.257)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.524,  -0.171,   0.530)  ( -0.524,  -0.171,   0.530)  ( 0.00,  0.00,  0.00)
174:  7       (-587.438, -143.305,  11.645)  (-587.363, -143.225,  11.664)  ( 0.01,  0.06,  0.17)
174:     bond    (-298.842, -73.718,  17.820)  (-298.773, -73.651,  17.834)  ( 0.02,  0.09,  0.08)
174:     angle   (-258.526, -67.862, -17.538)  (-258.520, -67.851, -17.531)  ( 0.00,  0.02,  0.04)
174:     torsion (-39.427,  -2.663,  13.927)  (-39.427,  -2.663,  13.926)  ( 0.00,  0.00,  0.01)
174:     vdw     (  9.955,   0.661,  -2.710)  (  9.955,   0.661,  -2.710)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.598,   0.279,   0.145)  ( -0.598,   0.279,   0.145)  ( 0.00,  0.00,  0.00)
174:  8       ( 45.410,  31.974, 493.709)  ( 45.471,  32.044, 493.748)  ( 0.13,  0.22,  0.01)
175:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
175:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
175:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
175:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
175:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
175:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
175:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
175:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
175: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
175:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
175:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
175:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
175:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
175:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
175: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
175:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
175:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
175:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
175:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
175:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
175: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
175:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
175:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
175:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dfp_0l7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dgg_i76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dgo_0jw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dgr_3lv.sdf
174:     bond    (-37.015, 339.079, 109.544)  (-36.964, 339.142, 109.578)  ( 0.14,  0.02,  0.03)
174:     angle   ( 63.762, -301.464, 382.571)  ( 63.773, -301.456, 382.577)  ( 0.02,  0.00,  0.00)
174:     torsion ( 14.673,   1.679,  -0.383)  ( 14.672,   1.679,  -0.383)  ( 0.00,  0.00,  0.02)
174:     vdw     (  3.991,  -7.321,   1.976)  (  3.991,  -7.320,   1.976)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (360.867, 242.908, -676.023)  (360.927, 242.947, -675.950)  ( 0.02,  0.02,  0.01)
174:     bond    (152.916,   8.014, -198.640)  (152.966,   8.044, -198.571)  ( 0.03,  0.37,  0.03)
174:     angle   (227.853, 245.387, -443.490)  (227.864, 245.396, -443.485)  ( 0.00,  0.00,  0.00)
174:     torsion (-13.958, -16.520, -43.857)  (-13.958, -16.521, -43.857)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.702,   5.042,  10.533)  ( -5.702,   5.042,  10.533)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.242,   0.986,  -0.569)  ( -0.242,   0.986,  -0.569)  ( 0.00,  0.00,  0.00)
174: 10       (-111.605, -180.030, 561.474)  (-111.548, -179.947, 561.506)  ( 0.05,  0.05,  0.01)
174:     bond    ( 67.468,  54.576, -12.563)  ( 67.512,  54.651, -12.535)  ( 0.07,  0.14,  0.22)
174:     angle   (-184.159, -249.578, 505.421)  (-184.147, -249.570, 505.426)  ( 0.01,  0.00,  0.00)
174:     torsion ( 13.823,  16.842,  62.209)  ( 13.823,  16.842,  62.209)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.154,  -2.355,   6.685)  ( -9.154,  -2.355,   6.685)  ( 0.00,  0.00,  0.00)
174:     electro (  0.418,   0.486,  -0.279)  (  0.418,   0.486,  -0.279)  ( 0.00,  0.00,  0.00)
174: 11       ( 38.790, -27.584, -102.068)  ( 38.833, -27.533, -102.027)  ( 0.11,  0.18,  0.04)
174:     bond    (-120.065, -106.033,  79.009)  (-120.030, -105.994,  79.042)  ( 0.03,  0.04,  0.04)
174:     angle   (150.692,  64.751, -222.033)  (150.700,  64.762, -222.025)  ( 0.01,  0.02,  0.00)
174:     torsion (  7.707,  14.295,  42.537)  (  7.708,  14.295,  42.537)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.455,  -0.597,  -1.581)  (  0.455,  -0.597,  -1.581)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (315.995, -171.132, -664.068)  (316.042, -171.087, -664.013)  ( 0.01,  0.03,  0.01)
174:     bond    ( 87.522, -58.387, -171.625)  ( 87.557, -58.353, -171.583)  ( 0.04,  0.06,  0.02)
174:     angle   (229.808, -113.542, -492.188)  (229.819, -113.531, -492.175)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.960,   0.838,  -0.805)  ( -0.960,   0.839,  -0.805)  ( 0.04,  0.04,  0.01)
174:     vdw     ( -0.375,  -0.042,   0.550)  ( -0.375,  -0.042,   0.550)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (222.439, -937.863, 264.573)  (222.468, -937.828, 264.632)  ( 0.01,  0.00,  0.02)
174:     bond    (-46.368, -89.865,  59.959)  (-46.335, -89.841,  60.025)  ( 0.07,  0.03,  0.11)
174:     angle   (258.667, -818.948, 227.732)  (258.669, -818.936, 227.731)  ( 0.00,  0.00,  0.00)
174:     torsion (  9.754, -28.354, -26.126)  (  9.749, -28.354, -26.131)  ( 0.06,  0.00,  0.02)
174:     vdw     (  0.300,   0.067,   3.587)  (  0.300,   0.067,   3.587)  ( 0.00,  0.00,  0.00)
174:     electro (  0.085,  -0.764,  -0.579)  (  0.085,  -0.764,  -0.579)  ( 0.00,  0.00,  0.00)
174: 14       (-757.574, 461.942, 328.683)  (-757.618, 461.994, 328.644)  ( 0.01,  0.01,  0.01)
174:     bond    (  0.586, -45.719,   2.500)  (  0.597, -45.671,   2.514)  ( 0.66,  0.11,  0.57)
174:     angle   (-779.027, 502.723, 295.552)  (-779.044, 502.728, 295.532)  ( 0.00,  0.00,  0.01)
174:     torsion ( 18.184,   6.220,  25.946)  ( 18.147,   6.220,  25.912)  ( 0.20,  0.00,  0.13)
174:     vdw     (  2.459,  -1.220,   3.406)  (  2.459,  -1.220,   3.406)  ( 0.00,  0.00,  0.00)
174:     electro (  0.223,  -0.062,   1.279)  (  0.223,  -0.062,   1.279)  ( 0.00,  0.00,  0.00)
174: 15       ( 96.111, 521.505, -194.221)  ( 96.129, 521.512, -194.178)  ( 0.02,  0.00,  0.02)
174:     bond    (  1.977,   0.804,   3.060)  (  1.996,   0.807,   3.104)  ( 0.92,  0.24,  1.44)
174:     angle   (106.071, 506.715, -199.983)  (106.072, 506.720, -199.984)  ( 0.00,  0.00,  0.00)
174:     torsion (-10.804,  13.214,   3.508)  (-10.804,  13.214,   3.508)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dh0_mr8.sdf
175:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
175:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
175:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
175:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
175:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
175:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
175:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
175:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
175:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
175:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
175:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
175:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhf_0k6.sdf
177:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
177:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.910,  -7.772,   3.404)  ( -0.861,  -7.502,   3.120)  ( 4.50,  3.48,  8.32)
177:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
177:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
177:     torsion ( -2.513, -12.758,   5.361)  ( -2.513, -12.757,   5.361)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.329,  -1.737,   1.929)  ( -0.287,  -1.471,   1.641)  ( 1.39, 15.28, 14.93)
177:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
177:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
177:  8       ( -2.017,   6.847,   8.194)  ( -2.033,   7.367,   8.078)  ( 0.77,  7.59,  1.41)
177:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
177:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
177:     torsion ( -1.720,   6.773, -17.821)  ( -1.720,   6.773, -17.821)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.204,  -2.932,   0.925)  (  0.181,  -2.416,   0.801)  ( 0.45, 17.59, 11.54)
177:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
177:  9       (  2.585,  -3.819,  -7.637)  (  2.601,  -4.100,  -7.475)  ( 0.65,  7.38,  2.13)
177:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
177:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.307,   6.030,  -3.308)  ( -0.307,   6.030,  -3.308)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
177:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
177: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
177:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
177:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
177:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
177:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
177: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
177:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
177:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
177:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
177:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
177:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
177:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
177: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhl_0k7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhm_0kb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhn_0kc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dho_y09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhp_y07.sdf
174:     vdw     (  0.309,   2.550,  -1.323)  (  0.309,   2.550,  -1.323)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.443,  -1.778,   0.516)  ( -1.443,  -1.778,   0.516)  ( 0.00,  0.00,  0.00)
174: 16       (109.581, 246.406, -35.465)  (109.607, 246.412, -35.461)  ( 0.02,  0.00,  0.01)
174:     bond    ( 69.487, -11.705,  -1.559)  ( 69.514, -11.704,  -1.559)  ( 0.04,  0.01,  0.02)
174:     angle   ( 43.423, 262.571, -35.069)  ( 43.423, 262.575, -35.066)  ( 0.00,  0.00,  0.01)
174:     torsion (  0.063,   0.120,   1.925)  (  0.063,   0.120,   1.925)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.393,  -4.580,  -0.761)  ( -3.393,  -4.579,  -0.761)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (174.960, 176.025, -89.335)  (174.964, 176.039, -89.318)  ( 0.00,  0.01,  0.02)
174:     bond    (  0.067,  39.118,  41.485)  (  0.067,  39.131,  41.500)  ( 0.00,  0.03,  0.04)
174:     angle   (176.327, 138.802, -131.168)  (176.330, 138.803, -131.165)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.772,   0.580,  -0.545)  ( -0.772,   0.580,  -0.545)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.661,  -2.475,   0.894)  ( -0.661,  -2.474,   0.894)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (251.139, 191.328, 100.736)  (251.143, 191.342, 100.754)  ( 0.00,  0.01,  0.02)
174:     bond    (  2.181,  42.689, -46.478)  (  2.182,  42.701, -46.463)  ( 0.01,  0.03,  0.03)
174:     angle   (253.610, 151.426, 151.075)  (253.614, 151.427, 151.078)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.057,  -0.932,  -0.807)  (  1.057,  -0.932,  -0.807)  ( 0.01,  0.01,  0.00)
174:     vdw     ( -5.709,  -1.855,  -3.054)  ( -5.709,  -1.855,  -3.054)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 33.317,  57.884,  90.759)  ( 33.324,  57.892,  90.779)  ( 0.02,  0.01,  0.02)
174:     bond    ( 24.015, -31.052,  60.780)  ( 24.018, -31.047,  60.800)  ( 0.01,  0.02,  0.03)
174:     angle   ( 17.910,  79.100,  33.317)  ( 17.912,  79.103,  33.317)  ( 0.01,  0.00,  0.00)
174:     torsion (  2.826,  -0.063,  -1.148)  (  2.826,  -0.063,  -1.148)  ( 0.01,  0.00,  0.01)
174:     vdw     (-11.433,   9.899,  -2.189)  (-11.432,   9.899,  -2.189)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (112.100,  65.862,  54.803)  (112.104,  65.873,  54.824)  ( 0.00,  0.02,  0.04)
174:     bond    (  1.245,  49.479,  76.160)  (  1.245,  49.487,  76.180)  ( 0.03,  0.02,  0.03)
174:     angle   (100.726,  19.307, -14.190)  (100.729,  19.309, -14.189)  ( 0.00,  0.01,  0.01)
174:     torsion (  1.154,   1.529,  -1.012)  (  1.154,   1.529,  -1.012)  ( 0.00,  0.01,  0.00)
174:     vdw     (  8.974,  -4.452,  -6.155)  (  8.975,  -4.452,  -6.155)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (-71.223, -54.362, -54.764)  (-71.217, -54.338, -54.760)  ( 0.01,  0.04,  0.01)
174:     bond    (-26.461, -65.057,  11.205)  (-26.457, -65.034,  11.206)  ( 0.02,  0.04,  0.01)
174:     angle   (-46.537,   7.124, -68.522)  (-46.535,   7.124, -68.519)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.326,   0.906,   4.487)  ( -0.326,   0.906,   4.487)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.100,   2.666,  -1.934)  (  2.101,   2.666,  -1.934)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-68.853, -136.453, -261.776)  (-68.828, -136.448, -261.770)  ( 0.04,  0.00,  0.00)
174:     bond    ( 54.419, -15.692, -19.606)  ( 54.442, -15.690, -19.603)  ( 0.04,  0.01,  0.02)
174:     angle   (-123.941, -124.844, -244.293)  (-123.939, -124.841, -244.290)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.075,   0.834,  -0.459)  (  0.075,   0.834,  -0.459)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.594,   3.249,   2.581)  (  0.594,   3.249,   2.582)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
175:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
175:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
175:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
175:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
175:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
175:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
175: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
175:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
175:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
175:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
175:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
175:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
175: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
175:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
175:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
175:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
175:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
175:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
175: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
175:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
175:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
175:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhq_y06.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhr_y04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhs_y03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dht_0kg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dhu_0kh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4di5_1ga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4di5_dpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4di8_0gy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dig_mu2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dij_blf.sdf
177:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
177:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
177:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
177:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
177:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
177:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
177: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
177:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
177:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
177:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
177:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
177: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
177:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
177:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
177:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
177:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
177:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
177: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
177:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
177:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
177:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
177:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
177:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
177: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
177:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
177:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
177:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
177:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
177:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
177:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
177:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
174: 23       ( 75.683, -117.846, -173.470)  ( 75.689, -117.836, -173.450)  ( 0.01,  0.01,  0.01)
174:     bond    (-20.746,  33.175, -62.178)  (-20.744,  33.181, -62.158)  ( 0.01,  0.02,  0.03)
174:     angle   ( 97.257, -154.243, -114.792)  ( 97.260, -154.239, -114.792)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.481,  -0.245,   0.030)  ( -0.481,  -0.245,   0.030)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.346,   3.467,   3.470)  ( -0.346,   3.467,   3.470)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (105.149, -66.430, -206.326)  (105.157, -66.407, -206.322)  ( 0.01,  0.03,  0.00)
174:     bond    (-19.670, -43.647,  -7.176)  (-19.665, -43.624,  -7.175)  ( 0.02,  0.05,  0.01)
174:     angle   (126.570, -23.893, -201.648)  (126.573, -23.893, -201.644)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.145,  -0.078,   0.078)  (  0.145,  -0.078,   0.078)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.896,   1.189,   2.419)  ( -1.896,   1.189,   2.419)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-44.220,  12.148,  -7.731)  (-44.210,  12.167,  -7.724)  ( 0.02,  0.16,  0.08)
174:     bond    ( -3.943,  -6.899,   3.822)  ( -3.937,  -6.881,   3.827)  ( 0.15,  0.26,  0.14)
174:     angle   (-38.340,  11.268, -19.179)  (-38.337,  11.269, -19.179)  ( 0.01,  0.01,  0.00)
174:     torsion ( -2.978,   6.930,   9.397)  ( -2.978,   6.930,   9.397)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.663,   0.445,  -1.262)  (  1.663,   0.445,  -1.262)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.622,   0.404,  -0.508)  ( -0.622,   0.404,  -0.508)  ( 0.00,  0.00,  0.00)
174: 26       ( 18.457, -48.202,   0.427)  ( 18.480, -48.196,   0.433)  ( 0.12,  0.01,  0.25)
174:     bond    (  3.862,   0.983,   1.869)  (  3.884,   0.985,   1.875)  ( 0.58,  0.14,  0.28)
174:     angle   ( -7.815, -37.552,  35.916)  ( -7.815, -37.548,  35.917)  ( 0.00,  0.01,  0.00)
174:     torsion ( 20.997,  -8.192, -39.206)  ( 20.997,  -8.192, -39.206)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.854,  -2.630,   1.421)  (  0.854,  -2.630,   1.421)  ( 0.00,  0.00,  0.00)
174:     electro (  0.559,  -0.810,   0.426)  (  0.559,  -0.810,   0.426)  ( 0.00,  0.00,  0.00)
174: 27       (-29.738,  40.590,   5.549)  (-29.733,  40.591,   5.577)  ( 0.02,  0.00,  0.50)
174:     bond    ( -1.957,   0.297,  -8.240)  ( -1.955,   0.297,  -8.213)  ( 0.08,  0.00,  0.33)
174:     angle   (-21.621,  52.996,   7.064)  (-21.618,  52.998,   7.064)  ( 0.01,  0.00,  0.00)
174:     torsion (-11.269, -11.104,   2.280)  (-11.269, -11.104,   2.281)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.798,  -0.733,   3.981)  (  3.798,  -0.733,   3.981)  ( 0.00,  0.00,  0.00)
174:     electro (  1.311,  -0.867,   0.464)  (  1.311,  -0.867,   0.464)  ( 0.00,  0.00,  0.00)
174: 28       (-136.891, 245.087, -127.495)  (-136.870, 245.092, -127.486)  ( 0.02,  0.00,  0.01)
174:     bond    ( -4.603,  -0.834,   3.102)  ( -4.584,  -0.834,   3.111)  ( 0.42,  0.05,  0.29)
174:     angle   (-130.627, 233.442, -129.868)  (-130.626, 233.446, -129.868)  ( 0.00,  0.00,  0.00)
174:     torsion ( -3.357,  13.709,  -1.271)  ( -3.357,  13.709,  -1.271)  ( 0.00,  0.00,  0.01)
174:     vdw     (  2.285,  -1.520,   1.199)  (  2.285,  -1.520,   1.199)  ( 0.01,  0.01,  0.01)
174:     electro ( -0.589,   0.290,  -0.657)  ( -0.589,   0.290,  -0.657)  ( 0.00,  0.00,  0.00)
174: 29       ( 62.680,  48.907,  79.728)  ( 62.701,  48.917,  79.731)  ( 0.03,  0.02,  0.00)
174:     bond    ( 82.859,  48.522,  11.969)  ( 82.880,  48.529,  11.970)  ( 0.02,  0.02,  0.01)
174:     angle   (-15.838,   8.500,  75.187)  (-15.837,   8.502,  75.190)  ( 0.01,  0.03,  0.00)
174:     torsion (  1.056,  -1.007,  -3.232)  (  1.056,  -1.007,  -3.232)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -5.397,  -7.108,  -4.197)  ( -5.397,  -7.108,  -4.197)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (-75.889,  12.904, 204.837)  (-75.885,  12.931, 204.841)  ( 0.01,  0.21,  0.00)
174:     bond    ( -7.796,  60.835,  11.399)  ( -7.795,  60.862,  11.401)  ( 0.01,  0.04,  0.01)
174:     angle   (-73.100, -46.077, 195.991)  (-73.097, -46.076, 195.995)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dit_0kd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4djh_jdc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4djq_m86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4djr_0kj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4djv_0km.sdf
175:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
175: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
175:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
175:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
175:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
175:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
175:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
175:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
175:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
175:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
175:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
175:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
175:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
175:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
175: ok 30 # gradients 
175: ok 31 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
174:     torsion (  2.398,   0.066,   1.288)  (  2.398,   0.066,   1.288)  ( 0.01,  0.00,  0.00)
174:     vdw     (  2.608,  -1.920,  -3.842)  (  2.609,  -1.920,  -3.842)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-117.716,  90.678, 152.303)  (-117.707,  90.684, 152.325)  ( 0.01,  0.01,  0.01)
174:     bond    ( 27.141, -14.457,  53.610)  ( 27.147, -14.455,  53.631)  ( 0.02,  0.01,  0.04)
174:     angle   (-146.486, 105.766, 102.653)  (-146.482, 105.769, 102.653)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.366,  -0.637,   0.013)  ( -0.366,  -0.637,   0.013)  ( 0.00,  0.01,  0.00)
174:     vdw     (  1.994,   0.006,  -3.973)  (  1.994,   0.006,  -3.973)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       (-50.224,  82.100, 196.063)  (-50.199,  82.107, 196.068)  ( 0.05,  0.01,  0.00)
174:     bond    (-55.346, -19.687,  12.099)  (-55.323, -19.684,  12.101)  ( 0.04,  0.02,  0.01)
174:     angle   (  4.679, 101.096, 185.844)  (  4.679, 101.100, 185.848)  ( 0.01,  0.00,  0.00)
174:     torsion ( -0.331,   0.679,  -0.408)  ( -0.331,   0.679,  -0.408)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.775,   0.012,  -1.473)  (  0.775,   0.012,  -1.473)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       (408.847, -165.313, -419.480)  (408.832, -165.278, -419.494)  ( 0.00,  0.02,  0.00)
174:     bond    ( 49.599, 130.501, -58.048)  ( 49.604, 130.533, -58.041)  ( 0.01,  0.02,  0.01)
174:     angle   (371.322, -295.799, -347.892)  (371.314, -295.795, -347.900)  ( 0.00,  0.00,  0.00)
174:     torsion (-12.248,  -0.841, -12.358)  (-12.260,  -0.841, -12.370)  ( 0.10,  0.00,  0.10)
174:     vdw     ( -1.245,  -1.183,  -0.414)  ( -1.245,  -1.183,  -0.414)  ( 0.00,  0.00,  0.00)
174:     electro (  1.420,   2.008,  -0.769)  (  1.420,   2.008,  -0.769)  ( 0.00,  0.00,  0.00)
174: ok 30 # gradients 
174: ok 31 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( 46.073, -53.603,   1.779)  ( 46.121, -53.554,   1.827)  ( 0.11,  0.09,  2.70)
174:     bond    ( 56.033,   2.173,  18.600)  ( 56.070,   2.210,  18.636)  ( 0.06,  1.67,  0.20)
174:     angle   ( -7.353, -49.796,  -8.847)  ( -7.340, -49.783,  -8.836)  ( 0.17,  0.03,  0.13)
174:     torsion (  0.938,   1.611,  -3.622)  (  0.938,   1.611,  -3.621)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.546,  -7.591,  -4.351)  ( -3.546,  -7.591,  -4.351)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (141.043, 179.752, 117.469)  (141.110, 179.826, 117.486)  ( 0.05,  0.04,  0.01)
174:     bond    ( 77.454, 158.423,  80.136)  ( 77.508, 158.488,  80.147)  ( 0.07,  0.04,  0.01)
174:     angle   ( 65.044,  21.210,  39.213)  ( 65.057,  21.218,  39.216)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.130,   0.532,  -2.605)  (  0.131,   0.533,  -2.601)  ( 0.00,  0.02,  0.13)
174:     vdw     ( -1.646,  -0.358,   0.422)  ( -1.646,  -0.358,   0.422)  ( 0.01,  0.00,  0.00)
174:     electro (  0.060,  -0.055,   0.302)  (  0.060,  -0.055,   0.302)  ( 0.00,  0.00,  0.00)
174:  3       ( -8.226, -36.206,  -9.656)  ( -8.220, -36.181,  -9.652)  ( 0.07,  0.07,  0.04)
174:     bond    (-11.345, -33.468,   2.727)  (-11.342, -33.443,   2.727)  ( 0.02,  0.07,  0.00)
174:     angle   (  5.420,  -2.848, -12.376)  (  5.423,  -2.848, -12.372)  ( 0.06,  0.01,  0.03)
174:     torsion (  0.012,  -0.008,  -0.042)  (  0.012,  -0.008,  -0.042)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.313,   0.117,   0.035)  ( -2.313,   0.117,   0.035)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-33.035,  14.265,  14.129)  (-33.023,  14.277,  14.141)  ( 0.04,  0.08,  0.09)
174:     bond    (-20.220,  20.248,  21.069)  (-20.211,  20.257,  21.079)  ( 0.04,  0.04,  0.05)
174:     angle   ( 14.957,  14.055,   0.831)  ( 14.959,  14.057,   0.834)  ( 0.01,  0.02,  0.20)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4djw_0kp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4djy_0kr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dk5_0ko.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dk7_0ks.sdf
177:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
177:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
177:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
177:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
177:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
177:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
177:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
177:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
177:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
177:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
177: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
177:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
177:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
177:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
177:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
177: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
177:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
177:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
177:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
177:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
177: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
177:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
177:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
177:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
177:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
177:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dk8_0kt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dld_tzg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dlj_6rg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dlp_mse.sdf
174:     torsion ( -0.004,  -0.021,   0.016)  ( -0.004,  -0.021,   0.016)  ( 0.00,  0.00,  0.00)
174:     vdw     (-27.768, -20.017,  -7.788)  (-27.767, -20.016,  -7.788)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( -9.060,   9.846, -36.923)  ( -9.057,   9.853, -36.898)  ( 0.04,  0.06,  0.07)
174:     bond    ( -3.550,  11.947, -36.602)  ( -3.550,  11.950, -36.577)  ( 0.00,  0.02,  0.07)
174:     angle   ( -5.400,  -2.196,  -0.193)  ( -5.397,  -2.193,  -0.193)  ( 0.06,  0.17,  0.01)
174:     torsion ( -0.006,   0.045,   0.015)  ( -0.006,   0.045,   0.015)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.104,   0.051,  -0.143)  ( -0.104,   0.051,  -0.143)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-51.563,  32.405,   2.018)  (-51.534,  32.444,   2.022)  ( 0.06,  0.12,  0.19)
174:     bond    (-36.513,  43.141,   9.825)  (-36.486,  43.178,   9.827)  ( 0.07,  0.09,  0.02)
174:     angle   ( -8.815,  -6.178,  -5.581)  ( -8.812,  -6.177,  -5.580)  ( 0.03,  0.02,  0.01)
174:     torsion (  1.264,   1.990,  -4.052)  (  1.264,   1.990,  -4.051)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -7.339,  -7.843,   1.278)  ( -7.339,  -7.842,   1.278)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.160,   1.295,   0.548)  ( -0.160,   1.295,   0.548)  ( 0.00,  0.00,  0.00)
174:  7       ( 18.571, -115.444,  31.887)  ( 18.626, -115.390,  31.906)  ( 0.30,  0.05,  0.06)
174:     bond    (103.923, -105.456,  11.336)  (103.966, -105.413,  11.349)  ( 0.04,  0.04,  0.11)
174:     angle   (-80.727,   4.516, -18.236)  (-80.715,   4.528, -18.234)  ( 0.01,  0.25,  0.01)
174:     torsion ( -7.906, -15.760,  38.484)  ( -7.906, -15.760,  38.488)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.828,   0.979,   1.088)  (  3.829,   0.979,   1.088)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.547,   0.276,  -0.785)  ( -0.547,   0.276,  -0.785)  ( 0.00,  0.00,  0.00)
174:  8       ( 98.492,  -8.381,  -8.747)  ( 98.510,  -8.365,  -8.743)  ( 0.02,  0.18,  0.04)
174:     bond    ( 57.396, -52.111, -14.395)  ( 57.412, -52.098, -14.394)  ( 0.03,  0.02,  0.01)
174:     angle   ( 15.918,  14.631,  10.536)  ( 15.920,  14.633,  10.537)  ( 0.01,  0.01,  0.01)
174:     torsion (  1.353,   5.680, -15.166)  (  1.353,   5.681, -15.165)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 23.274,  24.518,  10.059)  ( 23.275,  24.518,  10.059)  ( 0.00,  0.00,  0.00)
174:     electro (  0.550,  -1.099,   0.220)  (  0.550,  -1.099,   0.220)  ( 0.00,  0.00,  0.00)
174:  9       (-196.889, -140.673, 168.386)  (-196.834, -140.622, 168.422)  ( 0.03,  0.04,  0.02)
174:     bond    (-117.027, -220.319,  72.628)  (-116.983, -220.279,  72.656)  ( 0.04,  0.02,  0.04)
174:     angle   (-63.685,  98.264, 121.297)  (-63.675,  98.275, 121.304)  ( 0.02,  0.01,  0.01)
174:     torsion (-17.120, -19.452, -26.178)  (-17.120, -19.452, -26.178)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.943,   0.833,   0.640)  (  0.943,   0.833,   0.640)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (232.993, -84.406,   3.415)  (233.034, -84.370,   3.466)  ( 0.02,  0.04,  1.50)
174:     bond    ( 65.211,   0.399, 148.702)  ( 65.240,   0.426, 148.746)  ( 0.04,  1.07,  0.03)
174:     angle   (177.340, -80.008, -125.110)  (177.352, -79.999, -125.103)  ( 0.01,  0.01,  0.01)
174:     torsion (-11.166,  -6.616, -21.328)  (-11.166,  -6.616, -21.328)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.608,   1.819,   1.151)  (  1.608,   1.819,   1.151)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-254.765, 436.986, -67.608)  (-254.707, 437.012, -67.559)  ( 0.02,  0.01,  0.07)
174:     bond    (-120.639, 134.169,  15.514)  (-120.591, 134.184,  15.547)  ( 0.04,  0.01,  0.21)
174:     angle   (-167.688, 157.180, -45.457)  (-167.679, 157.192, -45.442)  ( 0.01,  0.01,  0.03)
174:     torsion ( 33.886, 145.372, -37.446)  ( 33.886, 145.371, -37.446)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.324,   0.265,  -0.218)  ( -0.324,   0.265,  -0.218)  ( 0.00,  0.00,  0.00)
175:  1       ( -0.056,  -0.051,   0.261)  ( -0.002,   0.035,   0.079)  ( 0.30,  0.44,  4.74)
175:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
175:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
175:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
175:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
175:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
175:  2       (  0.014,   0.361,  -0.764)  ( -0.121,   0.105,  -0.143)  ( 0.18,  9.21, 47.41)
175:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
175:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
175:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
175:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
175:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
175:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
175:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
175:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.046,  -0.324,   0.524)  (  0.044,  -0.163,   0.161)  ( 0.41,  5.19, 19.00)
175:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
175:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dm6_ttb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dmn_0l9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dnj_ann.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4do4_djn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dob_grc.sdf
175:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
175:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
175:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
175:  7       (  0.163,   0.254,  -0.307)  (  0.096,   0.140,  -0.063)  ( 1.10,  2.91,  7.49)
175:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
175:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
175:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
175:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
175:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
175:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.072,  -0.167,   0.304)  ( -0.035,  -0.084,   0.148)  ( 0.26,  1.38,  4.74)
175:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
175:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
175:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
175:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.704,  -0.671,  -0.056)  (  0.394,   0.371,   0.139)  (77.26, 69.84,  1.09)
175:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
175:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
175:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
175:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
175:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
175:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.145,   0.204,   0.151)  ( -0.062,   0.014,  -0.015)  ( 1.21,  3.88,  2.49)
175:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
175:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
175:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
175:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
175:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
175:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.193,  -2.395,  -0.387)  (  0.210,  -0.194,   0.018)  ( 7.77, 91.89, 15.69)
175:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
175:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
175:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
175:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
175:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
175:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
175: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-22.088, -22.217, -29.969)  (-22.084, -22.208, -29.948)  ( 0.02,  0.04,  0.07)
174:     bond    ( -6.016, -21.410, -36.088)  ( -6.016, -21.403, -36.068)  ( 0.01,  0.03,  0.06)
174:     angle   (-30.444,  -0.957,   5.643)  (-30.441,  -0.955,   5.644)  ( 0.01,  0.19,  0.01)
174:     torsion (  4.110,  -6.214,   3.002)  (  4.110,  -6.214,   3.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.262,   6.364,  -2.526)  ( 10.262,   6.364,  -2.526)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (  8.293, -133.079,  62.973)  (  8.310, -133.062,  62.979)  ( 0.21,  0.01,  0.01)
174:     bond    ( 30.933, -138.777,  61.028)  ( 30.949, -138.763,  61.031)  ( 0.05,  0.01,  0.01)
174:     angle   (-18.060,  -2.085, -16.096)  (-18.059,  -2.083, -16.093)  ( 0.01,  0.13,  0.02)
174:     torsion ( -2.188,   6.410,  20.016)  ( -2.188,   6.410,  20.016)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.392,   1.374,  -1.975)  ( -2.392,   1.374,  -1.975)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (148.340, -196.719, -384.370)  (148.378, -196.698, -384.273)  ( 0.03,  0.01,  0.03)
174:     bond    ( 78.126, 114.902, -393.965)  ( 78.154, 114.917, -393.878)  ( 0.04,  0.01,  0.02)
174:     angle   ( 98.473, -242.933,  -3.874)  ( 98.482, -242.926,  -3.865)  ( 0.01,  0.00,  0.23)
174:     torsion (-17.678, -65.927,  16.403)  (-17.677, -65.926,  16.404)  ( 0.00,  0.00,  0.00)
174:     vdw     (-11.821,  -1.517,  -2.824)  (-11.820,  -1.517,  -2.824)  ( 0.00,  0.00,  0.00)
174:     electro (  1.239,  -1.245,  -0.111)  (  1.239,  -1.245,  -0.111)  ( 0.00,  0.00,  0.00)
174: 15       ( 55.040,  12.071,   3.767)  ( 55.044,  12.097,   3.772)  ( 0.01,  0.21,  0.11)
174:     bond    (  0.427,  11.115,   3.347)  (  0.427,  11.140,   3.349)  ( 0.00,  0.23,  0.07)
174:     angle   ( 47.344,  -0.958,  -2.857)  ( 47.348,  -0.958,  -2.855)  ( 0.01,  0.02,  0.07)
174:     torsion (  3.463,  -0.198,   0.216)  (  3.463,  -0.198,   0.216)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.806,   2.112,   3.061)  (  3.806,   2.112,   3.061)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (-38.258,  87.065, 123.842)  (-38.253,  87.068, 123.903)  ( 0.01,  0.00,  0.05)
174:     bond    (-23.671, -14.717, 113.273)  (-23.669, -14.716, 113.334)  ( 0.01,  0.00,  0.05)
174:     angle   (-29.611,  71.263,   3.070)  (-29.608,  71.265,   3.070)  ( 0.01,  0.00,  0.00)
174:     torsion ( 19.803,  30.719,   8.124)  ( 19.803,  30.720,   8.125)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.022,  -0.700,  -0.473)  ( -4.022,  -0.700,  -0.473)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.757,   0.500,  -0.153)  ( -0.757,   0.500,  -0.153)  ( 0.00,  0.00,  0.00)
174: 17       (-124.922, 160.182, -83.462)  (-124.880, 160.221, -83.420)  ( 0.03,  0.02,  0.05)
174:     bond    (-131.449,  83.564, -63.177)  (-131.416,  83.592, -63.143)  ( 0.03,  0.03,  0.05)
174:     angle   (  8.025,  70.698, -17.007)  (  8.034,  70.708, -16.998)  ( 0.11,  0.01,  0.05)
174:     torsion ( -0.745,   6.167,  -3.535)  ( -0.745,   6.167,  -3.535)  ( 0.03,  0.01,  0.01)
174:     vdw     ( -0.753,  -0.247,   0.257)  ( -0.753,  -0.247,   0.257)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-94.970, -271.612,  65.923)  (-94.923, -271.564,  65.973)  ( 0.05,  0.02,  0.08)
174:     bond    ( -5.806, -112.325,   7.274)  ( -5.770, -112.289,   7.312)  ( 0.63,  0.03,  0.52)
174:     angle   (-83.027, -71.036,  27.950)  (-83.017, -71.025,  27.962)  ( 0.01,  0.02,  0.04)
174:     torsion ( -3.416, -86.985,  30.001)  ( -3.416, -86.985,  30.001)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -2.720,  -1.265,   0.697)  ( -2.720,  -1.265,   0.697)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 47.998, -93.172, -63.432)  ( 48.047, -93.123, -63.383)  ( 0.10,  0.05,  0.08)
174:     bond    (  3.510,   0.952,  -4.414)  (  3.546,   0.988,  -4.377)  ( 1.03,  3.45,  0.83)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dpd_dhf.sdf
177:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
177:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
177:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
177:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
177:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
177:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
177:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
177:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
177:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
177:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
177:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
177:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
177:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
177:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
177:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
177:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
177:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
177:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
177:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
177:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
177:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
177:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
177:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
177:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
177:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dph_p65.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dq4_eic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4drj_rap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4drk_i63.sdf
174:     angle   ( 50.607, -90.344, -54.175)  ( 50.619, -90.331, -54.163)  ( 0.02,  0.01,  0.02)
174:     torsion ( -4.961,  -2.567,  -0.636)  ( -4.961,  -2.567,  -0.636)  ( 0.01,  0.01,  0.02)
174:     vdw     ( -1.158,  -1.212,  -4.207)  ( -1.158,  -1.212,  -4.207)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (104.993,  46.842,  70.465)  (105.043,  46.890,  70.514)  ( 0.05,  0.10,  0.07)
174:     bond    ( 17.708,  15.746,  11.019)  ( 17.745,  15.782,  11.055)  ( 0.21,  0.23,  0.33)
174:     angle   ( 78.058,  33.218,  62.190)  ( 78.070,  33.230,  62.202)  ( 0.02,  0.04,  0.02)
174:     torsion (  6.126,  -5.883,  -3.243)  (  6.126,  -5.883,  -3.243)  ( 0.00,  0.01,  0.01)
174:     vdw     (  3.102,   3.761,   0.500)  (  3.102,   3.761,   0.500)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (146.255, 149.536, 151.376)  (146.280, 149.618, 151.417)  ( 0.02,  0.05,  0.03)
174:     bond    ( 40.147, 106.784,  65.656)  ( 40.166, 106.856,  65.689)  ( 0.05,  0.07,  0.05)
174:     angle   ( 96.179,  38.674,  82.359)  ( 96.185,  38.684,  82.366)  ( 0.01,  0.03,  0.01)
174:     torsion ( 15.474,   5.590,  -2.941)  ( 15.475,   5.590,  -2.940)  ( 0.01,  0.00,  0.02)
174:     vdw     ( -4.952,  -1.638,   6.182)  ( -4.952,  -1.638,   6.183)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.594,   0.125,   0.119)  ( -0.594,   0.125,   0.119)  ( 0.00,  0.00,  0.00)
174: 22       ( 14.363,  24.556,  -5.998)  ( 14.367,  24.566,  -5.977)  ( 0.03,  0.04,  0.35)
174:     bond    ( -0.141,   0.953,   1.628)  ( -0.140,   0.960,   1.649)  ( 0.00,  0.67,  1.27)
174:     angle   ( 20.638,  18.771,  -9.175)  ( 20.641,  18.773,  -9.175)  ( 0.01,  0.01,  0.01)
174:     torsion ( -8.277,   7.711,  -5.195)  ( -8.277,   7.711,  -5.195)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.141,  -2.878,   6.744)  (  2.142,  -2.878,   6.745)  ( 0.04,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (-57.516, -332.950, -98.332)  (-57.497, -332.903, -98.310)  ( 0.03,  0.01,  0.02)
174:     bond    (-19.487, -259.679, -59.892)  (-19.470, -259.639, -59.873)  ( 0.08,  0.02,  0.03)
174:     angle   (-31.577, -68.046, -46.314)  (-31.575, -68.039, -46.312)  ( 0.00,  0.01,  0.00)
174:     torsion ( -9.292,  -1.338,   8.076)  ( -9.291,  -1.338,   8.077)  ( 0.01,  0.00,  0.01)
174:     vdw     (  2.462,  -4.002,  -0.004)  (  2.462,  -4.001,  -0.004)  ( 0.00,  0.00,  0.00)
174:     electro (  0.378,   0.115,  -0.199)  (  0.378,   0.115,  -0.199)  ( 0.00,  0.00,  0.00)
174: 24       ( -1.382, -37.977,   2.868)  ( -1.368, -37.964,   2.876)  ( 0.97,  0.04,  0.30)
174:     bond    ( 15.002, -14.886,  10.387)  ( 15.013, -14.875,  10.392)  ( 0.07,  0.07,  0.05)
174:     angle   (-18.866, -26.610, -10.838)  (-18.864, -26.608, -10.835)  ( 0.01,  0.01,  0.03)
174:     torsion ( -0.221,   0.010,   0.333)  ( -0.221,   0.010,   0.333)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.704,   3.510,   2.986)  (  2.704,   3.510,   2.986)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-11.589,   7.655, -36.391)  (-11.578,   7.666, -36.377)  ( 0.09,  0.15,  0.04)
174:     bond    ( 10.819,  11.402, -12.976)  ( 10.827,  11.411, -12.965)  ( 0.07,  0.08,  0.09)
174:     angle   (-25.163,  -7.263, -27.403)  (-25.160,  -7.260, -27.400)  ( 0.01,  0.04,  0.01)
174:     torsion (  0.025,  -0.031,  -0.006)  (  0.025,  -0.031,  -0.006)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.729,   3.546,   3.994)  (  2.729,   3.546,   3.994)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (-35.365,  12.544,   1.991)  (-35.358,  12.557,   2.007)  ( 0.02,  0.10,  0.80)
174:     bond    ( -7.469,  12.487,  14.722)  ( -7.466,  12.497,  14.736)  ( 0.05,  0.08,  0.10)
174:     angle   (-36.168,  -7.559, -11.915)  (-36.165,  -7.556, -11.913)  ( 0.01,  0.03,  0.02)
174:     torsion ( -0.050,   0.462,  -0.417)  ( -0.049,   0.462,  -0.417)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.322,   7.154,  -0.399)  (  8.322,   7.154,  -0.399)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4drn_0mc.sdf
175:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
175:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
175:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
175:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
175:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
175: 14       (  3.917,   5.394,   1.410)  ( -0.341,   0.047,  -0.005)  (108.71, 99.13, 100.32)
175:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
175:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
175:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
175:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
175:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
175:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
175:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
175: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
175:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
175:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -2.750,  -3.359,  -1.104)  ( -0.093,  -0.188,  -0.129)  (96.60, 94.39, 88.36)
175:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
175:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
175:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
175:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
175:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
175:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
175: 17       (  0.022,  -0.029,  -0.074)  (  0.027,  -0.025,  -0.069)  ( 0.01,  0.01,  0.03)
175:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
175:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
175:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
175:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dro_0md.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4drq_0os.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dsa_d1c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dsc_a8s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dsy_0lo.sdf
177:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
177:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
177:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
177:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
177:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
177:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
177:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
177: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
177:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
177:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
177:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
177:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
177:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
177:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
177: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
177:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
177:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
177:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
177: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
177:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
177:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
177:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
177:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
177:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
177:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
177: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
177:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
177:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dsz_dc3.sdf
175:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
175:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.527,   0.717,   0.247)  ( -0.131,  -0.014,  -0.098)  (20.83, 52.36,  8.52)
175:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
175:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
175:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
175:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
175:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
175: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
175:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
175:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
175:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
175:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
175:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
175:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
175:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
175:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  1.073,   0.070,  -0.862)  (  0.111,  -0.108,  -0.067)  (89.62,  1.25, 68.53)
175:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
175:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
175:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
175:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
175:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
175:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
175:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
175: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
175:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
175:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
175:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (  4.763,  -9.346,  37.404)  (  4.777,  -9.332,  37.411)  ( 0.31,  0.15,  0.02)
174:     bond    ( 14.702, -14.220,   7.906)  ( 14.714, -14.208,   7.909)  ( 0.08,  0.08,  0.04)
174:     angle   (-10.743,   9.005,  36.160)  (-10.741,   9.007,  36.163)  ( 0.02,  0.02,  0.01)
174:     torsion ( -1.890,  -1.759,   0.357)  ( -1.890,  -1.759,   0.357)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.694,  -2.372,  -7.018)  (  2.694,  -2.372,  -7.018)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (-42.977,   6.178,   6.639)  (-42.962,   6.188,   6.648)  ( 0.04,  0.17,  0.14)
174:     bond    (-16.447, -12.459, -11.230)  (-16.434, -12.451, -11.224)  ( 0.08,  0.06,  0.06)
174:     angle   (-29.289,  19.160,  21.622)  (-29.287,  19.162,  21.625)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.328,   1.908,  -1.636)  ( -0.328,   1.908,  -1.636)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.087,  -2.431,  -2.117)  (  3.087,  -2.431,  -2.117)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       ( -7.405,  39.134,  -1.182)  ( -7.395,  39.145,  -1.167)  ( 0.13,  0.03,  1.25)
174:     bond    (  8.732,  10.230, -12.436)  (  8.739,  10.238, -12.423)  ( 0.07,  0.08,  0.10)
174:     angle   (-18.082,  33.209,  14.652)  (-18.079,  33.212,  14.654)  ( 0.02,  0.01,  0.01)
174:     torsion (  1.576,  -0.176,   0.963)  (  1.576,  -0.176,   0.963)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.370,  -4.129,  -4.362)  (  0.370,  -4.129,  -4.361)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( -0.063, 275.793,  24.986)  ( -0.057, 275.833,  24.991)  ( 0.04,  0.01,  0.02)
174:     bond    (-61.451, 258.293, -33.425)  (-61.448, 258.332, -33.423)  ( 0.01,  0.02,  0.01)
174:     angle   ( 35.883,  14.142,  43.329)  ( 35.884,  14.142,  43.330)  ( 0.00,  0.00,  0.00)
174:     torsion (  8.079,   1.013,  -7.023)  (  8.080,   1.013,  -7.022)  ( 0.01,  0.00,  0.01)
174:     vdw     ( 20.022,   2.547,  24.873)  ( 20.022,   2.547,  24.873)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.595,  -0.201,  -2.767)  ( -2.595,  -0.201,  -2.767)  ( 0.00,  0.00,  0.00)
174: 31       (-77.921,  40.028, -66.070)  (-77.916,  40.077, -66.053)  ( 0.01,  0.12,  0.03)
174:     bond    (  0.512,   2.123,   1.160)  (  0.515,   2.172,   1.174)  ( 0.14,  2.27,  1.22)
174:     angle   (-49.362,  40.654, -53.541)  (-49.360,  40.655, -53.539)  ( 0.00,  0.00,  0.00)
174:     torsion (-10.996,  -2.287,   9.050)  (-10.996,  -2.287,   9.050)  ( 0.00,  0.00,  0.00)
174:     vdw     (-20.501,  -0.752, -25.565)  (-20.501,  -0.752, -25.565)  ( 0.00,  0.00,  0.00)
174:     electro (  2.426,   0.290,   2.826)  (  2.426,   0.290,   2.826)  ( 0.00,  0.00,  0.00)
174: ok 32 # gradients 
174: ok 33 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-115.635,  21.736,   0.189)  (-115.570,  21.769,   0.261)  ( 0.06,  0.15,  1.36)
174:     bond    (-155.155,  29.198,   0.313)  (-155.106,  29.225,   0.374)  ( 0.03,  0.09,  1.92)
174:     angle   ( 44.402,  -8.380,  -0.123)  ( 44.417,  -8.375,  -0.113)  ( 0.03,  0.06,  0.12)
174:     torsion (  0.002,   0.003,  -0.004)  (  0.002,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.883,   0.914,   0.003)  ( -4.883,   0.914,   0.003)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 89.152,  70.487, 132.498)  ( 89.246,  70.510, 132.551)  ( 0.11,  0.03,  0.04)
174:     bond    (124.343,  54.798, 117.293)  (124.423,  54.815, 117.335)  ( 0.06,  0.03,  0.04)
174:     angle   (-29.725,  15.057,  14.214)  (-29.711,  15.062,  14.224)  ( 0.05,  0.03,  0.07)
174:     torsion ( -0.151,  -0.795,   0.529)  ( -0.151,  -0.793,   0.530)  ( 0.00,  0.15,  0.05)
174:     vdw     ( -5.315,   1.427,   0.461)  ( -5.315,   1.427,   0.461)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dt2_0lv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dtc_d5c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dtk_7li.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4duh_rli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4duk_bzs.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-39.154, -178.592, -284.443)  (-39.068, -178.560, -284.388)  ( 0.22,  0.02,  0.02)
174:     bond    (-12.756, -187.831, -286.760)  (-12.680, -187.806, -286.714)  ( 0.59,  0.01,  0.02)
174:     angle   (-31.273,   4.375,   0.135)  (-31.263,   4.379,   0.144)  ( 0.03,  0.11,  0.12)
174:     torsion (  0.549,   2.943,  -1.961)  (  0.549,   2.945,  -1.961)  ( 0.00,  0.06,  0.04)
174:     vdw     (  4.325,   1.921,   4.143)  (  4.325,   1.921,   4.143)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-335.251,  62.938,   0.691)  (-335.166,  62.974,   0.761)  ( 0.03,  0.06,  4.83)
174:     bond    (-352.029,  66.166,   0.717)  (-351.957,  66.195,   0.779)  ( 0.02,  0.04,  4.44)
174:     angle   ( 14.375,  -2.725,  -0.053)  ( 14.387,  -2.720,  -0.046)  ( 0.08,  0.18,  0.04)
174:     torsion ( -0.006,  -0.053,   0.030)  ( -0.006,  -0.051,   0.031)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.409,  -0.450,  -0.003)  (  2.409,  -0.450,  -0.003)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( 27.195, 180.390, 283.496)  ( 27.286, 180.416, 283.552)  ( 0.33,  0.01,  0.02)
174:     bond    ( 55.263, 179.325, 285.907)  ( 55.344, 179.345, 285.953)  ( 0.15,  0.01,  0.02)
174:     angle   (-30.880,   7.204,  -0.115)  (-30.869,   7.209,  -0.105)  ( 0.03,  0.07,  0.11)
174:     torsion ( -0.520,  -2.785,   1.852)  ( -0.520,  -2.783,   1.852)  ( 0.00,  0.06,  0.04)
174:     vdw     (  3.332,  -3.355,  -4.148)  (  3.332,  -3.355,  -4.148)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       ( 58.413, -98.539, -133.073)  ( 58.501, -98.509, -133.020)  ( 0.15,  0.03,  0.04)
174:     bond    ( 96.824, -96.564, -117.957)  ( 96.897, -96.541, -117.916)  ( 0.08,  0.02,  0.04)
174:     angle   (-33.075,  -3.298, -14.167)  (-33.061,  -3.294, -14.157)  ( 0.04,  0.14,  0.07)
174:     torsion (  0.134,   0.729,  -0.489)  (  0.134,   0.731,  -0.488)  ( 0.00,  0.14,  0.04)
174:     vdw     ( -5.469,   0.595,  -0.460)  ( -5.469,   0.595,  -0.460)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (101.790, -18.208,  -0.641)  (101.875, -18.136,  -0.611)  ( 0.08,  0.40,  1.91)
174:     bond    (101.062, -18.055,  -0.655)  (101.135, -17.991,  -0.631)  ( 0.07,  0.35,  1.52)
174:     angle   (  0.148,  -0.048,   0.023)  (  0.161,  -0.040,   0.028)  ( 0.18,  0.04,  0.01)
174:     torsion ( -0.000,  -0.002,   0.001)  ( -0.000,  -0.002,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.581,  -0.104,  -0.010)  (  0.581,  -0.103,  -0.010)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-138.785, -13.091,  23.815)  (-138.689, -13.035,  23.838)  ( 0.07,  0.42,  0.10)
174:     bond    (-140.778,   3.720,  13.499)  (-140.696,   3.765,  13.516)  ( 0.06,  1.22,  0.13)
174:     angle   (  6.594, -24.351,  13.745)  (  6.606, -24.342,  13.748)  ( 0.19,  0.04,  0.02)
174:     torsion (  0.047,   0.249,   0.418)  (  0.047,   0.250,   0.420)  ( 0.00,  0.02,  0.09)
174:     vdw     ( -4.485,   7.790,  -4.162)  ( -4.485,   7.790,  -4.162)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.162,  -0.498,   0.315)  ( -0.162,  -0.498,   0.315)  ( 0.00,  0.00,  0.00)
174:  9       (299.960, -16.422, -23.891)  (300.048, -16.362, -23.869)  ( 0.03,  0.36,  0.09)
174:     bond    (133.911, -45.712,  12.147)  (133.988, -45.663,  12.163)  ( 0.06,  0.11,  0.13)
174:     angle   (160.936,  23.671, -32.124)  (160.948,  23.681, -32.121)  ( 0.01,  0.04,  0.01)
174:     torsion ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.009)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.102,   6.209,  -4.249)  (  5.102,   6.209,  -4.249)  ( 0.00,  0.00,  0.00)
174:     electro (  0.012,  -0.584,   0.346)  (  0.012,  -0.584,   0.346)  ( 0.00,  0.00,  0.00)
174: 10       (-233.469,  43.737,   0.095)  (-233.425,  43.797,   0.119)  ( 0.02,  0.14,  0.23)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dv8_0lx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dvi_2iw.sdf
175:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
175:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
175:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
175:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
175: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
175:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
175:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
175:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
175:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
175:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
175:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
175:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
175:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
175:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
175:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
175:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
175:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dvr_0ly.sdf
174:     bond    (-36.748,   6.966,  -0.083)  (-36.717,   7.023,  -0.062)  ( 0.08,  0.82,  0.18)
174:     angle   (-198.893,  37.174,   0.174)  (-198.881,  37.176,   0.175)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.001,   0.004,   0.006)  (  0.001,   0.004,   0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.172,  -0.406,  -0.002)  (  2.172,  -0.406,  -0.002)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (283.908, -93.274,  23.554)  (284.004, -93.222,  23.576)  ( 0.03,  0.06,  0.09)
174:     bond    (139.738,  -5.983, -12.161)  (139.823,  -5.943, -12.145)  ( 0.06,  0.68,  0.13)
174:     angle   (141.433, -80.187,  31.834)  (141.444, -80.176,  31.838)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.517,  -7.635,   4.243)  (  2.517,  -7.635,   4.243)  ( 0.00,  0.00,  0.00)
174:     electro (  0.221,   0.540,  -0.346)  (  0.221,   0.540,  -0.346)  ( 0.00,  0.00,  0.00)
174: 12       (-122.480,  60.874, -23.086)  (-122.391,  60.937, -23.063)  ( 0.07,  0.10,  0.10)
174:     bond    (-130.580,  46.096, -12.840)  (-130.504,  46.148, -12.823)  ( 0.06,  0.11,  0.14)
174:     angle   ( 15.105,  20.142, -13.695)  ( 15.117,  20.151, -13.692)  ( 0.08,  0.05,  0.02)
174:     torsion ( -0.045,  -0.242,  -0.407)  ( -0.045,  -0.241,  -0.405)  ( 0.00,  0.02,  0.09)
174:     vdw     ( -6.987,  -5.645,   4.172)  ( -6.987,  -5.645,   4.172)  ( 0.00,  0.00,  0.00)
174:     electro (  0.029,   0.523,  -0.315)  (  0.029,   0.523,  -0.315)  ( 0.00,  0.00,  0.00)
174: 13       ( -9.925,  12.224,  -6.238)  ( -9.911,  12.239,  -6.231)  ( 0.14,  0.12,  0.11)
174:     bond    (  4.051,   4.454,  -3.122)  (  4.061,   4.467,  -3.116)  ( 0.26,  0.28,  0.20)
174:     angle   (-11.210,   7.819,  -3.395)  (-11.207,   7.821,  -3.395)  ( 0.03,  0.02,  0.01)
174:     torsion ( -0.006,  -0.030,  -0.051)  ( -0.006,  -0.030,  -0.050)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.943,  -0.290,   0.399)  ( -1.943,  -0.290,   0.399)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.817,   0.271,  -0.069)  ( -0.817,   0.271,  -0.069)  ( 0.00,  0.00,  0.00)
174: 14       (-58.101,  -7.908,  11.227)  (-58.092,  -7.888,  11.233)  ( 0.02,  0.25,  0.06)
174:     bond    ( -5.451,  10.771,  -5.813)  ( -5.446,  10.790,  -5.808)  ( 0.09,  0.17,  0.09)
174:     angle   (-55.786, -18.776,  17.425)  (-55.782, -18.776,  17.426)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.002,   0.013,   0.021)  (  0.002,   0.013,   0.022)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.316,   0.076,  -0.310)  (  2.316,   0.076,  -0.310)  ( 0.00,  0.00,  0.00)
174:     electro (  0.817,   0.009,  -0.097)  (  0.817,   0.009,  -0.097)  ( 0.00,  0.00,  0.00)
174: 15       ( 76.256,  52.092, 107.712)  ( 76.305,  52.140, 107.761)  ( 0.06,  0.09,  0.05)
174:     bond    ( 35.609,  26.240,  49.457)  ( 35.644,  26.277,  49.494)  ( 0.10,  0.14,  0.07)
174:     angle   ( 39.337,  26.345,  57.041)  ( 39.351,  26.356,  57.052)  ( 0.03,  0.04,  0.02)
174:     torsion ( -0.132,  -0.717,   0.478)  ( -0.132,  -0.716,   0.478)  ( 0.00,  0.02,  0.01)
174:     vdw     (  1.442,   0.223,   0.737)  (  1.442,   0.223,   0.737)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 44.286,  -8.269,   0.021)  ( 44.306,  -8.267,   0.025)  ( 0.05,  0.03,  0.01)
174:     bond    ( 44.465,  -8.332,  -0.027)  ( 44.486,  -8.331,  -0.027)  ( 0.05,  0.01,  0.00)
174:     angle   (  0.006,   0.030,   0.046)  (  0.006,   0.032,   0.049)  ( 0.00,  0.00,  0.02)
174:     torsion ( -0.001,  -0.003,   0.002)  ( -0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.185,   0.035,   0.000)  ( -0.185,   0.035,   0.001)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       ( 11.070, -26.992, -37.858)  ( 11.079, -26.985, -37.845)  ( 0.08,  0.03,  0.03)
174:     bond    ( 20.382, -27.254, -35.045)  ( 20.386, -27.248, -35.034)  ( 0.02,  0.02,  0.03)
174:     angle   (  9.567,   1.260,   4.588)  (  9.572,   1.261,   4.589)  ( 0.05,  0.01,  0.02)
174:     torsion ( -0.026,  -0.136,   0.091)  ( -0.026,  -0.136,   0.091)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dw6_0mn.sdf
177:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
177:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
177: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
177:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
177:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
177:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
177: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
177:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
177:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
177:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
177:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
177: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
177:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
177:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
177:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
177:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
177: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
177:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
177:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
177:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
177:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
177: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
177:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
177:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
177:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dx5_c14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dx5_dd9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dx5_oct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dx7_dm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dxd_9pc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dy6_a22.sdf
174:     vdw     (-18.853,  -0.862,  -7.491)  (-18.852,  -0.862,  -7.491)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       ( 51.986, -76.293, -107.219)  ( 52.034, -76.245, -107.170)  ( 0.09,  0.06,  0.05)
174:     bond    ( 23.428, -37.115, -49.146)  ( 23.463, -37.078, -49.109)  ( 0.15,  0.10,  0.08)
174:     angle   ( 27.171, -39.113, -56.891)  ( 27.184, -39.102, -56.879)  ( 0.05,  0.03,  0.02)
174:     torsion (  0.125,   0.664,  -0.443)  (  0.125,   0.664,  -0.443)  ( 0.00,  0.02,  0.01)
174:     vdw     (  1.262,  -0.729,  -0.739)  (  1.262,  -0.729,  -0.739)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 20.224,  21.241,  37.963)  ( 20.235,  21.245,  37.975)  ( 0.06,  0.02,  0.03)
174:     bond    ( 29.019,  18.087,  35.138)  ( 29.026,  18.090,  35.149)  ( 0.03,  0.02,  0.03)
174:     angle   (  8.429,  -4.622,  -4.586)  (  8.432,  -4.621,  -4.585)  ( 0.04,  0.02,  0.02)
174:     torsion (  0.025,   0.137,  -0.092)  (  0.025,   0.138,  -0.092)  ( 0.00,  0.00,  0.00)
174:     vdw     (-17.249,   7.639,   7.504)  (-17.249,   7.639,   7.504)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (-13.482,  -7.871,   6.229)  (-13.474,  -7.850,   6.236)  ( 0.06,  0.26,  0.11)
174:     bond    (  2.196,  -5.711,   3.136)  (  2.199,  -5.691,   3.142)  ( 0.14,  0.35,  0.19)
174:     angle   (-13.116,  -3.204,   3.373)  (-13.111,  -3.203,   3.373)  ( 0.04,  0.01,  0.01)
174:     torsion (  0.005,   0.027,   0.046)  (  0.005,   0.027,   0.046)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.707,   0.973,  -0.396)  ( -1.707,   0.973,  -0.396)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.859,   0.043,   0.071)  ( -0.859,   0.043,   0.071)  ( 0.00,  0.00,  0.00)
174: 21       (-51.233,  28.537, -11.269)  (-51.218,  28.550, -11.263)  ( 0.03,  0.05,  0.06)
174:     bond    ( -8.828,  -7.962,   5.713)  ( -8.815,  -7.951,   5.718)  ( 0.15,  0.13,  0.10)
174:     angle   (-45.295,  37.720, -17.368)  (-45.293,  37.722, -17.368)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.015)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.132,  -0.908,   0.306)  (  2.132,  -0.908,   0.306)  ( 0.00,  0.00,  0.00)
174:     electro (  0.759,  -0.304,   0.096)  (  0.759,  -0.304,   0.096)  ( 0.00,  0.00,  0.00)
174: 22       ( 24.108, -32.847,  -9.947)  ( 24.118, -32.831,  -9.938)  ( 0.04,  0.05,  0.10)
174:     bond    ( 14.454, -21.636,  14.894)  ( 14.460, -21.622,  14.901)  ( 0.04,  0.07,  0.05)
174:     angle   (  9.873, -11.881, -26.823)  (  9.876, -11.879, -26.820)  ( 0.03,  0.01,  0.01)
174:     torsion ( -0.023,  -0.003,   0.019)  ( -0.023,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.195,   0.672,   1.962)  ( -0.195,   0.672,   1.962)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( 27.579,   2.612, -28.301)  ( 27.594,   2.626, -28.294)  ( 0.05,  0.53,  0.02)
174:     bond    ( 19.888,  19.685, -11.092)  ( 19.900,  19.697, -11.088)  ( 0.06,  0.06,  0.03)
174:     angle   (  7.749, -17.983, -18.033)  (  7.752, -17.981, -18.030)  ( 0.03,  0.01,  0.02)
174:     torsion (  0.020,  -0.022,  -0.003)  (  0.020,  -0.022,  -0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.078,   0.933,   0.827)  ( -0.078,   0.933,   0.827)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-28.691,   9.540,   6.093)  (-28.680,   9.549,   6.107)  ( 0.04,  0.10,  0.23)
174:     bond    (-16.080,  13.930,  19.010)  (-16.071,  13.937,  19.022)  ( 0.05,  0.05,  0.06)
174:     angle   (-34.103,  -6.913, -23.751)  (-34.101,  -6.910, -23.749)  ( 0.01,  0.04,  0.01)
174:     torsion (  0.003,   0.026,  -0.016)  (  0.003,   0.026,  -0.016)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 21.489,   2.497,  10.850)  ( 21.489,   2.497,  10.850)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( 34.410,  22.071,   9.571)  ( 34.426,  22.081,   9.580)  ( 0.05,  0.04,  0.10)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
175:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
175:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
175:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
175:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
175:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.560,   0.014,   0.551)  ( -0.085,   0.116,   0.170)  (26.59,  0.14, 20.99)
175:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
175:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
175:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
175:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
175: ok 32 # gradients 
175: ok 33 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
175:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
175:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
175:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
175:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
175:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
175:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
175:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
175:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
175:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
175:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
175:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
175:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
175:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
175:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
175:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
175:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
175:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
175:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
175:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
175:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
175:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
175:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
175:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
175:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
177: 40       (  0.267,   2.896,  -2.083)  (  0.251,   2.749,  -1.926)  ( 0.44,  5.06,  7.51)
177:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
177:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.960,  -0.598,   1.997)  (  1.960,  -0.598,   1.997)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.155,   1.094,  -1.118)  (  0.137,   0.945,  -0.964)  ( 0.28, 13.62, 13.81)
177:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
177:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
177: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
177:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
177:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
177:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
177:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
177: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
177:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
177:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
177:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
177:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
177: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
177:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
177:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
177:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
177: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
177:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
177:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
177:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
177:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
177:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
177: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
177:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
177:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
177:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
175:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
175:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
175:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
175:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
175:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
175:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
175:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
175:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
175:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
175:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
175:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
175:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
175:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
175:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
175:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
175:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
175:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
175:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
175:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
175:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
175: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
175:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
175:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
175:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
175:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
175: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
175:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
175:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
175: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
175:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
175:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
175:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
175:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
175:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
175:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
175:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
175:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
175: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
175:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
175:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
175:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
175:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
175:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dya_0mf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dyb_0mh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dyn_0mr.sdf
175:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
175:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
175:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
175:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
175:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
175:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
175:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
175:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
175:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
175:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
175:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
175: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
175:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
175:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
175:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
175: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
175:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
175:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
175:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
175:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dyp_0ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dz0_aen.sdf
177:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
177:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
177:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
177: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
177:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
177:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
177:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
177: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
177:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
177:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
177:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
177:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
177:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
177:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
177:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
177:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
177:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
177:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
177:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
177:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
174:     bond    ( 21.393,  15.082, -15.096)  ( 21.407,  15.089, -15.089)  ( 0.06,  0.05,  0.05)
174:     angle   ( 13.456,   7.526,  26.619)  ( 13.458,   7.528,  26.622)  ( 0.02,  0.04,  0.01)
174:     torsion ( -0.019,   0.010,  -0.017)  ( -0.019,   0.010,  -0.017)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.421,  -0.547,  -1.936)  ( -0.421,  -0.546,  -1.936)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (-30.400,   1.530,  -6.272)  (-30.384,   1.535,  -6.258)  ( 0.05,  0.35,  0.23)
174:     bond    (-20.249,  -7.300, -19.136)  (-20.236,  -7.298, -19.124)  ( 0.07,  0.02,  0.06)
174:     angle   (-29.255,  18.971,  23.710)  (-29.253,  18.975,  23.712)  ( 0.01,  0.02,  0.01)
174:     torsion ( -0.006,  -0.023,   0.014)  ( -0.006,  -0.023,   0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 19.109, -10.119, -10.861)  ( 19.110, -10.119, -10.861)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       ( 25.004, -12.499,  28.368)  ( 25.011, -12.478,  28.375)  ( 0.03,  0.17,  0.02)
174:     bond    ( 11.583, -25.719,  11.135)  ( 11.587, -25.699,  11.138)  ( 0.03,  0.08,  0.03)
174:     angle   ( 13.816,  14.065,  18.075)  ( 13.820,  14.066,  18.078)  ( 0.02,  0.01,  0.02)
174:     torsion (  0.024,   0.012,   0.003)  (  0.024,   0.012,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.420,  -0.856,  -0.844)  ( -0.420,  -0.856,  -0.844)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 34 # gradients 
174: ok 35 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (1369.371, 1195.430, 1995.217)  (1369.423, 1195.454, 1995.268)  ( 0.00,  0.00,  0.00)
174:     bond    (1461.461, 1275.601, 2025.255)  (1461.505, 1275.614, 2025.297)  ( 0.00,  0.00,  0.00)
174:     angle   (-94.800, -75.151, -31.579)  (-94.792, -75.141, -31.571)  ( 0.01,  0.01,  0.03)
174:     torsion (  2.079,  -6.467,   0.470)  (  2.079,  -6.467,   0.470)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.631,   1.447,   1.072)  (  0.631,   1.447,   1.072)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-181.675, 105.621, 179.573)  (-181.622, 105.667, 179.622)  ( 0.03,  0.04,  0.03)
174:     bond    (-148.144,  60.423, 102.210)  (-148.102,  60.459, 102.246)  ( 0.03,  0.06,  0.04)
174:     angle   (-28.350,  45.228,  69.391)  (-28.340,  45.238,  69.404)  ( 0.04,  0.02,  0.02)
174:     torsion ( -1.446,   1.438,   1.670)  ( -1.446,   1.438,   1.670)  ( 0.02,  0.03,  0.02)
174:     vdw     ( -3.735,  -1.468,   6.302)  ( -3.735,  -1.468,   6.302)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-132.371, -161.041, 125.197)  (-132.323, -160.993, 125.249)  ( 0.04,  0.03,  0.04)
174:     bond    (-94.820, -119.067, 105.652)  (-94.784, -119.030, 105.693)  ( 0.04,  0.03,  0.04)
174:     angle   (-31.282, -40.683,  10.602)  (-31.271, -40.672,  10.611)  ( 0.03,  0.03,  0.09)
174:     torsion ( -1.488,  -1.816,   0.312)  ( -1.488,  -1.815,   0.312)  ( 0.03,  0.03,  0.01)
174:     vdw     ( -4.780,   0.524,   8.632)  ( -4.780,   0.524,   8.632)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-15.902, 115.758,  12.897)  (-15.857, 115.778,  12.945)  ( 0.29,  0.02,  0.38)
174:     bond    (-28.066,  85.668,  -9.634)  (-28.027,  85.679,  -9.591)  ( 0.14,  0.01,  0.44)
174:     angle   ( 14.028,  26.175,  23.400)  ( 14.034,  26.182,  23.406)  ( 0.04,  0.03,  0.03)
174:     torsion ( -1.256,   4.948,   0.115)  ( -1.256,   4.948,   0.116)  ( 0.02,  0.01,  0.00)
174:     vdw     ( -0.608,  -1.032,  -0.985)  ( -0.608,  -1.032,  -0.985)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dz7_d02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dz9_id4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4dzy_wj1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e1g_lnl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e1k_0n5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e1m_tq2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e1n_tqx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e1z_0mx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e20_0my.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e26_734.sdf
177:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
177:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
177:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
177:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
177:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
177:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
177:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
177:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
177:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
177:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
177:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
177:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e28_9mz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e47_0n6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e4k_rrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e4m_0nh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e4n_0nl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e5d_0nj.sdf
175:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
175:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
175:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
175:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
175:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
175:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
175:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
175:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
175:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 34 # gradients 
175: ok 35 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
175:                                                                                         
175:                                                                                         
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e5f_0n7.sdf
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e5g_xi7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e5i_0n9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e5j_581.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e5w_0nt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e6d_0nu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e6q_0nv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e73_0nr.sdf
174:  5       (176.944, -86.116, -142.995)  (176.997, -86.070, -142.947)  ( 0.03,  0.05,  0.03)
174:     bond    (141.110, -61.763, -102.053)  (141.152, -61.727, -102.017)  ( 0.03,  0.06,  0.04)
174:     angle   ( 26.086, -27.000, -36.336)  ( 26.097, -26.991, -36.325)  ( 0.04,  0.03,  0.03)
174:     torsion (  0.894,  -1.212,  -1.769)  (  0.894,  -1.211,  -1.768)  ( 0.03,  0.04,  0.02)
174:     vdw     (  8.855,   3.859,  -2.837)  (  8.855,   3.859,  -2.837)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (157.851, 189.819, -117.633)  (157.899, 189.868, -117.581)  ( 0.03,  0.03,  0.04)
174:     bond    ( 96.212, 121.860, -105.322)  ( 96.248, 121.897, -105.281)  ( 0.04,  0.03,  0.04)
174:     angle   ( 52.701,  64.745,  -8.770)  ( 52.712,  64.757,  -8.760)  ( 0.02,  0.02,  0.11)
174:     torsion (  1.075,   2.443,  -0.727)  (  1.075,   2.444,  -0.727)  ( 0.04,  0.02,  0.02)
174:     vdw     (  7.863,   0.770,  -2.813)  (  7.863,   0.770,  -2.813)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-133.686, -119.156, -187.980)  (-133.636, -119.106, -187.928)  ( 0.04,  0.04,  0.03)
174:     bond    (-85.996, -97.284, -126.688)  (-85.958, -97.245, -126.649)  ( 0.04,  0.04,  0.03)
174:     angle   (-41.435, -21.293, -53.864)  (-41.424, -21.281, -53.852)  ( 0.03,  0.05,  0.02)
174:     torsion ( -0.017,   0.011,   0.003)  ( -0.017,   0.011,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.238,  -0.590,  -7.431)  ( -6.238,  -0.590,  -7.430)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (1573.982, -2052.237, -2187.666)  (1574.030, -2052.177, -2187.611)  ( 0.00,  0.00,  0.00)
174:     bond    (1548.366, -2060.217, -2183.958)  (1548.400, -2060.170, -2183.914)  ( 0.00,  0.00,  0.00)
174:     angle   ( 19.787,   7.107,  -6.660)  ( 19.801,   7.120,  -6.649)  ( 0.07,  0.18,  0.17)
174:     torsion ( -1.000,   2.025,  -1.521)  ( -1.000,   2.025,  -1.521)  ( 0.00,  0.00,  0.02)
174:     vdw     (  2.318,   1.078,   4.865)  (  2.318,   1.078,   4.865)  ( 0.01,  0.01,  0.00)
174:     electro (  4.512,  -2.230,  -0.392)  (  4.512,  -2.230,  -0.392)  ( 0.00,  0.00,  0.00)
174:  9       ( -7.983, -41.507, -35.682)  ( -7.977, -41.500, -35.661)  ( 0.07,  0.02,  0.06)
174:     bond    (  4.870,   5.245, -14.381)  (  4.872,   5.247, -14.361)  ( 0.05,  0.05,  0.14)
174:     angle   (-15.868, -48.162, -22.980)  (-15.864, -48.158, -22.979)  ( 0.02,  0.01,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.787,   0.954,   0.884)  (  3.787,   0.954,   0.884)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.772,   0.456,   0.795)  ( -0.772,   0.456,   0.795)  ( 0.00,  0.00,  0.00)
174: 10       ( 27.594, -14.399, -46.283)  ( 27.599, -14.375, -46.279)  ( 0.02,  0.17,  0.01)
174:     bond    (  1.010, -10.223,   1.585)  (  1.011, -10.199,   1.586)  ( 0.03,  0.24,  0.04)
174:     angle   ( 30.378,  -4.575, -48.799)  ( 30.382,  -4.575, -48.795)  ( 0.01,  0.00,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.850,   0.228,   1.522)  ( -1.850,   0.228,   1.522)  ( 0.01,  0.00,  0.01)
174:     electro ( -1.944,   0.171,  -0.592)  ( -1.944,   0.171,  -0.592)  ( 0.00,  0.00,  0.00)
174: 11       (-2877.194, 780.290, 282.207)  (-2877.127, 780.387, 282.225)  ( 0.00,  0.01,  0.01)
174:     bond    (-2944.764, 766.776, 249.933)  (-2944.709, 766.863, 249.945)  ( 0.00,  0.01,  0.01)
174:     angle   ( 71.107,  12.851,  27.872)  ( 71.119,  12.861,  27.874)  ( 0.02,  0.07,  0.01)
174:     torsion (  0.047,  -0.634,   2.789)  (  0.047,  -0.634,   2.791)  ( 0.00,  0.01,  0.08)
174:     vdw     ( -3.584,   1.297,   1.614)  ( -3.584,   1.297,   1.614)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-70.944, -46.432, -11.513)  (-70.859, -46.350, -11.506)  ( 0.12,  0.18,  0.07)
174:     bond    (-73.273, -87.425, -19.694)  (-73.200, -87.355, -19.690)  ( 0.10,  0.08,  0.02)
174:     angle   (  8.092,  43.087,  10.723)  (  8.105,  43.099,  10.723)  ( 0.15,  0.03,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
177:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
177:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
177:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
177:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
177:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
177:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
177:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
177:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
177:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
177:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
177:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
177:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
177:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
177:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e90_7rg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e91_0of.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e92_0og.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e96_0ns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e99_p8s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4e9u_rwy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ea1_3rx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ea2_rwz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ea2_srt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ea3_0nn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ead_0np.sdf
177:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
177:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
177:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
177:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
177:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
177:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
177:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
177: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
177:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
177:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
177:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
177:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
177: ok 14 # gradients 
177: ok 15 # energy 
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eaw_0nq.sdf
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
175:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
175:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
175:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
175:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
175:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
175:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
175:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
175:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
175:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
175:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
175:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
175:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
175:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
175:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
175:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
175:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
175:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
175:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
175:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
175:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
175:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
175:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
175:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
175:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
175:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
175:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
175:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
175:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
175:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
175:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
175:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
175:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eb3_0o3.sdf
177:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
177:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
177:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
177:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
177:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
177:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
177:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
177:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
177:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
177:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
177:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
177:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
177:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
177:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
177:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
177:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
177:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
177:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
177:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
177:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
177:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
177:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
177:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
177:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
177:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
177:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
177:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
177:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
177:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
177:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
177:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
177:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
177:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
177:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
177:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
177:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
177:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eb9_0o6.sdf
177:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
177:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
177:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
177:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
177:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
177:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
177:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
177:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
177:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
177:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
177:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
177:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
177:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
177:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
177:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
177:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
177: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
177:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
177:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
177:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
177: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
177:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
177:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
177:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
177:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
177:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
177: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ebc_0oh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ebd_0oj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ebv_0o7.sdf
177:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
177:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
177:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
177:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
177: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
177:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
177:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
177:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
177:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
177: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
177:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
177:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
177:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
177:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
177: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
177:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
177:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
177:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
177: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
177:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
177:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
177:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
177: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
177:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
177:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
174:     torsion ( -0.013,   0.501,  -2.331)  ( -0.013,   0.501,  -2.328)  ( 0.00,  0.01,  0.13)
174:     vdw     ( -4.596,  -4.209,  -1.153)  ( -4.596,  -4.209,  -1.153)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.154,   1.614,   0.942)  ( -1.154,   1.614,   0.942)  ( 0.00,  0.00,  0.00)
174: 13       (103.292, -167.482, -50.570)  (103.394, -167.413, -50.562)  ( 0.10,  0.04,  0.02)
174:     bond    (101.082, -18.155,  -7.464)  (101.171, -18.100,  -7.460)  ( 0.09,  0.30,  0.06)
174:     angle   ( 10.732, -148.703, -38.696)  ( 10.745, -148.689, -38.695)  ( 0.12,  0.01,  0.00)
174:     torsion ( -0.027,   0.546,  -2.011)  ( -0.027,   0.546,  -2.008)  ( 0.00,  0.01,  0.15)
174:     vdw     ( -8.577,  -1.464,  -3.092)  ( -8.577,  -1.463,  -3.092)  ( 0.00,  0.02,  0.00)
174:     electro (  0.082,   0.294,   0.693)  (  0.082,   0.294,   0.693)  ( 0.00,  0.00,  0.00)
174: 14       (-340.783, 244.004, 103.856)  (-340.702, 244.105, 103.865)  ( 0.02,  0.04,  0.01)
174:     bond    (-242.685, 169.679,  51.566)  (-242.620, 169.756,  51.571)  ( 0.03,  0.05,  0.01)
174:     angle   (-90.118,  80.283,  38.870)  (-90.102,  80.306,  38.871)  ( 0.02,  0.03,  0.00)
174:     torsion (  0.878,  -3.052,  21.109)  (  0.878,  -3.052,  21.112)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -8.858,  -2.905,  -7.690)  ( -8.858,  -2.905,  -7.689)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-73.315, -132.854, -48.254)  (-73.221, -132.766, -48.244)  ( 0.13,  0.07,  0.02)
174:     bond    (-57.772, -173.544, -48.927)  (-57.694, -173.468, -48.921)  ( 0.14,  0.04,  0.01)
174:     angle   (-12.260,  33.289,  10.647)  (-12.246,  33.300,  10.648)  ( 0.12,  0.03,  0.01)
174:     torsion ( -0.061,   1.973,  -7.707)  ( -0.061,   1.974,  -7.705)  ( 0.00,  0.01,  0.04)
174:     vdw     ( -3.222,   5.428,  -2.267)  ( -3.221,   5.428,  -2.267)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 35.176,  96.616,  32.145)  ( 35.277,  96.684,  32.153)  ( 0.28,  0.07,  0.03)
174:     bond    (107.267,  64.420,  20.261)  (107.355,  64.475,  20.266)  ( 0.08,  0.09,  0.02)
174:     angle   (-66.999,  27.788,   6.767)  (-66.988,  27.800,   6.768)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.086,  -0.719,   3.121)  (  0.086,  -0.718,   3.124)  ( 0.00,  0.01,  0.10)
174:     vdw     ( -3.557,   6.031,   1.619)  ( -3.557,   6.031,   1.619)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.620,  -0.904,   0.376)  ( -1.620,  -0.904,   0.376)  ( 0.00,  0.00,  0.00)
174: 17       ( 72.990, -38.251, -125.567)  ( 73.023, -38.214, -125.562)  ( 0.05,  0.10,  0.00)
174:     bond    ( 76.533,  48.205,  -2.919)  ( 76.562,  48.230,  -2.920)  ( 0.04,  0.05,  0.01)
174:     angle   ( 44.783,  15.169,  -6.917)  ( 44.787,  15.180,  -6.916)  ( 0.01,  0.07,  0.02)
174:     torsion ( -4.190,  -0.869, -11.772)  ( -4.190,  -0.869, -11.770)  ( 0.00,  0.01,  0.02)
174:     vdw     (-44.136, -100.757, -103.958)  (-44.136, -100.754, -103.956)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (119.639, -56.704, -193.548)  (119.684, -56.658, -193.499)  ( 0.04,  0.08,  0.03)
174:     bond    ( 90.494, -62.887, -134.670)  ( 90.528, -62.851, -134.631)  ( 0.04,  0.06,  0.03)
174:     angle   (  7.958,   4.349, -58.658)  (  7.967,   4.359, -58.648)  ( 0.11,  0.23,  0.02)
174:     torsion (  6.994,   0.785,  -1.421)  (  6.994,   0.785,  -1.420)  ( 0.01,  0.02,  0.05)
174:     vdw     ( 14.194,   1.049,   1.201)  ( 14.194,   1.049,   1.201)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       (-28.867, -137.080, 213.252)  (-28.819, -137.032, 213.302)  ( 0.17,  0.04,  0.02)
174:     bond    ( -2.959, -76.425, 133.671)  ( -2.923, -76.388, 133.709)  ( 1.23,  0.05,  0.03)
174:     angle   (-21.380, -58.465,  80.090)  (-21.369, -58.454,  80.102)  ( 0.05,  0.02,  0.02)
174:     torsion ( -6.308,  -1.853,  -1.783)  ( -6.308,  -1.852,  -1.783)  ( 0.01,  0.02,  0.01)
174:     vdw     (  1.781,  -0.337,   1.274)  (  1.781,  -0.337,   1.274)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ebw_0pf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ec0_7pq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4edy_9pq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4edz_0o5.sdf
177:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
177:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
177: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
177:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
177:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
177:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
177: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
177:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
177:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
177:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
177:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
177:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
177:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
177:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
177:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
177:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
177:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
177:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
177:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ee0_0o4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eeq_0ox.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eev_l1x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ef6_i2e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4efb_0ow.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4efe_0ov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4efk_0oc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4efs_e37.sdf
175:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
175:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
175:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
175:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
175:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
175:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
175:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
175:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
175:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
175:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
175:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
175:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
175:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
175:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
175:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
175:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
175: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
175:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
175:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
175: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
175:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
175:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
175:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
175: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4efu_efu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eh9_0oq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ehe_ri8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ehg_ri9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ehr_0q5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ehz_jak.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ei4_0q2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ein_noh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eix_nim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eiy_ola.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ej4_ej4.sdf
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (207.909, -466.263,  79.993)  (207.985, -466.174,  80.005)  ( 0.04,  0.02,  0.01)
174:     bond    (182.230, -600.186,  98.639)  (182.294, -600.111,  98.647)  ( 0.04,  0.01,  0.01)
174:     angle   ( 30.140, 138.056, -17.107)  ( 30.152, 138.069, -17.105)  ( 0.04,  0.01,  0.01)
174:     torsion ( -1.300,   0.946,   0.552)  ( -1.300,   0.946,   0.554)  ( 0.03,  0.01,  0.12)
174:     vdw     ( -3.161,  -5.079,  -2.091)  ( -3.161,  -5.079,  -2.091)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (264.766, 1019.746,  41.828)  (264.807, 1019.826,  41.835)  ( 0.02,  0.01,  0.02)
174:     bond    (243.258, 971.230,  40.076)  (243.286, 971.307,  40.079)  ( 0.01,  0.01,  0.01)
174:     angle   ( 14.169,  42.623,   0.148)  ( 14.181,  42.625,   0.150)  ( 0.08,  0.01,  0.03)
174:     torsion ( -1.329,   0.222,   3.722)  ( -1.329,   0.222,   3.723)  ( 0.02,  0.00,  0.04)
174:     vdw     (  8.669,   5.671,  -2.118)  (  8.669,   5.671,  -2.118)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-402.004, -170.741, -141.440)  (-401.917, -170.640, -141.423)  ( 0.02,  0.06,  0.01)
174:     bond    (-503.192, -178.190, -182.315)  (-503.117, -178.102, -182.302)  ( 0.02,  0.05,  0.01)
174:     angle   (102.277,   0.774,  39.469)  (102.288,   0.786,  39.470)  ( 0.01,  0.93,  0.00)
174:     torsion ( -0.534,   0.081,   1.258)  ( -0.533,   0.081,   1.261)  ( 0.02,  0.00,  0.24)
174:     vdw     ( -0.555,   6.594,   0.148)  ( -0.555,   6.594,   0.148)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (265.191, -645.691, 142.343)  (265.272, -645.583, 142.360)  ( 0.03,  0.02,  0.01)
174:     bond    (398.592, -719.663, 195.944)  (398.659, -719.565, 195.956)  ( 0.02,  0.01,  0.01)
174:     angle   (-135.752,  68.646, -51.584)  (-135.740,  68.656, -51.583)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.753,  -0.118,  -2.003)  (  0.754,  -0.118,  -2.000)  ( 0.04,  0.00,  0.18)
174:     vdw     (  1.598,   5.444,  -0.014)  (  1.598,   5.444,  -0.014)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-80.570, 704.233, -74.510)  (-80.507, 704.325, -74.494)  ( 0.08,  0.01,  0.02)
174:     bond    ( 93.805, 555.868,   4.190)  ( 93.859, 555.946,   4.203)  ( 0.06,  0.01,  0.31)
174:     angle   (-173.921, 150.290, -79.824)  (-173.912, 150.303, -79.823)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.452,   0.056,   1.226)  ( -0.452,   0.056,   1.228)  ( 0.02,  0.00,  0.21)
174:     vdw     ( -0.003,  -1.981,  -0.103)  ( -0.003,  -1.981,  -0.103)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (138.634, -255.892,  72.775)  (138.719, -255.822,  72.790)  ( 0.06,  0.03,  0.02)
174:     bond    ( 78.315, 129.261,  21.824)  ( 78.391, 129.313,  21.836)  ( 0.10,  0.04,  0.06)
174:     angle   ( 56.522, -381.810,  49.106)  ( 56.530, -381.791,  49.107)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.678,   0.012,  -1.874)  (  0.679,   0.012,  -1.871)  ( 0.03,  0.00,  0.13)
174:     vdw     (  2.878,  -4.540,   3.180)  (  2.878,  -4.540,   3.180)  ( 0.00,  0.01,  0.00)
174:     electro (  0.241,   1.185,   0.538)  (  0.241,   1.185,   0.538)  ( 0.00,  0.00,  0.00)
174: 26       (-136.091, -340.547, -47.481)  (-136.024, -340.460, -47.468)  ( 0.05,  0.03,  0.03)
174:     bond    (-101.762, -361.165,  -9.618)  (-101.706, -361.091,  -9.610)  ( 0.06,  0.02,  0.08)
174:     angle   (-38.960,  23.208, -34.425)  (-38.950,  23.221, -34.422)  ( 0.03,  0.06,  0.01)
174:     torsion (  3.895,  -1.182, -10.458)  (  3.895,  -1.182, -10.457)  ( 0.01,  0.01,  0.02)
174:     vdw     (  0.737,  -1.408,   7.021)  (  0.737,  -1.408,   7.021)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (392.416, -128.937, 160.507)  (392.479, -128.885, 160.518)  ( 0.02,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ejh_0qa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ejn_0r4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ek1_cam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ek9_ep4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ekg_0qj.sdf
175:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
175:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
175:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
175:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
175:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
175:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
175: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
175:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
175:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
175:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
175:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
175:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
175: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
175:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
175:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
175:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
175:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
175:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
175: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
175:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
175:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
175:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
175:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
175:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
175: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
175:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
175:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
175:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
175:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
175: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
175:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
175:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eki_0qk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ekl_0rf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4elt_0r5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4elu_0r6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4elv_0r7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4em7_0ra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4emr_mgp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4emv_0r9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4en4_gt0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4enh_fvx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4enx_z20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eny_j19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eo6_0s2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eo8_0s3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eox_0s5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ep9_0rd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eph_0rk.sdf
175:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
175: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
175:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
175:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
175:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
175:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
175:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
175: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
175:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
175:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
175:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
175:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -7.022,  36.733,  -5.283)  ( -6.843,  36.719,  -5.733)  ( 2.56,  0.04,  8.53)
175:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
175:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
175:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
175:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
175:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
175: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
175:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
175:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
175:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
175:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
175:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
175: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
175:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
175:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
175:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
175:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
175:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
175: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
175:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4epl_jai.sdf
174:     bond    (379.882, -144.919, 155.173)  (379.943, -144.876, 155.182)  ( 0.02,  0.03,  0.01)
174:     angle   ( 14.261,  17.407,   2.817)  ( 14.264,  17.416,   2.818)  ( 0.02,  0.05,  0.04)
174:     torsion ( -1.305,   0.304,   3.355)  ( -1.305,   0.304,   3.356)  ( 0.01,  0.00,  0.02)
174:     vdw     ( -0.422,  -1.729,  -0.838)  ( -0.422,  -1.729,  -0.838)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (1315.146, -74.669, 493.336)  (1315.206, -74.577, 493.354)  ( 0.00,  0.12,  0.00)
174:     bond    (1185.804,  92.689, 432.055)  (1185.856,  92.772, 432.069)  ( 0.00,  0.09,  0.00)
174:     angle   (130.865, -167.104,  60.684)  (130.874, -167.094,  60.687)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.460,   0.082,   1.241)  ( -0.460,   0.082,   1.242)  ( 0.01,  0.00,  0.11)
174:     vdw     ( -1.064,  -0.337,  -0.644)  ( -1.064,  -0.337,  -0.644)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       (-407.489, 229.581, -174.705)  (-407.472, 229.589, -174.700)  ( 0.00,  0.00,  0.00)
174:     bond    (-428.438, 181.023, -179.396)  (-428.422, 181.028, -179.392)  ( 0.00,  0.00,  0.00)
174:     angle   ( 18.109,  47.213,   4.397)  ( 18.110,  47.216,   4.397)  ( 0.00,  0.01,  0.00)
174:     torsion (  0.211,  -0.029,  -0.534)  (  0.211,  -0.029,  -0.534)  ( 0.00,  0.00,  0.03)
174:     vdw     (  2.629,   1.375,   0.829)  (  2.629,   1.375,   0.829)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (-1375.520,  93.450, -519.145)  (-1375.476,  93.506, -519.093)  ( 0.00,  0.06,  0.01)
174:     bond    (-1368.931,   2.598, -509.342)  (-1368.899,   2.640, -509.300)  ( 0.00,  1.63,  0.01)
174:     angle   ( -6.421,  89.619,  -9.663)  ( -6.410,  89.632,  -9.653)  ( 0.18,  0.01,  0.11)
174:     torsion ( -0.024,   0.004,   0.064)  ( -0.024,   0.004,   0.065)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.144,   1.230,  -0.204)  ( -0.144,   1.230,  -0.204)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-252.383,  68.712,  72.986)  (-252.334,  68.760,  73.032)  ( 0.02,  0.07,  0.06)
174:     bond    (-183.680, 108.332,  28.850)  (-183.643, 108.368,  28.887)  ( 0.02,  0.03,  0.13)
174:     angle   (-67.485, -40.784,  37.274)  (-67.473, -40.773,  37.283)  ( 0.02,  0.03,  0.02)
174:     torsion ( -1.634,   0.633,   4.614)  ( -1.633,   0.633,   4.614)  ( 0.03,  0.02,  0.01)
174:     vdw     (  0.416,   0.531,   2.248)  (  0.416,   0.531,   2.248)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       ( 26.424, 201.539, -65.524)  ( 26.469, 201.589, -65.476)  ( 0.17,  0.02,  0.07)
174:     bond    ( 10.558, 131.097, -37.808)  ( 10.594, 131.133, -37.771)  ( 0.34,  0.03,  0.10)
174:     angle   ( 15.093,  68.172, -27.150)  ( 15.102,  68.185, -27.140)  ( 0.06,  0.02,  0.04)
174:     torsion (  0.521,   3.013,  -1.060)  (  0.521,   3.013,  -1.060)  ( 0.03,  0.02,  0.02)
174:     vdw     (  0.252,  -0.742,   0.494)  (  0.252,  -0.742,   0.494)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       (  5.447, -166.720, -114.957)  (  5.495, -166.670, -114.908)  ( 0.89,  0.03,  0.04)
174:     bond    (  0.388, -85.303, -71.338)  (  0.425, -85.265, -71.301)  ( 1.43,  0.04,  0.05)
174:     angle   (  3.800, -80.567, -42.048)  (  3.811, -80.555, -42.036)  ( 0.29,  0.02,  0.03)
174:     torsion (  0.744,  -0.036,   0.075)  (  0.745,  -0.036,   0.076)  ( 0.04,  0.00,  0.00)
174:     vdw     (  0.514,  -0.814,  -1.646)  (  0.514,  -0.814,  -1.646)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 39.872, -79.602, -11.314)  ( 39.879, -79.577, -11.310)  ( 0.02,  0.03,  0.04)
174:     bond    ( 31.505, -86.048,   4.238)  ( 31.508, -86.023,   4.238)  ( 0.01,  0.03,  0.01)
174:     angle   ( 12.846,   3.739, -19.615)  ( 12.848,   3.740, -19.612)  ( 0.02,  0.01,  0.02)
174:     torsion (  2.043,   0.649,  -2.011)  (  2.043,   0.649,  -2.011)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ept_0qw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4epv_0qx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4epw_0qv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4epx_0qr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4epy_0qy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eq1_pe5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eqc_xr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eqe_kaa.sdf
175:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
175:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
175:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
175: 24       (-10.794,  46.348,  -6.929)  (-10.714,  46.344,  -7.100)  ( 0.74,  0.01,  2.47)
175:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
175:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
175:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
175:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
175:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
175:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
175: 25       (  3.373, -52.861,   6.703)  (  3.261, -52.831,   7.013)  ( 3.32,  0.06,  4.61)
175:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
175:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
175:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
175:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
175:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
175:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
175: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
175:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
175:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
175:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
175:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
175: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
175:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
175:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
175:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
175:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
175: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
175:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
175:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
175:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eqg_a5a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eqh_wsa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4equ_g6i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eqz_aw0.sdf
177:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
177:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
177:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 16 # gradients 
177: ok 17 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4er0_aw1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4er6_aw2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4er7_aw3.sdf
175:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
175: 29       ( 12.404,   3.421,   4.782)  ( 12.393,   3.426,   4.831)  ( 0.09,  0.14,  1.01)
175:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
175:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
175:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
175:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
175:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
175:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
175:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
175:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
175:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
175:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
175: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
175:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
175:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
175:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
175:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
175:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
175:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
175:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
175:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
175:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
175:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
175:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
175:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
175:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
175:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
175:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
175:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ere_0r2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4erf_0r3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4erk_olo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4esi_0rb.sdf
174:     vdw     ( -6.521,   2.057,   6.075)  ( -6.521,   2.057,   6.075)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       ( 36.284,  22.966, -82.660)  ( 36.289,  22.973, -82.636)  ( 0.01,  0.03,  0.03)
174:     bond    ( 21.884,  34.000, -84.579)  ( 21.886,  34.004, -84.556)  ( 0.01,  0.01,  0.03)
174:     angle   ( 18.455, -11.667,   0.087)  ( 18.458, -11.664,   0.087)  ( 0.01,  0.03,  0.00)
174:     torsion ( -0.871,   0.454,  -0.043)  ( -0.871,   0.454,  -0.043)  ( 0.01,  0.01,  0.00)
174:     vdw     ( -3.185,   0.179,   1.876)  ( -3.184,   0.179,   1.876)  ( 0.01,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       ( 88.882,  10.987, -11.983)  ( 88.909,  10.992, -11.979)  ( 0.03,  0.04,  0.03)
174:     bond    ( 91.385,  -5.329, -13.368)  ( 91.412,  -5.328, -13.367)  ( 0.03,  0.01,  0.01)
174:     angle   ( -0.040,  18.084,  -7.489)  ( -0.040,  18.088,  -7.487)  ( 0.00,  0.02,  0.04)
174:     torsion (  0.028,  -1.127,   0.641)  (  0.028,  -1.127,   0.641)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.490,  -0.640,   8.233)  ( -2.490,  -0.640,   8.234)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       ( -4.098,  87.111, -10.557)  ( -4.092,  87.137, -10.553)  ( 0.14,  0.03,  0.04)
174:     bond    (-24.076,  86.846, -10.570)  (-24.074,  86.872, -10.569)  ( 0.01,  0.03,  0.01)
174:     angle   ( 21.480,   4.731, -10.050)  ( 21.483,   4.731, -10.048)  ( 0.02,  0.00,  0.03)
174:     torsion (  2.789,   0.583,  -1.558)  (  2.789,   0.583,  -1.558)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -4.290,  -5.049,  11.622)  ( -4.290,  -5.049,  11.622)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       (-23.572, -16.685,  85.626)  (-23.567, -16.678,  85.650)  ( 0.02,  0.04,  0.03)
174:     bond    (-20.719, -32.829,  83.983)  (-20.718, -32.825,  84.006)  ( 0.01,  0.01,  0.03)
174:     angle   (-11.944,  14.964,   2.903)  (-11.941,  14.967,   2.904)  ( 0.02,  0.02,  0.02)
174:     torsion (  0.733,  -0.743,  -0.110)  (  0.733,  -0.743,  -0.110)  ( 0.01,  0.01,  0.00)
174:     vdw     (  8.358,   1.923,  -1.150)  (  8.359,   1.923,  -1.150)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-33.595,  79.887,  14.514)  (-33.588,  79.911,  14.518)  ( 0.02,  0.03,  0.03)
174:     bond    (-31.431,  85.012,  -4.595)  (-31.427,  85.037,  -4.594)  ( 0.01,  0.03,  0.01)
174:     angle   (-13.511,  -3.912,  19.998)  (-13.508,  -3.912,  20.001)  ( 0.02,  0.01,  0.02)
174:     torsion ( -1.754,  -0.523,   2.320)  ( -1.754,  -0.523,   2.321)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 13.101,  -0.691,  -3.210)  ( 13.101,  -0.691,  -3.210)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 40       (-89.565, -10.449,  25.871)  (-89.538, -10.445,  25.875)  ( 0.03,  0.04,  0.02)
174:     bond    (-93.440,   4.720,  14.652)  (-93.413,   4.721,  14.653)  ( 0.03,  0.01,  0.01)
174:     angle   (  1.162, -17.513,  13.046)  (  1.162, -17.510,  13.049)  ( 0.01,  0.02,  0.02)
174:     torsion ( -0.082,   0.250,  -0.606)  ( -0.082,   0.250,  -0.606)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.795,   2.094,  -1.222)  (  2.795,   2.094,  -1.222)  ( 0.00,  0.00,  0.02)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       (  8.560, -87.495,  19.317)  (  8.566, -87.469,  19.321)  ( 0.07,  0.03,  0.02)
174:     bond    ( 25.302, -87.579,  10.941)  ( 25.304, -87.554,  10.942)  ( 0.01,  0.03,  0.01)
174:     angle   (-20.325,  -4.214,  13.279)  (-20.322,  -4.213,  13.282)  ( 0.02,  0.01,  0.02)
174:     torsion ( -1.939,  -0.352,   1.667)  ( -1.939,  -0.352,   1.667)  ( 0.01,  0.00,  0.00)
174:     vdw     (  5.522,   4.650,  -6.571)  (  5.523,   4.650,  -6.570)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       (-13.989,  74.223,   4.958)  (-13.983,  74.249,   4.962)  ( 0.04,  0.03,  0.08)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eut_bx7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ew2_dxy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ew3_dxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ewh_t77.sdf
175:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
175:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
175:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
175:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
175:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
175:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
175:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
175:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
175:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
175:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
175:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
175:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
175:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ewn_0vr.sdf
177:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
177:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
177:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
177:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
177:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ewq_mwl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ews_0rp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ews_pge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ey2_0rm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eyb_0wo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eyf_pnk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eyj_n61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eyl_0rv.sdf
175: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
175:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
175:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
175:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
175:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
175:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
175:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
175:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
175:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
175:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
175:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
175:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
175:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
175:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eym_0rx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4eyw_l0r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ez5_0rs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ezj_0sc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ezk_0sd.sdf
174:     bond    (-21.453,  74.914,  -3.292)  (-21.450,  74.940,  -3.291)  ( 0.01,  0.03,  0.01)
174:     angle   ( 14.946,   5.094,  18.557)  ( 14.949,   5.094,  18.561)  ( 0.02,  0.00,  0.02)
174:     torsion ( -0.016,  -0.004,   0.014)  ( -0.016,  -0.004,   0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -7.466,  -5.781, -10.321)  ( -7.466,  -5.781, -10.321)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 43       ( 78.263,  -2.252,   8.047)  ( 78.290,  -2.248,   8.051)  ( 0.03,  0.18,  0.06)
174:     bond    ( 77.211,  -4.184,  -9.515)  ( 77.238,  -4.183,  -9.514)  ( 0.04,  0.01,  0.01)
174:     angle   (  3.619,   3.438,  27.860)  (  3.619,   3.442,  27.863)  ( 0.00,  0.11,  0.01)
174:     torsion (  0.007,  -0.165,   0.126)  (  0.007,  -0.165,   0.126)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.573,  -1.341, -10.424)  ( -2.573,  -1.341, -10.424)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 44       (  0.559, -21.658,  75.747)  (  0.565, -21.651,  75.771)  ( 0.29,  0.03,  0.03)
174:     bond    (-15.723, -27.268,  71.326)  (-15.722, -27.264,  71.349)  ( 0.01,  0.01,  0.03)
174:     angle   ( 25.339,   8.729,   8.920)  ( 25.342,   8.732,   8.921)  ( 0.01,  0.04,  0.01)
174:     torsion (  0.198,  -0.151,  -0.014)  (  0.198,  -0.151,  -0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.254,  -2.968,  -4.484)  ( -9.254,  -2.968,  -4.484)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 45       ( 64.163,  80.826,  16.856)  ( 64.181,  80.843,  16.858)  ( 0.03,  0.02,  0.01)
174:     bond    ( 74.615,  74.402,  16.715)  ( 74.629,  74.416,  16.717)  ( 0.02,  0.02,  0.01)
174:     angle   ( -6.637,   6.301,   1.557)  ( -6.635,   6.304,   1.557)  ( 0.04,  0.04,  0.01)
174:     torsion ( -0.008,   0.091,  -0.372)  ( -0.008,   0.091,  -0.371)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -2.955,   0.013,  -0.139)  ( -2.954,   0.013,  -0.139)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.852,   0.018,  -0.906)  ( -0.852,   0.018,  -0.906)  ( 0.00,  0.00,  0.00)
174: 46       (-16.253, 103.541,  27.783)  (-16.245, 103.567,  27.786)  ( 0.05,  0.03,  0.01)
174:     bond    (-17.811,  88.988,  23.233)  (-17.810,  89.014,  23.235)  ( 0.01,  0.03,  0.01)
174:     angle   ( 54.867,  10.478,   1.919)  ( 54.872,  10.478,   1.919)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.012,  -0.370,   1.425)  (  0.012,  -0.370,   1.425)  ( 0.00,  0.00,  0.05)
174:     vdw     (-53.523,   4.113,   1.555)  (-53.521,   4.113,   1.555)  ( 0.00,  0.00,  0.01)
174:     electro (  0.202,   0.332,  -0.349)  (  0.202,   0.332,  -0.349)  ( 0.00,  0.00,  0.00)
174: 47       ( 46.686, -89.427, -26.362)  ( 46.694, -89.402, -26.359)  ( 0.02,  0.03,  0.01)
174:     bond    ( 27.135, -94.224, -26.191)  ( 27.138, -94.199, -26.189)  ( 0.01,  0.03,  0.01)
174:     angle   ( 23.097,   6.332,   1.160)  ( 23.102,   6.333,   1.160)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.042,   0.706,  -2.585)  ( -0.042,   0.706,  -2.584)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -6.905,  -1.903,   1.416)  ( -6.905,  -1.903,   1.416)  ( 0.01,  0.00,  0.00)
174:     electro (  3.401,  -0.339,  -0.162)  (  3.401,  -0.339,  -0.162)  ( 0.00,  0.00,  0.00)
174: 48       (-80.683,  -1.490,  46.931)  (-80.656,  -1.486,  46.937)  ( 0.03,  0.23,  0.01)
174:     bond    (-88.637,  -2.317,  20.880)  (-88.611,  -2.317,  20.882)  ( 0.03,  0.02,  0.01)
174:     angle   (  5.474,  -2.071,  22.996)  (  5.474,  -2.068,  23.000)  ( 0.00,  0.14,  0.01)
174:     torsion (  1.564,   0.257,   6.664)  (  1.564,   0.257,   6.664)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.917,   2.642,  -3.609)  (  0.917,   2.642,  -3.609)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 49       ( 27.346,  12.069,  61.421)  ( 27.357,  12.077,  61.439)  ( 0.04,  0.07,  0.03)
174:     bond    ( 27.464,  27.278,  46.599)  ( 27.470,  27.284,  46.615)  ( 0.02,  0.02,  0.04)
174:     angle   (-45.485,  -9.884,  32.585)  (-45.483,  -9.881,  32.586)  ( 0.01,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ezl_0se.sdf
177:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
177:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
177:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
177:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
177:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
177:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f08_1rs.sdf
175:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
175: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
175:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
175:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
175:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
175: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
175:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
175:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
175:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
175:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
175: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
175:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
175:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
175:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
175:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
175:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
175:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
175:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f0e_0ru.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f0x_0or.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f1l_0ry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f1q_0rz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f1s_f1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f2a_0sf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f2a_2ob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f2d_rb0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f2p_2el.sdf
175:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
175:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
175:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
175:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
175:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       ( 15.230,  -4.611,   1.878)  ( 15.245,  -4.609,   1.844)  ( 0.09,  0.04,  1.78)
175:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
175:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
175:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
175:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
175: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
175:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
175:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
175:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
175:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
175:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
175:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f45_dn4.sdf
177:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
177:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
177:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
177:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
177:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
177:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f46_dvn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f4b_l39.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f4d_chd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f4p_0sb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f5y_c2e.sdf
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175: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
175:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
175:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
175:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
175:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
175:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
175:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
175:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
175:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
175:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
175:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
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175:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
175:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
175:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
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174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 50       (-19.918,  78.133, -20.035)  (-19.910,  78.158, -20.031)  ( 0.04,  0.03,  0.02)
174:     bond    (-29.029,  74.253,   5.631)  (-29.025,  74.277,   5.631)  ( 0.01,  0.03,  0.01)
174:     angle   ( 10.553,   6.257, -28.126)  ( 10.556,   6.257, -28.123)  ( 0.03,  0.01,  0.01)
174:     torsion ( -0.656,  -0.240,  -0.212)  ( -0.656,  -0.240,  -0.212)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.786,  -2.136,   2.672)  ( -0.786,  -2.136,   2.672)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       ( 59.372,  24.629, -42.928)  ( 59.398,  24.633, -42.922)  ( 0.04,  0.02,  0.01)
174:     bond    ( 64.561,   5.165, -19.507)  ( 64.586,   5.165, -19.505)  ( 0.04,  0.01,  0.01)
174:     angle   (-12.918,  24.858, -36.193)  (-12.918,  24.862, -36.190)  ( 0.00,  0.01,  0.01)
174:     torsion (  0.060,   0.650,   0.370)  (  0.060,   0.650,   0.370)  ( 0.00,  0.01,  0.00)
174:     vdw     (  7.669,  -6.044,  12.403)  (  7.669,  -6.044,  12.403)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (-30.314, -16.291, -76.443)  (-30.304, -16.282, -76.426)  ( 0.03,  0.06,  0.02)
174:     bond    (-39.923, -37.279, -58.542)  (-39.916, -37.273, -58.527)  ( 0.02,  0.02,  0.03)
174:     angle   ( 10.108,  21.559, -20.629)  ( 10.111,  21.562, -20.628)  ( 0.03,  0.01,  0.01)
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174:     vdw     ( -0.797,  -0.372,   2.804)  ( -0.797,  -0.372,   2.804)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       ( 94.650,  84.772, 119.505)  ( 94.656,  84.803, 119.509)  ( 0.01,  0.04,  0.00)
174:     bond    (  2.433, -20.470,   2.878)  (  2.434, -20.442,   2.879)  ( 0.01,  0.14,  0.02)
174:     angle   ( 34.810,   5.798,  11.741)  ( 34.814,   5.798,  11.742)  ( 0.01,  0.00,  0.01)
174:     torsion (  1.481,  -0.354,  -3.766)  (  1.481,  -0.354,  -3.765)  ( 0.01,  0.00,  0.01)
174:     vdw     ( 58.022, 100.394, 109.595)  ( 58.023, 100.397, 109.597)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.096,  -0.597,  -0.943)  ( -2.096,  -0.597,  -0.943)  ( 0.00,  0.00,  0.00)
174: 54       (-23.064, -68.758,  -2.726)  (-23.057, -68.733,  -2.722)  ( 0.03,  0.04,  0.16)
174:     bond    (-23.826, -68.424,  -3.381)  (-23.823, -68.399,  -3.381)  ( 0.01,  0.04,  0.01)
174:     angle   ( -0.162,   0.040,   0.306)  ( -0.159,   0.040,   0.310)  ( 0.05,  0.00,  0.12)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.924,  -0.373,   0.349)  (  0.924,  -0.373,   0.349)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       (-40.151,  26.871,  56.321)  (-40.140,  26.881,  56.334)  ( 0.03,  0.04,  0.02)
174:     bond    (-43.020,  38.071,  45.501)  (-43.010,  38.079,  45.512)  ( 0.02,  0.02,  0.02)
174:     angle   (  0.667, -12.551,  11.129)  (  0.669, -12.548,  11.131)  ( 0.14,  0.02,  0.02)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.201,   1.351,  -0.308)  (  2.201,   1.351,  -0.308)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       (  7.916,  16.915, -72.081)  (  7.920,  16.924, -72.056)  ( 0.04,  0.05,  0.03)
174:     bond    ( -1.004,  29.140, -67.460)  ( -1.003,  29.145, -67.436)  ( 0.03,  0.02,  0.03)
174:     angle   (  7.515, -13.544,  -5.964)  (  7.518, -13.541,  -5.964)  ( 0.04,  0.02,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.405,   1.320,   1.344)  (  1.405,   1.320,   1.344)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f63_0s7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f64_0s8.sdf
175:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
175:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
175:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 36 # gradients 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f65_0s9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f6u_0sr.sdf
174/223 Test #175: test_ffmmff94_1 ..................   Passed    1.26 sec
test 178
        Start 178: test_ffmmff94_4
178: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "4"
178: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
178: Environment variables: 
178:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
178:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
178: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f6v_zym.sdf
177:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
177:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
177:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
177:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
177:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
177:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f6w_0ss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f6x_zyl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f70_0st.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f7j_0su.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f7l_0so.sdf
178: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f7n_0sv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f7s_0sw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f7v_j1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f7w_pn4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f8b_gd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f8h_rke.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f8z_bl2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f92_san.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f9b_0sy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f9c_0sx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4f9m_fcm.sdf
177:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
177:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
177:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
177:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
177:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fa2_sb0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fa3_0sl.sdf
174: 57       ( 26.171, -61.282, -57.916)  ( 26.175, -61.262, -57.905)  ( 0.02,  0.03,  0.02)
174:     bond    (  4.936, -71.331, -49.618)  (  4.937, -71.313, -49.608)  ( 0.01,  0.03,  0.02)
174:     angle   ( 21.633,  10.213, -12.532)  ( 21.637,  10.214, -12.530)  ( 0.02,  0.01,  0.01)
174:     torsion (  1.202,  -0.052,   0.194)  (  1.202,  -0.052,   0.194)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.601,  -0.112,   4.039)  ( -1.601,  -0.112,   4.039)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       ( 76.270,  22.941, -23.323)  ( 76.292,  22.950, -23.319)  ( 0.03,  0.04,  0.02)
174:     bond    ( 71.291,  39.669,  -8.011)  ( 71.312,  39.676,  -8.010)  ( 0.03,  0.02,  0.01)
174:     angle   (  7.268, -17.136, -20.161)  (  7.269, -17.134, -20.158)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.113,  -0.215,  -0.061)  (  0.113,  -0.215,  -0.061)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.401,   0.624,   4.911)  ( -2.401,   0.624,   4.911)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (-63.192, -63.428,  16.181)  (-63.170, -63.418,  16.184)  ( 0.03,  0.02,  0.02)
174:     bond    (-78.176, -47.083,   7.956)  (-78.155, -47.075,   7.957)  ( 0.03,  0.02,  0.01)
174:     angle   ( 13.238, -20.310,   9.894)  ( 13.239, -20.308,   9.897)  ( 0.01,  0.01,  0.03)
174:     torsion ( -0.006,  -0.084,  -0.554)  ( -0.006,  -0.083,  -0.554)  ( 0.00,  0.00,  0.01)
174:     vdw     (  1.752,   4.048,  -1.116)  (  1.752,   4.048,  -1.116)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       ( 51.337, -71.320,  31.040)  ( 51.354, -71.307,  31.045)  ( 0.03,  0.02,  0.02)
174:     bond    ( 69.756, -57.600,  27.076)  ( 69.771, -57.589,  27.078)  ( 0.02,  0.02,  0.01)
174:     angle   (-15.014, -15.981,   4.697)  (-15.013, -15.979,   4.699)  ( 0.01,  0.01,  0.05)
174:     torsion ( -2.419,  -2.372,   1.187)  ( -2.419,  -2.372,   1.187)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -0.986,   4.632,  -1.920)  ( -0.986,   4.633,  -1.920)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 61       ( -9.231,   4.667,  82.357)  ( -9.227,   4.672,  82.383)  ( 0.05,  0.12,  0.03)
174:     bond    ( -7.198, -23.032,  75.880)  ( -7.197, -23.029,  75.906)  ( 0.01,  0.01,  0.03)
174:     angle   ( -4.131,  30.637,   8.904)  ( -4.128,  30.641,   8.905)  ( 0.09,  0.01,  0.00)
174:     torsion (  1.717,  -0.060,   0.145)  (  1.717,  -0.060,   0.145)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.381,  -2.879,  -2.572)  (  0.381,  -2.879,  -2.572)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 62       ( 55.671,  56.605,  11.335)  ( 55.692,  56.616,  11.339)  ( 0.04,  0.02,  0.04)
174:     bond    ( 65.302,  42.165,  -5.964)  ( 65.321,  42.173,  -5.964)  ( 0.03,  0.02,  0.01)
174:     angle   ( -9.206,  17.304,  21.554)  ( -9.205,  17.306,  21.558)  ( 0.01,  0.01,  0.02)
174:     torsion ( -0.690,   0.900,  -1.189)  ( -0.690,   0.900,  -1.189)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.266,  -3.764,  -3.067)  (  0.266,  -3.764,  -3.066)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 63       (-52.640,  58.487,  10.669)  (-52.622,  58.499,  10.674)  ( 0.03,  0.02,  0.05)
174:     bond    (-57.918,  44.816, -15.152)  (-57.901,  44.826, -15.150)  ( 0.03,  0.02,  0.01)
174:     angle   (  6.047,  18.030,  30.234)  (  6.048,  18.032,  30.238)  ( 0.03,  0.01,  0.01)
174:     torsion ( -1.141,  -1.037,   1.293)  ( -1.141,  -1.037,   1.293)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.372,  -3.322,  -5.707)  (  0.372,  -3.322,  -5.706)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 36 # gradients 
174: 1..36
175/223 Test #174: test_ffghemical_1 ................   Passed    1.56 sec
test 179
        Start 179: test_ffmmff94_5
179: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "5"
179: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
179: Environment variables: 
179:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
179:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
179: Test timeout computed to be: 1500
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
177:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
177:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
177:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
177:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fa6_0ta.sdf
177:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
177:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
177:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
177:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
177:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
177:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
177:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fad_0tb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fal_0t0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fam_0sz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fap_ard.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fc0_0t2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fcb_0t7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fcd_0t6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fce_gp1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fcf_tau.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fci_gpa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fcr_0tm.sdf
177: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
177:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
177:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
177:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
177:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
177:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
177:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
177:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
177:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
177:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
177:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
177:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
177:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
178: ok 1 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : cudpas.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
178:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
178:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
178:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
178:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
178:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
178:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
178:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
178:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
178:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
178:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
178:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
178:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
178:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
178:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
178:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
178:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
178:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
178:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
178:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
178:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
178:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
178:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
178:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
178:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
178:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
178:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
178:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
178:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
178:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
178:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
178:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
178:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
178:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
178:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
178:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
178:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
178:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
178:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
178:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fdo_0t5.sdf
178:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
178:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
178:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
178:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
178:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
178:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
178:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
178:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
178:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
178:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
178:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
178:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
178:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
178:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
178:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
178:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
178:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
178:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
178:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
178:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
178:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
178: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
178:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
178:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
178:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
178: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
178:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
178:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
178:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
178:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
178:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
178:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
178:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
178: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
178:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
178:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
178:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
178:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
178:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
178: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
178:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
178:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
178:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
178:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
178:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
178: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
178:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
178:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
178:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
178:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
178: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
178:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
178:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
178:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
178:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
178:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
178:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
178:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
178:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
178:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
178:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
178:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
178:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fe6_0tq.sdf
178:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
178:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
178: ok 2 # gradients 
178: ok 3 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : fadvub.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
178:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
178:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
178:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
178:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
178:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
178:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
178:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
178:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
178:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
178:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
178:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
178:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
178:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
178:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
178:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
178:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
178:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
178:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
178:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
178:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
178:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
178:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
178:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
178:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
178:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
178:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
178:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
178:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
178:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4feq_0t8.sdf
178:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
178:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
178:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
178:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
178:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
178:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
178:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
178:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
178:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
178:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
178:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
178:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
178:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
178:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
178:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
178:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
178:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
178: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
178:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
178:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
178:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
178:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
178:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
178: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
178:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
178:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
178:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
178:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
178: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fes_0t9.sdf
177:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
177:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
177:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
177:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
177:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
177:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
177:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
177:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
177:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
177:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
178:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
178:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
178: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
178:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
178:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
178:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
178:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
178:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
178:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
178:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
178:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
178:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
178:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
178:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ff8_14s.sdf
178:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
178:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
178:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
178:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
178:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
178:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
178:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
178:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
178:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
178:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
178:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
178:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
178:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
178: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
178:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
178:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
178:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
178:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
178: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
178:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
178:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
178:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
178: ok 4 # gradients 
178: ok 5 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : fiybiy.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
178:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
178:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
178:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
178:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
178:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
178:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
178:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
178:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
178:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
178:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
178:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
178:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
178:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
178:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
178:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
178:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
178:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
178:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
178:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
178:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
178:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
178:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
178:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
178:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
178:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
178:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
178:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
178:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
178:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
178:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
178:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
178:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
178:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
178:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
178:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
178:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
178:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
178:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
178:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
178:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
178:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
178:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
178:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
178:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
178:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
178:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
178:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
178:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
178:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
178:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
178:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
178:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
178:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
178:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
178:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
178:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
178: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
178:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
178:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
178:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
178:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
178:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
178: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
178:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
178:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
178:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
178:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
178:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
178:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
178: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
177:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
177:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
177:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
177:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
177:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
177:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
177:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
177:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
177:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
177:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
177:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
177:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
177:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
177:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
177:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
177:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
178:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
178:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
178:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
178:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
178:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
178:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
178: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
178:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
178:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
178:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
178:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
178:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
178: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
178:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
178:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
178:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
178:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
178:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
178:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
178:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
178:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
178:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
178:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
178:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
178:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
178:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
178: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
178:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
178:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
178:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fgc_pq0.sdf
178:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
178:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
178:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
178:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
178:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
178:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
178:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
178:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
178:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
178:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
178:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
178: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
178:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
178:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
178:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
178:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
178:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
178:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fgg_0u5.sdf
178:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
178:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
178:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
178:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
178:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
178:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
178:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
178:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
178:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 6 # gradients 
178: ok 7 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : fizgok.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
178:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
178:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
178:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
178:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
178:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
178:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
178:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
178:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
178:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
178:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
178:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
178:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
178:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
178:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
178:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
178:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
178:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
178:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
178:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
178:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
178:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
178:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
178:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
178:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
178:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
178:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
178:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
178:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
178:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
178:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
178:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
178:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
177:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
177:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
177:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
177:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
177:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
177:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
177:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
177:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
177:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
177:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
177:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 18 # gradients 
177: ok 19 # energy 
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fgh_0u6.sdf
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
178:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
178:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
178:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
178:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
178:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
178:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
178:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
178:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
178:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
178:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
178:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
178:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
178:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
178:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
178:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
178:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
178:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
178:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
178: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
178:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
178:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
178:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
178:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
178:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
178: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
178:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
178:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
178:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
178:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
178:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
178: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
178:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
178:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
178:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
178:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
178:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
178: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
178:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
178:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
178:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
178:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
178: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
178:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
178:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
178:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
178:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
178:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
178:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
178:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
178:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
178:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
178:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
178:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
178:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
178:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
178:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
178:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
177:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
177:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
177:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
177:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
177:  2       (-60.261, -26.975,  -1.911)  (-60.251, -26.967,  -1.824)  ( 0.02,  0.03,  4.56)
177:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
177:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
177:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
177:     oop     ( -0.003,   0.003,  -0.342)  ( -0.002,   0.003,  -0.256)  ( 0.00,  0.00,  2.94)
177:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
177:  3       ( 23.923, -14.162,   0.682)  ( 23.930, -14.154,   0.630)  ( 0.03,  0.06,  3.56)
177:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
177:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.006,   0.806,   0.449)  (  0.006,   0.806,   0.450)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.002,  -0.000,   0.198)  (  0.001,  -0.000,   0.145)  ( 0.00,  0.00,  1.06)
177:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
177:  4       (  0.151,  -4.788,  -0.160)  (  0.160,  -4.776,  -0.094)  ( 0.15,  0.26,  1.05)
177:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
177:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
177:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.002,   0.006,   0.844)  (  0.002,   0.006,   0.845)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.003,  -0.003,  -0.380)  ( -0.002,  -0.003,  -0.316)  ( 0.00,  0.00,  2.45)
177:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
177:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
177:  5       ( 32.855,  54.085,  -1.761)  ( 32.859,  54.093,  -1.789)  ( 0.01,  0.01,  1.56)
177:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
177:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
177:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.000,   0.055)  (  0.001,   0.000,   0.055)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
177:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.214,   8.915,  -1.332)  ( -0.206,   8.924,  -1.372)  ( 0.18,  0.09,  3.00)
177:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
177:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
177:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fgj_1pq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fgk_0tx.sdf
179: ok 1 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : 
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
177:     torsion ( -0.474,  -0.285,  -2.183)  ( -0.474,  -0.285,  -2.182)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,   0.000,   0.253)  (  0.000,   0.000,   0.212)  ( 0.00,  0.00,  1.05)
177:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
177:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
177:  7       ( -6.401,  -0.928,  -0.439)  ( -6.387,  -0.919,  -0.348)  ( 0.22,  0.80,  4.02)
177:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
177:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
177:     torsion ( -0.007,  -0.000,   0.644)  ( -0.007,  -0.000,   0.645)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.002,  -0.000,  -0.666)  (  0.002,   0.000,  -0.576)  ( 0.00,  0.00,  6.05)
177:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
177:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
177:  8       (-50.729,  -2.197,  -0.504)  (-50.718,  -2.195,  -0.571)  ( 0.02,  0.05,  3.40)
177:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
177:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
177:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.092)  (  0.001,  -0.000,  -0.092)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
177:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
177:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
177:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
177:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
177:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
177:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
177:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
177: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
177:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
177:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
177:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
177: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
177:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
177:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
177:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
177:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
177:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
177: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
178:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
178:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
178:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
178:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
178:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
178:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
178:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
178:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
178:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
178:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
178:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 8 # gradients 
178: ok 9 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : semdix.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fh2_0rn.sdf
177:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
177:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
177:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
177:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
177:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
177: 13       (-13.749,  -4.822,   1.563)  (-13.744,  -4.816,   1.558)  ( 0.03,  0.14,  0.30)
177:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
177:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
177:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
177:     torsion (  0.058,  -4.145,   1.734)  (  0.058,  -4.145,   1.735)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,   0.000,   0.059)  (  0.001,   0.000,   0.049)  ( 0.00,  0.00,  0.06)
177:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
177: 14       (  9.601, -11.203,   4.735)  (  9.607, -11.198,   4.730)  ( 0.06,  0.04,  0.10)
177:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
177:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
177:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
177:     torsion (  2.428,   1.397,   5.331)  (  2.428,   1.397,   5.331)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.001,   0.069)  ( -0.000,   0.001,   0.058)  ( 0.00,  0.00,  0.07)
177:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
177:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
177:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
177:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
177:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
177:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
177: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
177:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
177:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
177:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
177:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
178:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
178:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
178:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
178:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
178:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
178:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
178:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
178:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
178:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
178:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
178:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
178:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
178:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
178:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
178:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
178:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
178:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
178:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
178:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
178:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
178:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
178:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
178:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
178:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
178:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
178:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
178:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
178:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fhh_0u3.sdf
179:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
179:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
179:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
179:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
179:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
179:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
179:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
179:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
179:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
179:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
179:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
179:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
179:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
179:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
179:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
179:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
179:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
179:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
179:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
179:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
179:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
179:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
179:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
179:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
179:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
179:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
179:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
179:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
177:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
177:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
177:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.949,   1.850,  -2.966)  ( -0.948,   1.851,  -2.963)  ( 0.08,  0.03,  0.10)
177:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
177:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.009,   1.445,   0.399)  ( -0.009,   1.445,   0.399)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       (  3.215,  -1.417,   1.360)  (  3.216,  -1.414,   1.361)  ( 0.03,  0.21,  0.04)
177:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
177:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.012,  -0.046)  ( -0.000,  -0.012,  -0.046)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (  1.306,   2.523,   1.573)  (  1.307,   2.525,   1.575)  ( 0.07,  0.07,  0.12)
177:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
177:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.038,   1.895,  -1.876)  ( -0.038,   1.895,  -1.876)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -3.084,   0.782,   1.224)  ( -3.081,   0.783,   1.225)  ( 0.08,  0.05,  0.13)
177:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
177:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.641,  -0.927,  -2.234)  ( -1.641,  -0.927,  -2.234)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -2.117,   4.656,   0.658)  ( -2.116,   4.658,   0.658)  ( 0.09,  0.05,  0.05)
177:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fhi_0s4.sdf
178:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
178:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
178:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
178:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
178:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
178:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
178:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
178:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
178:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
178:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
178:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
178:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
178:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
178:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
178:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
178: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
178:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
178:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
178:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
178:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
178:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
178:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
178:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
178:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
178:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
178: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fhj_0tz.sdf
179:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
179:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
179:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
179:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
179:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
179:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
179:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
179:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
179:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
179:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
179:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
179:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
179:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
179:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
179:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
179:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
179:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
179:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
179: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
179:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
179:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
179:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
179:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
179:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
179:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
179:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
179:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
179:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
179: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
178:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
178:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
178:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
178:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
178:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
178:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
178:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
178:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
178:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
178:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
178:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
178:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
178:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fhk_0u0.sdf
178:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
178:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
178:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
178:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
178:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
178:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
178:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
178:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
178:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
178:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
179:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
179:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
179:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
179:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
179:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
179:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
179: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
179:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
179:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
179:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
179:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
179:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
179:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
179:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
179: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
179:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
179:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
179:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
179:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
179:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
179:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
179: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
179:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
179:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
177:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.579,   0.295,  -1.806)  (  0.579,   0.295,  -1.806)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( -0.478,  -1.559,  -3.030)  ( -0.478,  -1.559,  -3.027)  ( 0.03,  0.04,  0.10)
177:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
177:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
177:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.889,  -0.485,   0.185)  ( -0.890,  -0.485,   0.185)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 20 # gradients 
177: ok 21 # energy 
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fia_0u9.sdf
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
178:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
178:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
178:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
178:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
178:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
178:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
178:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
178:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
178:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
178:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
178:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
178:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
178:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 10 # gradients 
178: ok 11 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : surdox02.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fic_0ul.sdf
178:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
178:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
178:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
178:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
178:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
178:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
178:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
178:  2       (  4.052,   0.153,  -9.314)  (  3.390,   0.134,  -7.713)  (16.34,  0.28, 17.19)
178:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
178:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
178:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
178:     torsion (  1.175,   0.034,  -1.921)  (  1.175,   0.034,  -1.921)  ( 0.01,  0.00,  0.02)
178:     oop     (  3.967,   0.165,  -9.805)  (  3.300,   0.138,  -8.205)  (16.80,  0.44, 16.32)
178:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       ( -8.105,  -1.860,  15.243)  ( -7.466,  -1.785,  13.960)  ( 7.89,  4.01,  8.42)
178:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
178:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
178:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.535,   0.373,  10.304)  ( -4.535,   0.373,  10.304)  ( 0.00,  0.00,  0.00)
178:     oop     ( -4.284,  -0.802,   8.672)  ( -3.652,  -0.736,   7.386)  (14.76,  5.30, 14.82)
178:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
178:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
178:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
178:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
178:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
178:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
178:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
178:  5       (  3.820,   0.567,  -5.159)  (  3.587,   0.555,  -4.838)  ( 6.10,  0.68,  6.22)
178:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
178:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
178:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
178:     torsion (  2.813,  -0.764,  -3.745)  (  2.813,  -0.764,  -3.745)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.624,   0.265,  -2.204)  (  1.388,   0.253,  -1.885)  (14.55,  0.34, 14.48)
178:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
178:  6       (  2.250,   1.416,  -5.425)  (  2.135,   1.350,  -5.124)  ( 5.11,  4.70,  5.54)
178:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
178:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
178:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
179:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
179: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
179:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
179:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
179:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
179:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
179: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
179:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
179:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
179:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
179: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
179:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
179:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
179:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
179:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
179: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
179:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
179:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
179:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
179:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
179:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
179: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
179:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
179:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
179:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
179: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
179:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fim_cel.sdf
178:     torsion (  0.969,   0.522,  -5.191)  (  0.969,   0.522,  -5.191)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.003,   0.606,  -2.371)  (  0.886,   0.536,  -2.071)  (11.64,  4.24, 12.66)
178:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
178:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
178:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
178:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
178:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
178:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
178:  8       ( -8.181,   1.288,  15.260)  ( -7.542,   1.275,  13.976)  ( 7.82,  1.04,  8.42)
178:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
178:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
178:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.529,  -0.723,  10.288)  ( -4.529,  -0.723,  10.288)  ( 0.00,  0.00,  0.00)
178:     oop     ( -4.291,   0.502,   8.691)  ( -3.658,   0.480,   7.404)  (14.75,  1.09, 14.81)
178:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
178:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
178:  9       (  3.858,  -0.382,  -5.148)  (  3.625,  -0.380,  -4.827)  ( 6.04,  0.06,  6.24)
178:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
178:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
178:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
178:     torsion (  2.804,   0.904,  -3.721)  (  2.804,   0.904,  -3.721)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.627,  -0.183,  -2.211)  (  1.390,  -0.183,  -1.891)  (14.53,  0.02, 14.45)
178:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
178: 10       (  2.285,  -1.211,  -5.461)  (  2.169,  -1.148,  -5.158)  ( 5.07,  5.24,  5.54)
178:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
178:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
178:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.973,  -0.360,  -5.204)  (  0.973,  -0.360,  -5.204)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.009,  -0.526,  -2.388)  (  0.892,  -0.466,  -2.086)  (11.64,  3.15, 12.65)
178:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
178:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
178: ok 12 # gradients 
178: ok 13 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : valwou.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fjy_fjy.sdf
179:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
179:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
179: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
179:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
179:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
179:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
179:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
179:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
179:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
179:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
179:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
179:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
179:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
178:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
178:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
178:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
178:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
178:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
178:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
178:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
178:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
178:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
178:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
178:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
178:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
178:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
178:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
178:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
178:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
178:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
178:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
178:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
178:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
178:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
178:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
178:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
178:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
178:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
178:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
178:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
178:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
177:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
177:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
177:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
177:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
177:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
177:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
177:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
177:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
177:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
177:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
177:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
177:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
177:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
177:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
177:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
177:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
177:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
177:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
177:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
177:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
177:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
177:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
177:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
177:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
177:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
177:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
177:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
177:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
177:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
178:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
178:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
178:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
178:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
178:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
178:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
178:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
178:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
178:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
178:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
178:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
178:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
178:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
178:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
178: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
178:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
178:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
178:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
178: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
178:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
178:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
178:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
178:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
178:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
178: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
179:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
179:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
179:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
179:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
179:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
179:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
179:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
179:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
179:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
179:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fjz_4fj.sdf
178:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
178:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
178:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
178:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
178:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
178: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
178:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
178:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
178:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
178:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
178:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
178:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
178:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
178:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
178:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
178: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
178:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
178:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
178:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
178:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
178:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
178:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
178:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
178:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
178:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
178: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
178:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
178:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
178:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
178:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
179:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
179:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
179:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
179: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
179:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
179:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
179:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
179:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
179:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
179: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
179:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
179:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
179: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
179:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
179:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
179:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
179: ok 2 # gradients 
179: ok 3 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  1.985,   1.075,   0.562)  (  1.994,   1.082,   0.564)  ( 0.43,  0.62,  0.10)
179:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
179:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
179:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
179:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.656,  -0.472,  -0.188)  ( -0.656,  -0.472,  -0.188)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
179:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
179:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
179:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
179:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.889,   0.122,   0.242)  (  0.890,   0.124,   0.242)  ( 0.13,  0.03,  0.01)
179:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
179:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.275,   0.006,  -0.072)  ( -0.275,   0.006,  -0.072)  ( 0.00,  0.00,  0.00)
179:  4       (  0.533,  -0.554,   0.119)  (  0.534,  -0.551,   0.119)  ( 0.07,  0.16,  0.00)
179:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
179:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
179:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.198,   0.228,  -0.045)  ( -0.198,   0.228,  -0.045)  ( 0.00,  0.00,  0.00)
179:  5       ( -1.377,  -1.164,  -0.402)  ( -1.376,  -1.161,  -0.402)  ( 0.09,  0.26,  0.01)
179:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
179:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
179:     electro (  0.472,   0.351,   0.136)  (  0.472,   0.351,   0.136)  ( 0.00,  0.00,  0.00)
179:  6       ( -2.292,  -0.999,  -0.620)  ( -2.286,  -0.988,  -0.619)  ( 0.27,  1.07,  0.09)
179:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
179:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
179:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
179:     electro (  0.894,   0.243,   0.244)  (  0.894,   0.243,   0.244)  ( 0.00,  0.00,  0.00)
179:  7       (  0.265,   0.865,   0.092)  (  0.269,   0.873,   0.093)  ( 0.11,  0.67,  0.01)
179:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
179:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.237,  -0.356,  -0.074)  ( -0.237,  -0.356,  -0.074)  ( 0.00,  0.00,  0.00)
179: ok 4 # gradients 
179: ok 5 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.639,   0.075,  -0.164)  (  0.645,   0.078,  -0.160)  ( 0.33,  0.02,  0.07)
179:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
179:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
179:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
179:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
179:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.255,   0.090,  -0.157)  ( -0.255,   0.090,  -0.157)  ( 0.00,  0.00,  0.00)
179:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
179:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
179:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
179:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
179:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -2.634,   4.586,  -7.960)  ( -2.632,   4.583,  -7.958)  ( 0.10,  0.07,  0.03)
179:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
179:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
179:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
179:     electro (  0.850,  -1.532,   2.661)  (  0.850,  -1.532,   2.661)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
179:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
179:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
179:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
179:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
179:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
179:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.729,  -1.632,   2.845)  ( -0.727,  -1.654,   2.835)  ( 0.10,  1.35,  0.35)
179:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
179:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
179:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
179:     electro (  0.249,   0.553,  -0.960)  (  0.249,   0.553,  -0.960)  ( 0.00,  0.00,  0.00)
179:  6       (  2.555,  -2.666,   4.624)  (  2.560,  -2.683,   4.614)  ( 0.20,  0.63,  0.20)
179:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
179:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fk3_325.sdf
178:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
178:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
178:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
178:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
178:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
178:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
178:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
178:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
178:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
178:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
178:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
178:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
178:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
178:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
178:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
178:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
179:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
179:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.845,   0.890,  -1.543)  ( -0.845,   0.890,  -1.543)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
179:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
179:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
179:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
179:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
179:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
179:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
179:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 6 # gradients 
179: ok 7 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  2.140,  -0.166,   0.754)  (  2.145,  -0.160,   0.760)  ( 0.24,  0.10,  0.43)
179:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
179:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
179:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
179:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.570,   0.183,  -0.250)  ( -0.570,   0.183,  -0.250)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
179:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
179:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
179:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
179:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
179:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
179:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
179:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
179:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
179:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
179:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
179:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
179:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
179:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
179:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
179:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fk6_0uj.sdf
179:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
179:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( -2.349,   0.240,  -0.842)  ( -2.356,   0.262,  -0.794)  ( 0.32,  0.54,  4.02)
179:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
179:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
179:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
179:     electro (  0.727,  -0.117,   0.266)  (  0.727,  -0.117,   0.266)  ( 0.00,  0.00,  0.00)
179:  8       (  0.435,  -0.189,   0.589)  (  0.427,  -0.172,   0.621)  ( 0.38,  0.32,  1.92)
179:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
179:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
179:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.157,  -0.066,  -0.016)  ( -0.157,  -0.066,  -0.016)  ( 0.00,  0.00,  0.00)
179: ok 8 # gradients 
179: ok 9 # energy 
179: ----------------------------------------------------------------------------------------
177:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
177:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
177:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
177:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
177:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
177:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
177:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
177:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
177:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
177:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
177:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
177:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
177:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
177:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
177:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
177:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
177:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
177:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
177:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
177:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
177:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
177:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
177:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
177:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
177:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
179:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
179:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
179:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
179:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
179:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
179:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
179:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
179:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
179:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
179:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
179:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
179:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
179:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
179:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
179:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
179:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
179:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
179:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
179:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
179:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
179:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
179:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
179:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
179:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
179:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 10 # gradients 
179: ok 11 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
179:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
179:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
179:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
179:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
179:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
179:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
179:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
179:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
179:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
179:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
179:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
179:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
179:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
179:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
179:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
179:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
179:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
179:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
178:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
178:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
178:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
178:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
178:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
178:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
178:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
178:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
178:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
178:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
178:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
178:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
178:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
178:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
178:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
178:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
178:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 14 # gradients 
178: ok 15 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : vuwxug.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  3.869,   2.130,  -0.620)  (  3.613,   1.990,  -0.587)  ( 6.61,  6.59,  2.03)
178:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
178:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
178:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
178:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.651,   0.927,  -0.264)  (  1.394,   0.784,  -0.232)  (15.54, 13.24,  0.84)
178:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
178:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
178:  2       (  4.195,   1.244,  -0.194)  (  3.655,   1.086,  -0.159)  (12.86, 12.64,  0.68)
178:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
178:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
178:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
178:     torsion (  5.123,   1.707,  -0.094)  (  5.124,   1.707,  -0.094)  ( 0.01,  0.00,  0.00)
178:     oop     (  3.384,   0.966,  -0.184)  (  2.844,   0.804,  -0.160)  (15.97, 15.69,  0.44)
178:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
178:  3       (-13.485,  -5.099,   2.472)  (-12.579,  -4.741,   2.343)  ( 6.72,  7.01,  5.25)
178:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
178:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
178:     torsion (-13.583,  -4.422,   0.322)  (-13.582,  -4.422,   0.322)  ( 0.00,  0.00,  0.00)
178:     oop     ( -6.172,  -2.314,   1.085)  ( -5.268,  -1.962,   0.948)  (14.65, 15.20, 12.64)
178:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
178:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
178:  4       (  0.015,   0.009,  -0.021)  (  0.130,   0.041,  -0.020)  ( 0.18,  0.03,  0.00)
178:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
178:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
178:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.551,  -0.406,   0.107)  ( -1.551,  -0.406,   0.107)  ( 0.01,  0.00,  0.00)
178:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
178:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
178:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
178:  5       (  5.402,   1.718,  -1.674)  (  5.102,   1.621,  -1.576)  ( 5.55,  5.65,  5.91)
178:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
178:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
178:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
178:     torsion (  4.479,   0.424,  -0.834)  (  4.479,   0.424,  -0.834)  ( 0.00,  0.00,  0.00)
178:     oop     (  2.303,   0.738,  -0.718)  (  2.003,   0.639,  -0.623)  (13.05,  7.29,  6.82)
178:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
178:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
178:  6       ( -4.199,  -1.254,   0.172)  ( -3.655,  -1.086,   0.159)  (12.96, 13.38,  0.22)
178:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
178:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
178:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
178:     torsion ( -5.124,  -1.707,   0.094)  ( -5.124,  -1.707,   0.094)  ( 0.01,  0.00,  0.00)
178:     oop     ( -3.387,  -0.966,   0.184)  ( -2.844,  -0.804,   0.160)  (16.04, 15.71,  0.44)
178:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
178:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
178:  7       ( 13.481,   5.087,  -2.487)  ( 12.579,   4.741,  -2.343)  ( 6.69,  6.79,  5.82)
178:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
178:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
178:     torsion ( 13.582,   4.422,  -0.322)  ( 13.582,   4.422,  -0.322)  ( 0.00,  0.00,  0.00)
178:     oop     (  6.172,   2.314,  -1.085)  (  5.268,   1.962,  -0.948)  (14.64, 15.20, 12.65)
178:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
178:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.016,  -0.012,   0.004)  ( -0.130,  -0.041,   0.020)  ( 0.18,  0.04,  0.01)
178:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
178:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
178:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.551,   0.406,  -0.107)  (  1.551,   0.406,  -0.107)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
178:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
178:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
178:  9       ( -3.870,  -2.135,   0.618)  ( -3.613,  -1.990,   0.587)  ( 6.65,  6.81,  1.92)
178:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
178:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
178:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
178:     oop     ( -1.651,  -0.927,   0.264)  ( -1.394,  -0.784,   0.232)  (15.54, 13.24,  0.84)
178:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
178:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
178: 10       ( -5.402,  -1.721,   1.667)  ( -5.102,  -1.621,   1.576)  ( 5.57,  5.84,  5.47)
178:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
178:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
178:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.480,  -0.424,   0.834)  ( -4.479,  -0.424,   0.834)  ( 0.00,  0.00,  0.00)
178:     oop     ( -2.303,  -0.738,   0.718)  ( -2.003,  -0.639,   0.623)  (13.05,  7.29,  6.82)
178:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
178:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
178: ok 16 # gradients 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fkj_11k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fkr_45k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fks_46k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fkt_48k.sdf
176/223 Test #178: test_ffmmff94_4 ..................   Passed    0.18 sec
test 180
        Start 180: test_ffmmff94_6
180: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "6"
180: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
180: Environment variables: 
180:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
180:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
180: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fkv_61k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fkw_62k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fl6_uwn.sdf
179:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
179:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
179:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
179:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 12 # gradients 
179: ok 13 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fl9_tmo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4flh_14k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fli_y16.sdf
180: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fll_yz6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fm5_df0.sdf
177:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
177:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
177:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
177:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
177:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
177:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
177:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
177:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
177:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
177:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
177:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
177:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
177:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
177:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
177:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
177:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
177:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
177:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
177:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
177:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: ==============================
180: *** Open Babel Error  in SafeOpen
180:   Unable to open file '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt' in read mode
180: Bail out! Cannot read file /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt
177/223 Test #180: test_ffmmff94_6 ..................   Passed    0.01 sec
test 181
        Start 181: test_ffuff_1
181: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffuff" "1"
181: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
181: Environment variables: 
181:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
181:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
181: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fm7_0up.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fm8_0uq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fnc_hmu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fnt_raf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fny_i3k.sdf
181: # Testing UFF Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fnz_nzf.sdf
179:  1       ( -0.184,  -0.156,  -0.178)  ( -0.177,  -0.152,  -0.170)  ( 0.15,  0.07,  0.14)
179:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
179:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
179:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
179:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
179:     electro (  0.124,  -0.062,  -0.090)  (  0.124,  -0.062,  -0.090)  ( 0.00,  0.00,  0.00)
179:  2       (  0.845,  -0.251,   0.614)  (  0.850,  -0.233,   0.583)  ( 0.37,  0.45,  1.87)
179:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
179:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
179:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
179:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.230,  -0.094,  -0.119)  ( -0.230,  -0.094,  -0.119)  ( 0.00,  0.00,  0.00)
179:  3       (  0.073,   0.716,   1.596)  (  0.084,   0.707,   1.644)  ( 0.08,  0.65,  3.02)
179:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
179:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
179:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
179:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.037,  -0.384,  -0.455)  ( -0.037,  -0.384,  -0.455)  ( 0.00,  0.00,  0.00)
179:  4       ( -1.358,  -0.473,  -0.649)  ( -1.353,  -0.260,  -0.780)  ( 0.39, 10.03,  8.48)
179:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
179:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
179:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
179:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
179:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
179:     electro (  0.584,   0.223,   0.317)  (  0.584,   0.223,   0.317)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.945,  -0.437,  -0.547)  ( -0.950,  -0.380,  -0.686)  ( 0.41,  2.50,  7.61)
179:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
179:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
179:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
179:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
179:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
179:     electro (  0.425,   0.115,  -0.080)  (  0.425,   0.115,  -0.080)  ( 0.00,  0.00,  0.00)
179:  6       (  0.533,   0.106,  -0.757)  (  0.541,   0.107,  -0.740)  ( 0.44,  0.00,  1.34)
179:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
179:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
179:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fob_0us.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4foc_0uu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fod_0uv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4for_flp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fp1_bfm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fps_0ux.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fqo_az3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fr1_0v2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fr3_0v4.sdf
179:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
179:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.081,  -0.031,  -0.054)  ( -0.081,  -0.031,  -0.054)  ( 0.00,  0.00,  0.00)
179:  7       (  4.182,  -0.110,  -2.955)  (  4.161,  -0.952,  -2.296)  ( 0.49,  9.24, 22.30)
179:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
179:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
179:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
179:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
179:     electro ( -1.488,  -0.244,   0.085)  ( -1.488,  -0.244,   0.085)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.923,   7.274,   9.287)  ( -1.901,   8.167,   8.906)  ( 1.12, 12.27,  4.10)
179:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
179:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
179:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
179:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.137,  -0.875,   0.186)  ( -0.137,  -0.875,   0.186)  ( 0.00,  0.00,  0.00)
179:  9       (  6.140,  -3.439,  -4.350)  (  6.157,  -3.721,  -4.188)  ( 0.27,  8.20,  3.73)
179:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
179:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
179:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.185,  -0.133,  -1.092)  ( -1.185,  -0.133,  -1.092)  ( 0.00,  0.00,  0.00)
179: 10       (  1.503,  -0.193,   0.092)  (  1.469,  -0.420,  -0.248)  ( 2.28,  4.37,  3.13)
179:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
179:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
179:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
179:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.168,  -0.118,  -0.159)  ( -0.168,  -0.118,  -0.159)  ( 0.00,  0.00,  0.00)
179: 11       ( -3.382,   0.002,   1.664)  ( -3.375,   0.163,   2.211)  ( 0.21,  0.04, 32.88)
179:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
179:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
179:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
179:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
179:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
179:     electro (  1.070,  -0.081,  -0.735)  (  1.070,  -0.081,  -0.735)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.151,  -0.223,  -0.298)  ( -0.144,  -0.255,  -0.423)  ( 0.09,  0.71,  3.72)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fr6_0v3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fr8_tng.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fs3_0we.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fse_0va.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fsl_0vb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fsm_hk1.sdf
177:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
177:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
177:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
177:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
177:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
177:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
177:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
177:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
177:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
177:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
177:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
177:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
177:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
177:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
177:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
177:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
177:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
177:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
177:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
177:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
177:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
177:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fsq_hk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fsr_hkc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fst_hk4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fsu_hk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fsy_hk7.sdf
179:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
179:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
179:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
179:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
179:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
179:     electro (  0.066,   0.037,   0.059)  (  0.066,   0.037,   0.059)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.934,   4.770,   0.246)  ( -0.930,   4.786,   0.303)  ( 0.38,  0.34,  1.41)
179:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
179:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
179:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
179:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.327,  -0.020,  -0.411)  ( -0.327,  -0.020,  -0.411)  ( 0.00,  0.00,  0.00)
179: 14       (  6.423,  -5.117,   0.699)  (  6.432,  -5.100,   0.728)  ( 0.14,  0.33,  2.05)
179:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
179:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
179:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
179:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
179:     electro (  0.097,  -0.098,  -0.124)  (  0.097,  -0.098,  -0.124)  ( 0.00,  0.00,  0.00)
179: 15       ( -5.131,   0.618,  -0.838)  ( -5.081,   0.621,  -0.540)  ( 0.97,  0.16, 24.88)
179:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
179:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
179:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
179:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
179:     electro (  0.001,  -0.002,   0.071)  (  0.001,  -0.002,   0.071)  ( 0.00,  0.00,  0.00)
179: 16       ( -0.060,   0.192,   1.754)  ( -0.067,   0.202,   1.620)  ( 0.04,  0.20,  7.61)
179:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
179:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
179:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
179:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.079,  -0.002,  -0.273)  ( -0.079,  -0.002,  -0.273)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.394,   0.572,   1.427)  ( -0.386,   0.578,   1.432)  ( 0.31,  0.35,  0.35)
179:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
179:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
179:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ft0_hk9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ft5_h2k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ft7_h3k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fta_h5k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftc_h6k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fti_h7k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftj_h8k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftk_h9k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftl_h0k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftm_1hk.sdf
177:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
177:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
177:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
177:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
177:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
177:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
177:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
177:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
177:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
177:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
177:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
177:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
177:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
177:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
177: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
177:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
177:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
177:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
177:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
177:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
177:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.064,  -0.097,  -0.125)  ( -0.064,  -0.097,  -0.125)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.671,  -0.480,   0.669)  ( -0.666,  -0.470,   0.643)  ( 0.29,  0.48,  1.73)
179:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
179:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
179:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
179:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
179:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.059,   0.157,  -0.040)  ( -0.059,   0.157,  -0.040)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.361,   0.252,  -0.085)  ( -0.352,   0.256,  -0.053)  ( 0.36,  0.11,  0.27)
179:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
179:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
179:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
179:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.147,  -0.161,  -0.052)  ( -0.147,  -0.161,  -0.052)  ( 0.00,  0.00,  0.00)
179: 20       (  0.033,   0.210,  -0.198)  (  0.028,   0.218,  -0.269)  ( 0.01,  0.15,  1.41)
179:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
179:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
179:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
179:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.159,  -0.145,  -0.065)  ( -0.159,  -0.145,  -0.065)  ( 0.00,  0.00,  0.00)
179: 21       (  0.580,  -0.053,  -0.235)  (  0.591,  -0.122,  -0.471)  ( 0.61,  0.37,  5.54)
179:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
179:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
179:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
179:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.170,   0.037,   0.202)  ( -0.170,   0.037,   0.202)  ( 0.00,  0.00,  0.00)
179: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
179:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
179:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
179:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
179:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
179:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftn_2hk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fto_3hk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftq_4hk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftr_5hk.sdf
177:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
177: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
177:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
177:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
177:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
177:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
177:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
177:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
177:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
177:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
177:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
177:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
177:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
177:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
177:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
177:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
177:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
177:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
177:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
177:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
179:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
179:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
179:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -2.968,  -0.603,  -1.089)  ( -2.963,  -0.598,  -1.087)  ( 0.17,  0.31,  0.24)
179:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
179:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
179:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
179:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
179:     electro (  0.991,   0.199,   0.382)  (  0.991,   0.199,   0.382)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
179:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
179:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
179:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
179:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -2.572,   0.175,  -0.401)  ( -2.567,   0.181,  -0.395)  ( 0.18,  0.10,  0.23)
179:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
179:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
179:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
179:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
179:     electro (  0.781,  -0.052,   0.181)  (  0.781,  -0.052,   0.181)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
179:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
179:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
179:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
179:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( -7.675,  -0.990,   1.850)  ( -7.670,  -0.984,   1.855)  ( 0.07,  0.60,  0.26)
179:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
179:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
179:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
179:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftt_6hk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ftu_7hk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fu7_1up.sdf
181: ok 1 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
181:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
181:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
181:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
181:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
181:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
181:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
181:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
181:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
181:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
181:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
181:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
181:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
181:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
181:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
181:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
181:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
181:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
181:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
181:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
181:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
181:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
181:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
181:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
181:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
181:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
181:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
181:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
181:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
177:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
177:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
177:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
177:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
177:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
177:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
177:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
177:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
177:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
177:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
177:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
177:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
177:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
177:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
177:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
181:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
181:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
181:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
181:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
181:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
181:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
181:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
181:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
181:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
181:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
181:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
181:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
181:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
181:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
181:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
181:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
181:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
181:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
181:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
181:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
181:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
181:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
181:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
181:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
181:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
181:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
181:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
181:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fu8_2up.sdf
179:     electro (  2.504,   0.432,  -0.598)  (  2.504,   0.432,  -0.598)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.232,  -0.372,  -1.097)  ( -0.323,  -0.236,  -1.026)  ( 2.10,  5.04,  6.49)
179:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
179:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
179:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
179:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
179:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
179:     electro (  0.048,   0.168,   0.357)  (  0.048,   0.168,   0.357)  ( 0.00,  0.00,  0.00)
179: 30       (  1.016,   2.220,   3.568)  (  1.737,   1.301,   3.105)  (70.91, 41.39, 12.97)
179:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
179:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
179:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
179:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
179:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
179:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.686,  -0.273,  -1.017)  ( -0.686,  -0.273,  -1.017)  ( 0.00,  0.00,  0.00)
179: 31       (  2.419,  -0.986,  -2.275)  (  2.104,  -0.579,  -2.060)  (13.02, 40.06,  9.46)
179:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
179:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
179:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.512,  -0.127,   0.402)  ( -0.512,  -0.127,   0.402)  ( 0.00,  0.00,  0.00)
179: 32       (  5.348,   0.730,  -4.432)  (  5.046,   1.120,  -4.230)  ( 5.64, 28.45,  4.56)
179:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
179:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
179:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.046,   0.178,   1.533)  ( -2.046,   0.178,   1.533)  ( 0.00,  0.00,  0.00)
179: 33       (  7.505,  -1.009,   1.807)  (  7.506,  -1.002,   1.810)  ( 0.01,  0.66,  0.20)
179:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
179:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.810,   0.456,  -0.648)  ( -2.810,   0.456,  -0.648)  ( 0.00,  0.00,  0.00)
179: 34       ( 10.521,   3.577,  -4.419)  ( 10.527,   3.578,  -4.416)  ( 0.06,  0.02,  0.08)
179:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
179:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
181:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
181:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
181:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
181:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
181:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
181:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
181:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
181:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
181:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
181:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
181:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
181:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
181:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
181:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
181:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
181:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
181:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
181:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
181:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
181:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
181:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
181:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
181:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
181:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
181:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
181:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
181:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
181:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
181:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
181:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
181:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
181:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
181:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
181:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
181:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
181:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
181:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
181:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
181:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
181:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
181:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
181:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
181:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
181:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
181:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
181:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
181:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
181:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
177:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
177:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
177:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
177:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
177:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
177:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
177:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
177:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
177:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
177:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
177:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
177:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
177:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
181: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
181:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
181:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
181:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
181:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
181:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
181:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
181:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
181:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
181:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
181:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
181:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
181:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
181:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
181:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
181:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
181:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
181:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
181:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
179:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
179:     electro ( -3.494,  -1.009,   1.492)  ( -3.494,  -1.009,   1.492)  ( 0.00,  0.00,  0.00)
179: 35       (  0.612,  -0.567,  -0.708)  (  0.616,  -0.568,  -0.704)  ( 0.25,  0.04,  0.32)
179:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
179:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
179:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.132,   0.038,   0.062)  ( -0.132,   0.038,   0.062)  ( 0.00,  0.00,  0.00)
179: 36       ( -0.249,  -1.029,   0.334)  ( -0.247,  -1.029,   0.343)  ( 0.05,  0.03,  0.32)
179:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
179:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
179:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
179:     electro (  0.086,   0.132,   0.117)  (  0.086,   0.132,   0.117)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.459,   0.450,  -0.189)  ( -1.459,   0.459,  -0.205)  ( 0.02,  0.38,  0.31)
179:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
179:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
179:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
179:     electro (  0.518,  -0.270,   0.365)  (  0.518,  -0.270,   0.365)  ( 0.00,  0.00,  0.00)
179: 38       (  0.697,  -0.095,  -1.643)  (  0.702,  -0.112,  -1.585)  ( 0.38,  0.16,  3.53)
179:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
179:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
179:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
179:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.094,   0.142,   0.101)  ( -0.094,   0.142,   0.101)  ( 0.00,  0.00,  0.00)
179: 39       (  0.579,   0.285,  -1.567)  (  0.582,   0.284,  -1.555)  ( 0.17,  0.03,  0.77)
179:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
179:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
179:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.066,  -0.083,   0.009)  ( -0.066,  -0.083,   0.009)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
181:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
181:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
181:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
181:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
181:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
181:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
181:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
181:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
181:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
181:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
181:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
181:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
181:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
181:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
181:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
181:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
181:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
181:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
181:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
181:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
181:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
181:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
181:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
181:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
181:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
181:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
181:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
181:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 2 # gradients 
181: ok 3 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (  1.733,  15.535,  -2.708)  (  1.768,  15.569,  -2.688)  ( 2.02,  0.22,  0.73)
181:     bond    ( 36.601,  -0.298,   9.660)  ( 36.629,  -0.276,   9.662)  ( 0.08,  0.65,  0.02)
181:     angle   (-34.951,  16.312,  -8.707)  (-34.945,  16.324,  -8.707)  ( 0.02,  0.07,  0.00)
181:     torsion (  0.899,   0.109,  -3.428)  (  0.900,   0.109,  -3.411)  ( 0.10,  0.00,  0.49)
181:     oop     ( -0.001,  -0.000,   0.001)  ( -0.000,  -0.000,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.816,  -0.587,  -0.234)  ( -0.816,  -0.587,  -0.234)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (151.770, -56.591, -673.348)  (153.483, -56.550, -652.718)  ( 1.13,  0.07,  3.06)
181:     bond    (-73.273, -40.784, -20.641)  (-73.245, -40.761, -20.639)  ( 0.04,  0.06,  0.01)
181:     angle   ( 49.771, -31.536,  12.075)  ( 49.779, -31.523,  12.077)  ( 0.02,  0.04,  0.02)
181:     torsion (175.271,  15.729, -664.778)  (176.947,  15.734, -644.154)  ( 0.96,  0.03,  3.10)
181:     oop     (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 11.806,  -5.798,   2.973)  ( 11.813,  -5.787,   2.977)  ( 0.06,  0.19,  0.14)
181:     bond    (  2.228,   3.391,   0.698)  (  2.233,   3.401,   0.698)  ( 0.20,  0.30,  0.03)
181:     angle   ( 13.563,  -9.579,   3.275)  ( 13.565,  -9.578,   3.275)  ( 0.02,  0.01,  0.00)
181:     torsion ( -0.011,  -0.001,   0.038)  ( -0.011,  -0.001,   0.041)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.974,   0.392,  -1.037)  ( -3.974,   0.392,  -1.037)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 14.242,   5.943,   3.893)  ( 14.248,   5.955,   3.897)  ( 0.04,  0.21,  0.10)
181:     bond    (  3.136,  -6.002,   0.637)  (  3.139,  -5.991,   0.637)  ( 0.10,  0.19,  0.01)
181:     angle   ( 22.453,  12.440,   6.327)  ( 22.455,  12.441,   6.327)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.013,   0.002,  -0.055)  (  0.014,   0.002,  -0.052)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.361,  -0.496,  -3.015)  (-11.361,  -0.496,  -3.015)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-17.209, -11.517,  -0.591)  (-17.203, -11.504,  -0.586)  ( 0.04,  0.11,  0.32)
181:     bond    (  0.266,  -0.558,   0.053)  (  0.269,  -0.546,   0.054)  ( 0.08,  0.66,  0.00)
181:     angle   (-20.390, -10.603,  -5.721)  (-20.387, -10.602,  -5.720)  ( 0.01,  0.01,  0.00)
181:     torsion ( -1.066,  -0.129,   4.031)  ( -1.065,  -0.129,   4.036)  ( 0.03,  0.00,  0.13)
181:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.981,  -0.227,   1.044)  (  3.981,  -0.227,   1.044)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-372.179,  47.701, 1341.442)  (-363.825,  47.767, 1443.549)  ( 2.24,  0.14,  7.61)
181:     bond    ( 44.275,  62.791,  13.700)  ( 44.295,  62.831,  13.702)  ( 0.04,  0.06,  0.01)
181:     angle   (-26.067,  19.537,  -6.133)  (-26.059,  19.542,  -6.123)  ( 0.03,  0.02,  0.15)
181:     torsion (-401.951, -35.014, 1330.809)  (-393.626, -34.991, 1432.904)  ( 2.07,  0.07,  7.67)
181:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.565,   0.386,   3.065)  ( 11.565,   0.386,   3.065)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (197.185,   4.513, -825.382)  (199.717,   4.550, -794.431)  ( 1.28,  0.80,  3.75)
181:     bond    (-13.334, -18.685,  -4.116)  (-13.320, -18.657,  -4.115)  ( 0.11,  0.15,  0.04)
181:     angle   ( -4.410,   3.395,  -1.131)  ( -4.408,   3.396,  -1.128)  ( 0.04,  0.03,  0.25)
181:     torsion (214.325,  19.270, -820.312)  (216.841,  19.277, -789.365)  ( 1.17,  0.04,  3.77)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.604,   0.534,   0.177)  (  0.604,   0.534,   0.177)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 4 # gradients 
181: ok 5 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 40.034,  81.741, -137.730)  ( 40.064,  81.759, -137.705)  ( 0.07,  0.02,  0.02)
181:     bond    ( 80.618,   6.003, -10.147)  ( 80.638,   6.021, -10.129)  ( 0.02,  0.30,  0.18)
181:     angle   (-26.047,  65.441, -112.824)  (-26.038,  65.449, -112.813)  ( 0.04,  0.01,  0.01)
181:     torsion ( -0.314,   2.650,  -1.502)  ( -0.314,   2.652,  -1.500)  ( 0.00,  0.10,  0.13)
181:     oop     ( -0.000,   0.071,   0.042)  ( -0.000,   0.060,   0.035)  ( 0.00,  0.08,  0.03)
181:     vdw     (-14.222,   7.576, -13.299)  (-14.222,   7.576, -13.299)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-77.104, -139.691, 232.139)  (-77.049, -139.571, 232.243)  ( 0.07,  0.09,  0.04)
181:     bond    ( 24.274, -26.329,  45.326)  ( 24.304, -26.317,  45.362)  ( 0.12,  0.05,  0.08)
181:     angle   (-101.417, -109.290, 188.550)  (-101.392, -109.285, 188.561)  ( 0.02,  0.00,  0.01)
181:     torsion (  0.039,  -3.547,  -1.434)  (  0.039,  -3.539,  -1.431)  ( 0.00,  0.23,  0.20)
181:     oop     ( -0.000,  -0.525,  -0.303)  ( -0.000,  -0.430,  -0.249)  ( 0.00,  5.00,  1.64)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-31.877,  -2.025,   1.109)  (-31.862,  -2.034,   1.121)  ( 0.05,  0.45,  1.05)
181:     bond    (-14.354, -14.094,  24.209)  (-14.347, -14.088,  24.229)  ( 0.05,  0.05,  0.08)
181:     angle   (-20.650,   5.239,  -9.179)  (-20.642,   5.239,  -9.177)  ( 0.04,  0.01,  0.02)
181:     torsion (  0.001,  -1.001,  -0.581)  (  0.001,  -0.999,  -0.580)  ( 0.00,  0.22,  0.04)
181:     oop     ( -0.000,   0.093,   0.054)  ( -0.000,   0.075,   0.043)  ( 0.00,  0.17,  0.06)
181:     vdw     (  3.126,   7.739, -13.395)  (  3.126,   7.739, -13.395)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 95.636, 128.805, -196.780)  ( 95.687, 128.644, -196.844)  ( 0.05,  0.13,  0.03)
181:     bond    (-89.693,  75.277, -132.994)  (-89.659,  75.286, -132.965)  ( 0.04,  0.01,  0.02)
181:     angle   (173.432,  42.177, -72.645)  (173.448,  42.180, -72.637)  ( 0.01,  0.01,  0.01)
181:     torsion (  0.082,  11.261,   6.468)  (  0.082,  11.270,   6.471)  ( 0.00,  0.08,  0.05)
181:     oop     ( -0.002,   1.098,   0.628)  ( -0.002,   0.916,   0.524)  ( 0.00, 16.58,  6.55)
181:     vdw     ( 11.817,  -1.008,   1.764)  ( 11.817,  -1.008,   1.764)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-61.047, -45.589,  66.224)  (-61.039, -45.512,  66.279)  ( 0.01,  0.17,  0.08)
181:     bond    (-38.907, -40.200,  71.261)  (-38.903, -40.195,  71.275)  ( 0.01,  0.01,  0.02)
181:     angle   (-37.911,   9.172, -15.518)  (-37.907,   9.172, -15.518)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.075,  -6.078,  -3.468)  ( -0.075,  -6.075,  -3.467)  ( 0.00,  0.04,  0.02)
181:     oop     ( -0.001,  -0.383,  -0.216)  ( -0.000,  -0.313,  -0.177)  ( 0.00,  2.70,  0.86)
181:     vdw     ( 15.846,  -8.100,  14.165)  ( 15.846,  -8.100,  14.166)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 90.579, -16.110,  22.603)  ( 90.602, -16.055,  22.637)  ( 0.03,  0.34,  0.15)
181:     bond    ( 82.156,   3.085,  -4.208)  ( 82.179,   3.085,  -4.208)  ( 0.03,  0.01,  0.01)
181:     angle   (  1.185,  -9.564,  16.125)  (  1.185,  -9.562,  16.129)  ( 0.00,  0.01,  0.02)
181:     torsion (  0.017,  -2.241,  -1.310)  (  0.017,  -2.239,  -1.309)  ( 0.00,  0.08,  0.05)
181:     oop     (  0.003,  -0.360,  -0.206)  (  0.003,  -0.308,  -0.176)  ( 0.00,  1.90,  0.62)
181:     vdw     (  7.218,  -7.031,  12.201)  (  7.218,  -7.031,  12.201)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-15.415, -45.825,   3.849)  (-15.412, -45.812,   3.852)  ( 0.02,  0.03,  0.06)
181:     bond    (-12.697, -43.343,   0.901)  (-12.696, -43.331,   0.901)  ( 0.01,  0.03,  0.02)
181:     angle   (  3.867,  -1.050,   4.033)  (  3.869,  -1.050,   4.035)  ( 0.07,  0.02,  0.05)
181:     torsion (  0.147,  -0.013,   1.444)  (  0.147,  -0.013,   1.445)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.732,  -1.418,  -2.528)  ( -6.732,  -1.418,  -2.528)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-15.654,  19.646,  41.522)  (-15.650,  19.651,  41.533)  ( 0.02,  0.02,  0.03)
181:     bond    (-12.853,  20.568,  38.148)  (-12.852,  20.570,  38.158)  ( 0.01,  0.01,  0.03)
181:     angle   (  3.943,  -2.997,   2.943)  (  3.946,  -2.995,   2.944)  ( 0.06,  0.05,  0.02)
181:     torsion (  0.102,  -0.850,   0.492)  (  0.102,  -0.850,   0.492)  ( 0.00,  0.04,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.846,   2.925,  -0.061)  ( -6.846,   2.925,  -0.061)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-25.346,  18.925, -33.125)  (-25.341,  18.930, -33.115)  ( 0.02,  0.03,  0.03)
181:     bond    (-18.667,  18.966, -32.631)  (-18.664,  18.968, -32.623)  ( 0.01,  0.01,  0.03)
181:     angle   (  3.528,   0.851,  -1.525)  (  3.530,   0.852,  -1.524)  ( 0.06,  0.14,  0.06)
181:     torsion (  0.000,  -0.208,  -0.121)  (  0.000,  -0.208,  -0.121)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.207,  -0.683,   1.153)  (-10.207,  -0.683,   1.153)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 6 # gradients 
181: ok 7 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-124.901, 251.533, -128.003)  (-124.865, 251.566, -127.974)  ( 0.03,  0.01,  0.02)
181:     bond    (-241.892, 155.872, -136.876)  (-241.868, 155.893, -136.855)  ( 0.01,  0.01,  0.02)
181:     angle   ( 70.553,  74.197,  -4.267)  ( 70.564,  74.208,  -4.258)  ( 0.02,  0.02,  0.22)
181:     torsion ( -4.351,   0.235,   7.936)  ( -4.351,   0.234,   7.936)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 50.789,  21.230,   5.204)  ( 50.790,  21.230,   5.204)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (103.796, -158.227,  60.957)  (103.798, -158.154,  61.078)  ( 0.00,  0.05,  0.20)
181:     bond    (177.662, -154.078, 115.966)  (177.695, -154.065, 115.971)  ( 0.02,  0.01,  0.00)
181:     angle   (-79.371,   2.427, -37.672)  (-79.369,   2.439, -37.667)  ( 0.00,  0.49,  0.01)
181:     torsion (  5.287,  -6.260, -16.624)  (  5.287,  -6.260, -16.625)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.219,  -0.317,  -0.712)  (  0.185,  -0.268,  -0.601)  ( 0.74,  1.57,  7.93)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 21.862, -52.031, -15.008)  ( 21.866, -52.018, -15.006)  ( 0.02,  0.03,  0.02)
181:     bond    ( -1.880, -40.652,  -7.746)  ( -1.881, -40.638,  -7.745)  ( 0.01,  0.03,  0.00)
181:     angle   (-29.923,   3.090,  -8.952)  (-29.920,   3.090,  -8.950)  ( 0.01,  0.00,  0.03)
181:     torsion (  2.863,   0.677,  -4.249)  (  2.863,   0.677,  -4.249)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 50.802, -15.147,   5.939)  ( 50.803, -15.147,   5.938)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 43.159,  11.809,  -5.068)  ( 43.170,  11.813,  -5.064)  ( 0.03,  0.03,  0.08)
181:     bond    ( 36.898,  15.124, -16.150)  ( 36.908,  15.126, -16.149)  ( 0.03,  0.01,  0.01)
181:     angle   (  6.027,  -6.123,   8.042)  (  6.028,  -6.120,   8.044)  ( 0.02,  0.04,  0.03)
181:     torsion (  0.162,   2.832,   3.024)  (  0.162,   2.831,   3.023)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.072,  -0.024,   0.017)  (  0.072,  -0.024,   0.017)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (  0.303,  -0.949,  47.273)  (  0.306,  -0.946,  47.286)  ( 0.08,  0.24,  0.03)
181:     bond    ( -0.494,   7.245,  42.986)  ( -0.494,   7.245,  42.999)  ( 0.01,  0.00,  0.03)
181:     angle   ( -1.773,  -6.965,   1.153)  ( -1.770,  -6.962,   1.153)  ( 0.17,  0.04,  0.01)
181:     torsion ( -1.143,  -1.515,   0.242)  ( -1.143,  -1.515,   0.242)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.713,   0.287,   2.892)  (  3.714,   0.287,   2.892)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 88.097, -104.739,  97.655)  ( 88.280, -104.887,  97.246)  ( 0.21,  0.14,  0.42)
181:     bond    ( 21.237, -20.013,  15.611)  ( 21.279, -19.990,  15.619)  ( 0.20,  0.12,  0.06)
181:     angle   (101.256, -103.551,  78.175)  (101.266, -103.532,  78.178)  ( 0.01,  0.02,  0.00)
181:     torsion ( -2.958,   4.240,  10.109)  ( -2.958,   4.240,  10.110)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.747,   1.091,   2.439)  ( -0.616,   0.902,   2.017)  ( 9.75, 17.37, 17.30)
181:     vdw     (-30.691,  13.494,  -8.679)  (-30.690,  13.494,  -8.679)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 39.508,  46.688,  -7.338)  ( 39.476,  46.782,  -7.144)  ( 0.08,  0.20,  2.64)
181:     bond    (  9.695,  -4.494,   4.946)  (  9.718,  -4.489,   4.951)  ( 0.24,  0.11,  0.12)
181:     angle   ( 30.142,  50.853, -13.053)  ( 30.144,  50.859, -13.052)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.506,   0.733,   1.657)  ( -0.506,   0.733,   1.657)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.263,  -0.386,  -0.867)  (  0.206,  -0.303,  -0.679)  ( 1.49,  3.22, 16.24)
181:     vdw     ( -0.086,  -0.018,  -0.021)  ( -0.086,  -0.018,  -0.021)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-171.999,   5.773, -50.556)  (-172.031,   5.844, -50.423)  ( 0.02,  1.23,  0.26)
181:     bond    ( -1.356,  40.905, -18.794)  ( -1.356,  40.918, -18.791)  ( 0.02,  0.03,  0.01)
181:     angle   (-96.949, -13.982, -23.449)  (-96.944, -13.981, -23.448)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.647,  -0.940,  -2.094)  (  0.647,  -0.940,  -2.094)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.265,  -0.389,  -0.867)  (  0.225,  -0.331,  -0.737)  ( 1.04,  2.27, 11.28)
181:     vdw     (-74.605, -19.821,  -5.352)  (-74.603, -19.821,  -5.352)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 8 # gradients 
181: ok 9 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 79.151, -113.281, 196.799)  ( 74.305, -106.332, 184.856)  ( 6.12,  6.13,  6.07)
181:     bond    (101.517, -143.650, 249.265)  (101.546, -143.623, 249.282)  ( 0.03,  0.02,  0.01)
181:     angle   (-32.943,  45.373, -78.416)  (-32.934,  45.383, -78.405)  ( 0.03,  0.02,  0.01)
181:     torsion ( -0.022,  -0.007,  -0.017)  ( -0.021,  -0.007,  -0.016)  ( 0.00,  0.00,  0.00)
181:     oop     ( 10.599, -14.997,  25.967)  (  5.714,  -8.085,  13.995)  (46.09, 46.09, 46.10)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-197.774,  -4.633,   7.852)  (-197.736,  -7.194,  12.372)  ( 0.02, 55.28, 57.56)
181:     bond    (-220.390,  -0.005,   0.000)  (-220.363,   0.015,   0.020)  ( 0.01,  0.01,  0.00)
181:     angle   ( -0.050, -17.052,  29.460)  ( -0.039, -17.041,  29.469)  ( 0.05,  0.06,  0.03)
181:     torsion (  0.000,   0.010,  -0.003)  (  0.000,   0.009,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   5.624,  -9.738)  (  0.000,   3.032,  -5.248)  ( 0.00, 46.09, 46.11)
181:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 35.790, 182.731,   7.817)  ( 38.267, 181.903,  12.337)  ( 6.92,  0.45, 57.83)
181:     bond    ( 73.413, 207.701,  -0.104)  ( 73.434, 207.728,  -0.084)  ( 0.03,  0.01,  0.21)
181:     angle   ( 16.533,  -6.005,  29.483)  ( 16.544,  -5.994,  29.492)  ( 0.07,  0.18,  0.03)
181:     torsion (  0.009,  -0.004,   0.023)  (  0.010,  -0.003,   0.023)  ( 0.00,  0.00,  0.00)
181:     oop     ( -5.302,   1.878,  -9.738)  ( -2.858,   1.012,  -5.248)  (46.09, 46.09, 46.11)
181:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 34.911, -98.106, -154.854)  ( 37.386, -101.529, -151.827)  ( 7.09,  3.49,  1.95)
181:     bond    ( 73.430, -103.943, -180.098)  ( 73.451, -103.921, -180.073)  ( 0.03,  0.02,  0.01)
181:     angle   ( 16.165, -22.410,  19.547)  ( 16.176, -22.400,  19.557)  ( 0.07,  0.05,  0.05)
181:     torsion ( -0.002,   0.009,  -0.006)  ( -0.001,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -5.297,   7.495,  -6.490)  ( -2.855,   4.040,  -3.498)  (46.10, 46.10, 46.10)
181:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 31.635,  91.501,   0.054)  ( 31.641,  91.514,   0.056)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
181:     angle   ( -0.323,  -0.114,  -0.029)  ( -0.320,  -0.113,  -0.027)  ( 0.10,  0.00,  0.01)
181:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-28.211, -39.950,  69.376)  (-28.206, -39.946,  69.386)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.129,   0.063,   0.091)  (  0.132,   0.065,   0.091)  ( 0.04,  0.01,  0.01)
181:     torsion ( -0.000,   0.004,   0.002)  (  0.000,   0.004,   0.002)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 32.891, -45.899, -79.600)  ( 32.897, -45.895, -79.590)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.224,   0.070,  -0.135)  (  0.227,   0.072,  -0.134)  ( 0.07,  0.01,  0.01)
181:     torsion ( -0.000,  -0.006,   0.004)  (  0.000,  -0.006,   0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 81.326,  -9.585,  -5.836)  ( 81.340,  -9.581,  -5.834)  ( 0.02,  0.04,  0.04)
181:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,   0.398,  -0.043)  (  0.000,   0.401,  -0.041)  ( 0.00,  0.13,  0.01)
181:     torsion ( -0.000,  -0.000,  -0.002)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-38.408,  31.439,  64.243)  (-38.403,  31.445,  64.253)  ( 0.01,  0.02,  0.02)
181:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.071,  -0.115,   0.094)  (  0.073,  -0.112,   0.095)  ( 0.01,  0.03,  0.01)
181:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-37.054,  19.007, -66.658)  (-37.049,  19.013, -66.648)  ( 0.01,  0.03,  0.02)
181:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.061,  -0.204,  -0.143)  (  0.063,  -0.202,  -0.142)  ( 0.01,  0.05,  0.01)
181:     torsion (  0.007,  -0.002,  -0.004)  (  0.007,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 81.329,   9.798,   5.419)  ( 81.343,   9.801,   5.423)  ( 0.02,  0.03,  0.06)
181:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,  -0.204,  -0.290)  ( -0.000,  -0.202,  -0.287)  ( 0.00,  0.04,  0.09)
181:     torsion ( -0.000,   0.008,  -0.005)  ( -0.000,   0.008,  -0.005)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-37.251,  48.145, -49.889)  (-37.247,  48.151, -49.878)  ( 0.01,  0.01,  0.02)
181:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.045,   0.152,   0.069)  (  0.047,   0.154,   0.070)  ( 0.01,  0.03,  0.01)
179: 40       ( -3.312,  -3.973,  -3.279)  ( -3.286,  -3.772,  -3.483)  ( 0.77,  5.06,  6.22)
179:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
179:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
179:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
179:     electro (  1.070,   1.432,   1.274)  (  1.070,   1.432,   1.274)  ( 0.00,  0.00,  0.00)
179: 41       (  0.314,  -0.534,  -1.796)  (  0.320,  -0.537,  -1.831)  ( 0.19,  0.17,  1.93)
179:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
179:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
179:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
179:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.055,   0.069,   0.225)  ( -0.055,   0.069,   0.225)  ( 0.00,  0.00,  0.00)
179: 42       ( -0.601,  -0.039,  -0.247)  ( -0.597,  -0.038,  -0.240)  ( 0.23,  0.00,  0.18)
179:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
179:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
179:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
179:     electro (  0.193,   0.152,   0.475)  (  0.193,   0.152,   0.475)  ( 0.00,  0.00,  0.00)
179: 43       ( -0.497,   0.648,   1.335)  ( -0.493,   0.649,   1.338)  ( 0.18,  0.06,  0.24)
179:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
179:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
179:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.071,  -0.066,   0.111)  ( -0.071,  -0.066,   0.111)  ( 0.00,  0.00,  0.00)
179: 44       ( -1.262,   0.524,   0.724)  ( -1.261,   0.527,   0.732)  ( 0.12,  0.15,  0.57)
179:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
179:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
179:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
179:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
179:     electro (  0.039,  -0.152,   0.018)  (  0.039,  -0.152,   0.018)  ( 0.00,  0.00,  0.00)
179: 45       ( -1.564,  -0.339,  -0.643)  ( -1.563,  -0.337,  -0.657)  ( 0.08,  0.10,  0.90)
179:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
179:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
179:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
181:     torsion ( -0.009,  -0.006,   0.000)  ( -0.009,  -0.006,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-38.542, -71.364,   5.090)  (-38.538, -71.351,   5.094)  ( 0.01,  0.02,  0.07)
181:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
181:     angle   (  0.029,  -0.011,   0.258)  (  0.031,  -0.011,   0.261)  ( 0.01,  0.00,  0.08)
181:     torsion (  0.014,  -0.005,   0.009)  (  0.014,  -0.005,   0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 10 # gradients 
181: ok 11 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-459.477, 649.250, -1124.640)  (-425.030, 600.544, -1040.261)  ( 7.50,  7.50,  7.50)
181:     bond    (-267.083, 377.923, -654.760)  (-267.073, 377.932, -654.759)  ( 0.00,  0.00,  0.00)
181:     angle   (-117.641, 165.638, -286.837)  (-117.636, 165.643, -286.831)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.050,  -0.016,  -0.038)  ( -0.049,  -0.016,  -0.038)  ( 0.00,  0.00,  0.00)
181:     oop     (-74.704, 105.704, -183.005)  (-40.272,  56.984, -98.633)  (46.09, 46.09, 46.10)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (909.379, -95.010, 164.381)  (909.405, -76.714, 132.762)  ( 0.00, 19.26, 19.24)
181:     bond    (886.759,  -0.001,   0.004)  (886.777,   0.015,   0.020)  ( 0.00,  0.00,  0.01)
181:     angle   ( -0.046, -62.174, 107.620)  ( -0.038, -62.166, 107.627)  ( 0.04,  0.01,  0.01)
181:     torsion (  0.000,   0.022,  -0.008)  (  0.000,   0.022,  -0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000, -39.647,  68.632)  (  0.000, -21.376,  36.989)  ( 0.00, 46.09, 46.11)
181:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-248.852, -890.906, 164.380)  (-266.049, -884.780, 132.762)  ( 6.91,  0.69, 19.24)
181:     bond    (-296.159, -835.902,  -0.100)  (-296.142, -835.885,  -0.084)  ( 0.01,  0.00,  0.16)
181:     angle   ( 58.775, -20.921, 107.642)  ( 58.783, -20.913, 107.649)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.022,  -0.008,   0.053)  (  0.023,  -0.008,   0.053)  ( 0.00,  0.00,  0.00)
181:     oop     ( 37.373, -13.235,  68.633)  ( 20.150,  -7.136,  36.989)  (46.09, 46.09, 46.11)
181:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-249.014, 303.413, 853.488)  (-266.195, 327.787, 832.430)  ( 6.90,  8.03,  2.47)
181:     bond    (-295.509, 418.119, 723.951)  (-295.493, 418.136, 723.968)  ( 0.01,  0.00,  0.00)
181:     angle   ( 58.556, -82.647,  71.621)  ( 58.564, -82.640,  71.629)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.004,   0.020,  -0.014)  ( -0.003,   0.021,  -0.013)  ( 0.00,  0.00,  0.00)
181:     oop     ( 37.330, -52.822,  45.737)  ( 20.122, -28.473,  24.654)  (46.10, 46.10, 46.10)
181:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 31.733,  91.536,   0.053)  ( 31.739,  91.548,   0.054)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
181:     angle   ( -0.225,  -0.079,  -0.029)  ( -0.223,  -0.079,  -0.027)  ( 0.05,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
177:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
177:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
177:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
177:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
177:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
177:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
177:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
177:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
177:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
177:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
177:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
177:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
177:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
177:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
177:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
181:     torsion ( -0.000,  -0.000,  -0.003)  (  0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-28.241, -39.940,  69.370)  (-28.237, -39.935,  69.380)  ( 0.01,  0.01,  0.01)
181:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.099,   0.069,   0.081)  (  0.101,   0.070,   0.082)  ( 0.02,  0.01,  0.01)
181:     torsion ( -0.000,   0.009,   0.005)  (  0.000,   0.009,   0.005)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 32.824, -45.896, -79.574)  ( 32.829, -45.891, -79.564)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.157,   0.082,  -0.114)  (  0.159,   0.084,  -0.113)  ( 0.03,  0.01,  0.01)
181:     torsion ( -0.000,  -0.015,   0.009)  (  0.000,  -0.015,   0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 81.326,  -9.696,  -5.838)  ( 81.340,  -9.693,  -5.836)  ( 0.02,  0.03,  0.05)
181:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,   0.286,  -0.043)  (  0.000,   0.289,  -0.041)  ( 0.00,  0.07,  0.01)
181:     torsion ( -0.000,  -0.000,  -0.004)  (  0.000,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-38.399,  31.454,  64.238)  (-38.395,  31.459,  64.249)  ( 0.01,  0.02,  0.02)
181:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.079,  -0.100,   0.089)  (  0.081,  -0.098,   0.090)  ( 0.01,  0.02,  0.01)
181:     torsion (  0.000,  -0.000,   0.000)  (  0.001,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-37.018,  19.050, -66.648)  (-37.014,  19.056, -66.638)  ( 0.01,  0.03,  0.02)
181:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.088,  -0.157,  -0.127)  (  0.090,  -0.155,  -0.126)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.016,  -0.006,  -0.010)  (  0.016,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 81.329,   9.860,   5.501)  ( 81.343,   9.863,   5.504)  ( 0.02,  0.03,  0.05)
181:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,  -0.153,  -0.202)  ( -0.000,  -0.151,  -0.199)  ( 0.00,  0.03,  0.05)
181:     torsion ( -0.000,   0.019,  -0.011)  ( -0.000,   0.019,  -0.011)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-37.250,  48.120, -49.904)  (-37.246,  48.125, -49.894)  ( 0.01,  0.01,  0.02)
181:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.058,   0.135,   0.054)  (  0.059,   0.137,   0.055)  ( 0.01,  0.02,  0.00)
181:     torsion ( -0.020,  -0.014,   0.000)  ( -0.020,  -0.014,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-38.494, -71.381,   5.049)  (-38.490, -71.368,   5.051)  ( 0.01,  0.02,  0.05)
181:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
181:     angle   (  0.058,  -0.021,   0.205)  (  0.060,  -0.021,   0.207)  ( 0.01,  0.00,  0.05)
181:     torsion (  0.033,  -0.012,   0.020)  (  0.033,  -0.012,   0.020)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 12 # gradients 
181: ok 13 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-23.613,  -2.210,   2.937)  (-23.569,  -2.180,   2.984)  ( 0.18,  1.36,  1.58)
181:     bond    ( 37.054, -12.937,  -8.013)  ( 37.079, -12.911,  -8.009)  ( 0.07,  0.20,  0.05)
181:     angle   (  8.962,  10.378,   2.516)  (  8.976,  10.387,   2.517)  ( 0.16,  0.08,  0.05)
181:     torsion (  0.413,  -0.973,   2.161)  (  0.413,  -0.970,   2.180)  ( 0.01,  0.23,  0.87)
181:     oop     ( -0.012,   0.041,  -0.132)  ( -0.010,   0.035,  -0.109)  ( 0.00,  0.03,  0.30)
181:     vdw     (-70.030,   1.280,   6.405)  (-70.028,   1.279,   6.405)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (  5.393,  18.793,  11.158)  (  5.423,  18.875,  11.055)  ( 0.56,  0.44,  0.92)
181:     bond    ( 33.675, -25.493, -10.735)  ( 33.703, -25.470, -10.732)  ( 0.08,  0.09,  0.03)
181:     angle   (  5.674, -17.005,  -6.268)  (  5.685, -16.993,  -6.267)  ( 0.19,  0.07,  0.03)
181:     torsion ( -0.145,  -0.448,   2.063)  ( -0.145,  -0.446,   2.082)  ( 0.00,  0.09,  0.93)
181:     oop     (  0.056,  -0.262,   0.769)  (  0.047,  -0.218,   0.643)  ( 0.05,  1.13,  9.71)
181:     vdw     (-33.868,  62.001,  25.328)  (-33.867,  62.002,  25.328)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (  1.940,  56.571,  23.255)  (  1.997,  56.545,  23.470)  ( 2.94,  0.05,  0.92)
181:     bond    (-19.349, -52.993, -17.882)  (-19.321, -52.969, -17.878)  ( 0.14,  0.04,  0.02)
181:     angle   ( 19.610,  45.310,  15.043)  ( 19.622,  45.322,  15.044)  ( 0.06,  0.03,  0.01)
181:     torsion (  0.402,  -8.286,  20.372)  (  0.402,  -8.283,  20.392)  ( 0.01,  0.03,  0.10)
181:     oop     ( -0.091,   0.393,  -1.144)  ( -0.076,   0.328,  -0.954)  ( 0.14,  2.57, 16.66)
181:     vdw     (  1.369,  72.147,   6.866)  (  1.370,  72.148,   6.866)  ( 0.11,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-27.138,  -3.592, -19.127)  (-27.058,  -4.344, -18.348)  ( 0.30, 20.92,  4.08)
181:     bond    (-50.594,  14.579,   8.252)  (-50.560,  14.605,   8.256)  ( 0.07,  0.18,  0.05)
181:     angle   (-30.588, -25.587,  20.635)  (-30.571, -25.572,  20.639)  ( 0.06,  0.06,  0.02)
181:     torsion ( -1.996,  13.629, -22.256)  ( -1.996,  13.632, -22.238)  ( 0.00,  0.02,  0.08)
181:     oop     ( -0.149,   3.849,  -3.856)  ( -0.122,   3.053,  -3.103)  ( 0.41, 20.67, 19.52)
181:     vdw     ( 56.189, -10.062, -21.902)  ( 56.191, -10.062, -21.902)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fu9_675.sdf
179:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
179:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,  -0.027,   0.024)  (  0.189,  -0.027,   0.024)  ( 0.00,  0.00,  0.00)
179: 46       (  0.161,  -1.444,  -1.223)  (  0.162,  -1.442,  -1.237)  ( 0.03,  0.16,  1.12)
179:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
179:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
179:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.207,   0.336,   0.067)  ( -0.207,   0.336,   0.067)  ( 0.00,  0.00,  0.00)
179: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
179:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
179:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
179:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
179:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
179:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
179:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
179:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
179:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
179:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
179:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
179:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
179:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
177:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
177:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
177:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
177:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
177:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
177:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
177:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
177:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
177:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
177:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
177:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
177:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
177:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fub_4up.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-31.880, -44.982,  35.045)  (-31.882, -44.749,  34.526)  ( 0.01,  0.52,  1.48)
181:     bond    (-40.420,  41.995,  21.806)  (-40.392,  42.018,  21.810)  ( 0.07,  0.06,  0.02)
181:     angle   (-15.456,  -7.499,  -1.323)  (-15.444,  -7.487,  -1.321)  ( 0.08,  0.16,  0.14)
181:     torsion (  4.465, -13.505,  34.153)  (  4.466, -13.502,  34.172)  ( 0.00,  0.02,  0.06)
181:     oop     (  0.262,  -1.152,   3.243)  (  0.219,  -0.958,   2.700)  ( 1.13, 16.82, 16.74)
181:     vdw     ( 19.269, -64.822, -22.834)  ( 19.270, -64.821, -22.833)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-12.291, -27.965, -12.989)  (-12.245, -27.951, -12.903)  ( 0.37,  0.05,  0.66)
181:     bond    ( 44.261,  36.517,   8.020)  ( 44.289,  36.540,   8.023)  ( 0.06,  0.06,  0.04)
181:     angle   (-13.442,  -1.258,   0.913)  (-13.431,  -1.246,   0.915)  ( 0.08,  0.94,  0.13)
181:     torsion ( -0.065,   2.436,  -2.077)  ( -0.065,   2.438,  -2.058)  ( 0.00,  0.09,  0.91)
181:     oop     ( -0.038,   0.156,  -0.397)  ( -0.032,   0.132,  -0.334)  ( 0.02,  0.39,  2.46)
181:     vdw     (-43.007, -65.816, -19.449)  (-43.007, -65.815, -19.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-25.860,  -1.136, 338.779)  (-25.614,   0.247, 337.431)  ( 0.95, 121.78,  0.40)
181:     bond    ( 65.767, 140.323, 186.598)  ( 65.806, 140.339, 186.620)  ( 0.06,  0.01,  0.01)
181:     angle   (-41.279,  19.132,  42.502)  (-41.263,  19.142,  42.512)  ( 0.04,  0.05,  0.02)
181:     torsion (-46.293, -174.861, 111.475)  (-46.292, -174.854, 111.480)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.261,  -6.768,   7.409)  ( -1.070,  -5.418,   6.024)  (15.15, 19.95, 18.69)
181:     vdw     ( -2.796,  21.037,  -9.205)  ( -2.795,  21.038,  -9.205)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (  2.007, -141.218, -337.027)  (  1.906, -139.418, -337.650)  ( 5.02,  1.27,  0.18)
181:     bond    (-148.647, -41.584, -55.210)  (-148.617, -41.572, -55.173)  ( 0.02,  0.03,  0.07)
181:     angle   (150.718, -65.909, -63.785)  (150.744, -65.902, -63.775)  ( 0.02,  0.01,  0.02)
181:     torsion (-23.473,  13.213, -231.721)  (-23.472,  13.218, -231.720)  ( 0.00,  0.04,  0.00)
181:     oop     (  1.005, -10.683,   4.518)  (  0.847,  -8.909,   3.846)  (15.73, 16.60, 14.87)
181:     vdw     ( 22.404, -36.254,   9.172)  ( 22.405, -36.253,   9.172)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-40.105,  25.157, -120.469)  (-40.036,  24.105, -119.861)  ( 0.17,  4.18,  0.50)
181:     bond    ( 30.421, -42.975, -81.162)  ( 30.425, -42.968, -81.138)  ( 0.01,  0.02,  0.03)
181:     angle   (-97.973, -21.203, -25.506)  (-97.964, -21.203, -25.506)  ( 0.01,  0.00,  0.00)
181:     torsion ( -6.259, 116.531, -64.058)  ( -6.259, 116.532, -64.058)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.265,   5.425,  -2.973)  ( -0.209,   4.364,  -2.389)  ( 1.47, 19.56, 19.62)
181:     vdw     ( 33.971, -32.620,  53.230)  ( 33.972, -32.619,  53.231)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 91.167,   5.416,  71.329)  ( 91.166,   4.769,  71.373)  ( 0.00, 11.95,  0.06)
181:     bond    (226.913, -56.230, -30.230)  (226.943, -56.204, -30.227)  ( 0.01,  0.05,  0.01)
181:     angle   (-194.316,  65.945, -70.440)  (-194.300,  65.958, -70.436)  ( 0.01,  0.02,  0.01)
181:     torsion ( 32.606, -18.848, 156.550)  ( 32.607, -18.846, 156.563)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.229,   4.708,  -0.230)  (  0.181,   4.020,  -0.205)  ( 1.09, 14.62,  0.56)
181:     vdw     ( 25.735,   9.840,  15.679)  ( 25.736,   9.841,  15.679)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (225.628, -206.652,  69.044)  (225.683, -206.423,  69.714)  ( 0.02,  0.11,  0.97)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fuc_239.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fud_6up.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fue_7up.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fuf_8up.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fug_9up.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fuh_1u2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fuj_1u9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ful_0vu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fux_e75.sdf
181:     bond    ( 93.426, -53.532,   4.505)  ( 93.459, -53.503,   4.510)  ( 0.04,  0.05,  0.10)
181:     angle   (119.389, -90.859, 170.310)  (119.405, -90.843, 170.313)  ( 0.01,  0.02,  0.00)
181:     torsion ( 13.029, -48.793, -96.910)  ( 13.029, -48.791, -96.893)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.069,  -0.913,  -3.501)  ( -0.065,  -0.731,  -2.856)  ( 0.03, 16.60, 18.45)
181:     vdw     ( -0.146, -12.555,  -5.360)  ( -0.146, -12.555,  -5.360)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-93.468, -119.866,  38.940)  (-93.411, -119.855,  38.827)  ( 0.06,  0.01,  0.29)
181:     bond    (-186.226, -17.199,  -4.867)  (-186.184, -17.162,  -4.865)  ( 0.02,  0.21,  0.05)
181:     angle   (100.853, -104.886,  -7.299)  (100.869, -104.868,  -7.296)  ( 0.02,  0.02,  0.04)
181:     torsion ( -3.809,   9.448,  48.069)  ( -3.809,   9.448,  48.091)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.012,   0.289,   1.060)  ( -0.013,   0.245,   0.920)  ( 0.00,  1.28, 13.28)
181:     vdw     ( -4.274,  -7.518,   1.976)  ( -4.274,  -7.518,   1.977)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (  3.335, 288.444, -76.170)  (  3.362, 288.525, -75.893)  ( 0.82,  0.03,  0.36)
181:     bond    (  4.828, 149.615, -23.114)  (  4.856, 149.648, -23.113)  ( 0.59,  0.02,  0.01)
181:     angle   ( 58.584,  79.414, -45.322)  ( 58.600,  79.429, -45.321)  ( 0.03,  0.02,  0.00)
181:     torsion ( -0.800,  11.926, -13.399)  ( -0.800,  11.927, -13.378)  ( 0.02,  0.01,  0.16)
181:     oop     (  0.110,  -0.159,  -1.678)  (  0.091,  -0.129,  -1.424)  ( 0.21,  0.48, 15.12)
181:     vdw     (-59.388,  47.647,   7.343)  (-59.386,  47.650,   7.343)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 97.961, 147.551, 113.911)  ( 98.001, 147.592, 113.202)  ( 0.04,  0.03,  0.62)
181:     bond    (-154.829, 111.469,  -0.872)  (-154.804, 111.501,  -0.871)  ( 0.02,  0.03,  0.09)
181:     angle   (248.150,  36.634,  82.756)  (248.166,  36.648,  82.756)  ( 0.01,  0.04,  0.00)
181:     torsion ( -1.838,  -9.032,  27.518)  ( -1.838,  -9.032,  27.541)  ( 0.02,  0.00,  0.08)
181:     oop     ( -0.039,   0.000,   3.201)  ( -0.040,  -0.006,   2.469)  ( 0.00,  0.00, 22.88)
181:     vdw     (  6.518,   8.480,   1.307)  (  6.518,   8.480,   1.307)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (-105.638, -92.389,  26.667)  (-105.524, -92.343,  27.540)  ( 0.11,  0.05,  3.28)
181:     bond    ( 53.724, -43.269, -13.811)  ( 53.752, -43.241, -13.809)  ( 0.05,  0.06,  0.01)
181:     angle   (-150.033, -101.179,  -4.308)  (-150.019, -101.165,  -4.309)  ( 0.01,  0.01,  0.01)
181:     torsion (-12.547,  -1.115,  45.037)  (-12.546,  -1.115,  45.061)  ( 0.00,  0.01,  0.05)
181:     oop     ( -0.413,   0.024,  -4.236)  ( -0.342,   0.027,  -3.386)  ( 2.93,  0.01, 20.05)
181:     vdw     (  3.631,  53.150,   3.984)  (  3.631,  53.151,   3.984)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-73.437,   0.837,  32.603)  (-73.425,   0.887,  32.365)  ( 0.02,  4.21,  0.73)
181:     bond    ( 50.547, -70.937, -15.049)  ( 50.574, -70.910, -15.048)  ( 0.05,  0.04,  0.01)
181:     angle   (-70.177,  42.637,   8.768)  (-70.165,  42.649,   8.768)  ( 0.02,  0.03,  0.00)
181:     torsion (  3.371,  -2.144,  22.650)  (  3.371,  -2.143,  22.671)  ( 0.02,  0.02,  0.09)
181:     oop     (  0.179,  -0.069,   1.564)  (  0.150,  -0.060,   1.303)  ( 0.52,  0.07, 16.70)
181:     vdw     (-57.357,  31.349,  14.670)  (-57.356,  31.350,  14.670)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-38.012,   1.098,  26.556)  (-37.969,   1.136,  26.591)  ( 0.11,  3.43,  0.13)
181:     bond    ( 38.128,  64.277,   2.987)  ( 38.153,  64.305,   2.988)  ( 0.07,  0.04,  0.04)
181:     angle   (  4.265, -26.112,  -4.627)  (  4.279, -26.101,  -4.627)  ( 0.32,  0.04,  0.00)
181:     torsion (  3.666,  -2.511,  22.904)  (  3.666,  -2.510,  22.925)  ( 0.01,  0.01,  0.09)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
177:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
177:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
177:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
177:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
177:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
177:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
177:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
177:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
177:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
177:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
177:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
177:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
177:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
177:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fuy_ek2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv0_ek3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv1_ek4.sdf
179:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
179:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
179:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
179:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
179:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
179:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
179:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
179:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
179:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
179:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
179:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
179:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv2_ek5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv3_ek6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv4_ek7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv5_ek9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv6_e57.sdf
181:     oop     ( -0.014,   0.010,  -0.082)  ( -0.012,   0.008,  -0.069)  ( 0.00,  0.00,  0.11)
181:     vdw     (-84.058, -34.566,   5.374)  (-84.056, -34.565,   5.374)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( -6.612, -14.388,   4.623)  ( -6.583, -14.337,   4.539)  ( 0.44,  0.35,  1.82)
181:     bond    (-23.301,  24.678,   5.043)  (-23.273,  24.703,   5.044)  ( 0.12,  0.10,  0.02)
181:     angle   ( 23.724,  18.525,  -0.135)  ( 23.734,  18.539,  -0.135)  ( 0.04,  0.08,  0.00)
181:     torsion (  0.087,  -0.016,   3.427)  (  0.087,  -0.016,   3.448)  ( 0.00,  0.00,  0.62)
181:     oop     (  0.058,  -0.061,   0.636)  (  0.049,  -0.051,   0.530)  ( 0.06,  0.06,  6.75)
181:     vdw     ( -7.180, -57.513,  -4.349)  ( -7.180, -57.512,  -4.349)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 11.714,  20.273,   5.442)  ( 11.764,  20.303,   5.582)  ( 0.43,  0.14,  2.59)
181:     bond    (  3.716,  51.056,   3.270)  (  3.743,  51.083,   3.271)  ( 0.71,  0.05,  0.02)
181:     angle   (-53.611,  15.132,   7.002)  (-53.599,  15.144,   7.002)  ( 0.02,  0.08,  0.00)
181:     torsion (  1.337,  -0.581,   6.526)  (  1.337,  -0.581,   6.547)  ( 0.01,  0.01,  0.32)
181:     oop     ( -0.057,   0.060,  -0.698)  ( -0.047,   0.050,  -0.579)  ( 0.06,  0.06,  8.29)
181:     vdw     ( 60.329, -45.394, -10.659)  ( 60.330, -45.393, -10.659)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 85.817,   0.348,   2.069)  ( 85.847,   0.385,   2.035)  ( 0.04,  1.29,  1.64)
181:     bond    (-102.276,  22.499,  12.095)  (-102.251,  22.527,  12.096)  ( 0.02,  0.13,  0.01)
181:     angle   (114.983,   0.338, -13.795)  (114.997,   0.349, -13.795)  ( 0.01,  0.36,  0.00)
181:     torsion (  3.315,   2.200,  13.926)  (  3.315,   2.200,  13.947)  ( 0.01,  0.01,  0.15)
181:     oop     (  0.081,   0.015,   0.475)  (  0.070,   0.011,   0.419)  ( 0.09,  0.01,  2.68)
181:     vdw     ( 69.714, -24.704, -10.632)  ( 69.716, -24.702, -10.632)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-66.238,  22.367,  95.317)  (-66.197,  22.317,  95.067)  ( 0.06,  0.22,  0.26)
181:     bond    ( 55.099, -110.431, 101.265)  ( 55.118, -110.408, 101.284)  ( 0.03,  0.02,  0.02)
181:     angle   (-100.710,  88.879, -129.473)  (-100.696,  88.891, -129.464)  ( 0.01,  0.01,  0.01)
181:     torsion (-18.856,  33.146, 127.144)  (-18.854,  33.148, 127.149)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.022,   0.319,   1.038)  ( -0.016,   0.233,   0.756)  ( 0.01,  2.77, 27.17)
181:     vdw     ( -1.750,  10.454,  -4.658)  ( -1.749,  10.454,  -4.658)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( 10.945, -26.557,  21.043)  ( 10.974, -26.528,  21.072)  ( 0.26,  0.11,  0.14)
181:     bond    ( 78.061, -32.255, -59.087)  ( 78.080, -32.237, -59.068)  ( 0.02,  0.05,  0.03)
181:     angle   (-71.166, -17.158,  58.672)  (-71.158, -17.148,  58.681)  ( 0.01,  0.05,  0.02)
181:     torsion ( 16.636,   5.460,  15.588)  ( 16.636,   5.461,  15.588)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-12.585,  17.395,   5.870)  (-12.584,  17.396,   5.870)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 33.427, -21.864,   6.423)  ( 33.457, -21.835,   6.452)  ( 0.09,  0.13,  0.45)
181:     bond    (-69.515, -53.766,  16.940)  (-69.496, -53.748,  16.959)  ( 0.03,  0.03,  0.11)
181:     angle   (104.511,   2.138,  -2.504)  (104.521,   2.147,  -2.495)  ( 0.01,  0.41,  0.34)
181:     torsion (  7.290,  -4.506,  14.180)  (  7.291,  -4.505,  14.182)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.860,  34.269, -22.193)  ( -8.858,  34.270, -22.193)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv7_e94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv8_e63.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fv9_e71.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fw3_l52.sdf
177:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
177:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
177:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
177:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
177:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
177:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
177:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
177:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
177:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
177:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
177:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
177:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
177:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
177:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
177:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fw5_l58.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fw6_l59.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fw7_l63.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fwb_3kp.sdf
181: 24       (-59.522,  73.111, -61.491)  (-59.480,  73.147, -61.474)  ( 0.07,  0.05,  0.03)
181:     bond    ( -1.423, -127.289,  25.653)  ( -1.396, -127.270,  25.672)  ( 1.85,  0.02,  0.07)
181:     angle   (-73.912, 231.350, -63.017)  (-73.899, 231.367, -63.008)  ( 0.02,  0.01,  0.01)
181:     torsion ( -1.153,  -2.884, -31.550)  ( -1.153,  -2.883, -31.544)  ( 0.07,  0.07,  0.02)
181:     oop     ( -0.002,   0.011,   0.067)  ( -0.002,   0.008,   0.050)  ( 0.00,  0.00,  0.11)
181:     vdw     ( 16.968, -28.077,   7.357)  ( 16.969, -28.076,   7.357)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( -9.675,   6.016, -13.876)  ( -9.641,   6.050, -13.844)  ( 0.35,  0.57,  0.23)
181:     bond    (-21.693, 101.511, -10.537)  (-21.673, 101.529, -10.518)  ( 0.09,  0.02,  0.17)
181:     angle   (-41.649, -155.895,   4.820)  (-41.638, -155.882,   4.830)  ( 0.03,  0.01,  0.22)
181:     torsion ( -2.346,  -4.745,  -0.756)  ( -2.345,  -4.743,  -0.754)  ( 0.03,  0.03,  0.21)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 56.013,  65.145,  -7.403)  ( 56.015,  65.146,  -7.403)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-66.360,  63.008, 151.800)  (-66.326,  63.047, 151.841)  ( 0.05,  0.06,  0.03)
181:     bond    ( 23.914, -31.082, 126.884)  ( 23.934, -31.059, 126.909)  ( 0.08,  0.07,  0.02)
181:     angle   (-80.332, 108.889,  -9.633)  (-80.318, 108.904,  -9.619)  ( 0.02,  0.01,  0.15)
181:     torsion ( -4.548,  -7.157,  32.760)  ( -4.547,  -7.156,  32.761)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.395,  -7.642,   1.790)  ( -5.394,  -7.642,   1.790)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -3.335,  28.070,  31.883)  ( -3.302,  28.101,  31.915)  ( 1.00,  0.11,  0.10)
181:     bond    ( -2.543, 116.577,  10.472)  ( -2.523, 116.596,  10.490)  ( 0.81,  0.02,  0.17)
181:     angle   (-14.795, -77.489, -16.820)  (-14.784, -77.477, -16.808)  ( 0.08,  0.02,  0.07)
181:     torsion (  3.122, -17.800,  28.898)  (  3.123, -17.799,  28.899)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.881,   6.781,   9.333)  ( 10.882,   6.781,   9.333)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-24.969, -88.911, 251.020)  (-24.932, -88.876, 251.061)  ( 0.15,  0.04,  0.02)
181:     bond    ( 27.243, -89.704, 157.951)  ( 27.263, -89.683, 157.978)  ( 0.08,  0.02,  0.02)
181:     angle   (-61.752,   2.506,  67.387)  (-61.736,   2.520,  67.401)  ( 0.03,  0.56,  0.02)
181:     torsion ( 16.304,   4.570,  25.812)  ( 16.305,   4.570,  25.813)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.765,  -6.283,  -0.131)  ( -6.764,  -6.283,  -0.131)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       (121.830, 139.624,   6.344)  (121.601, 140.012,   6.557)  ( 0.19,  0.28,  3.36)
181:     bond    ( 53.237, 119.656,  38.714)  ( 53.256, 119.676,  38.733)  ( 0.04,  0.02,  0.05)
181:     angle   ( 33.866,  64.258, -10.453)  ( 33.877,  64.269, -10.439)  ( 0.03,  0.02,  0.14)
181:     torsion ( 11.309, -24.297,  36.020)  ( 11.309, -24.296,  36.020)  ( 0.00,  0.00,  0.00)
181:     oop     (  2.504,  -3.437,  -1.712)  (  2.244,  -3.079,  -1.533)  (10.38, 10.39, 10.43)
181:     vdw     ( 20.914, -16.557, -56.225)  ( 20.915, -16.557, -56.224)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-634.732, -306.472, -606.488)  (-632.744, -308.968, -607.724)  ( 0.31,  0.81,  0.20)
181:     bond    (-277.869,  75.610, -564.058)  (-277.851,  75.624, -564.017)  ( 0.01,  0.02,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fxa_aag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fxy_0w2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fyh_tr5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fyn_0ve.sdf
181:     angle   (-406.214, -378.621,   3.969)  (-406.199, -378.612,   3.979)  ( 0.00,  0.00,  0.23)
181:     torsion (  7.598,  -8.679,  14.394)  (  7.598,  -8.679,  14.394)  ( 0.00,  0.01,  0.00)
181:     oop     ( -9.905,  13.111,   6.630)  ( -7.950,  10.593,   5.341)  (19.74, 19.21, 19.44)
181:     vdw     ( 51.658,  -7.894, -67.422)  ( 51.659,  -7.894, -67.421)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (255.888, -20.863, 326.222)  (255.033, -19.748, 326.821)  ( 0.33,  5.34,  0.18)
181:     bond    (-25.278, -142.548, 236.213)  (-25.277, -142.539, 236.238)  ( 0.01,  0.01,  0.01)
181:     angle   (245.224, 135.470, 107.978)  (245.229, 135.472, 107.978)  ( 0.00,  0.00,  0.00)
181:     torsion ( 16.660, -22.922, -12.048)  ( 16.659, -22.923, -12.048)  ( 0.00,  0.00,  0.00)
181:     oop     (  3.710,  -4.857,  -2.534)  (  2.848,  -3.754,  -1.960)  (23.23, 22.71, 22.63)
181:     vdw     ( 15.572,  13.995,  -3.387)  ( 15.573,  13.995,  -3.387)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (714.427, 258.670, -21.571)  (713.613, 259.733, -21.011)  ( 0.11,  0.41,  2.60)
181:     bond    (224.614,   7.051, 333.105)  (224.621,   7.049, 333.121)  ( 0.00,  0.02,  0.01)
181:     angle   (185.180, 209.834, -129.309)  (185.184, 209.837, -129.308)  ( 0.00,  0.00,  0.00)
181:     torsion (-17.793,  24.359,  11.482)  (-17.793,  24.359,  11.482)  ( 0.00,  0.00,  0.00)
181:     oop     (  3.689,  -4.821,  -2.386)  (  2.858,  -3.759,  -1.847)  (22.53, 22.02, 22.57)
181:     vdw     (318.736,  22.247, -234.463)  (318.744,  22.246, -234.459)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( 71.242, -142.602,  -9.270)  ( 71.247, -142.570,  -9.245)  ( 0.01,  0.02,  0.27)
181:     bond    ( -6.359, -151.413, -79.773)  ( -6.359, -151.384, -79.756)  ( 0.00,  0.02,  0.02)
181:     angle   ( 74.980, -19.554,  66.012)  ( 74.984, -19.551,  66.020)  ( 0.01,  0.01,  0.01)
181:     torsion ( -8.427,   9.675,  -6.479)  ( -8.427,   9.676,  -6.479)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.049,  18.689,  10.970)  ( 11.050,  18.690,  10.970)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (-57.580,  58.619, -138.104)  (-57.548,  58.623, -138.077)  ( 0.06,  0.01,  0.02)
181:     bond    (-63.307,   3.061, -175.086)  (-63.282,   3.062, -175.065)  ( 0.04,  0.04,  0.01)
181:     angle   ( 11.175,   1.052,   6.951)  ( 11.181,   1.055,   6.956)  ( 0.05,  0.32,  0.08)
181:     torsion ( -3.889,  38.685,   2.208)  ( -3.889,  38.685,   2.208)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.559,  15.821,  27.823)  ( -1.558,  15.821,  27.823)  ( 0.05,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( 12.880,  -1.499,  -9.262)  ( 12.896,  -1.500,  -9.241)  ( 0.13,  0.08,  0.23)
181:     bond    ( 16.396,  -0.223,  -1.751)  ( 16.411,  -0.223,  -1.751)  ( 0.09,  0.00,  0.01)
181:     angle   ( -0.183,  -3.658,  -1.246)  ( -0.183,  -3.654,  -1.246)  ( 0.00,  0.10,  0.03)
181:     torsion ( -0.658,   2.290,  -6.462)  ( -0.658,   2.290,  -6.457)  ( 0.00,  0.03,  0.07)
181:     oop     ( -0.010,   0.033,  -0.096)  ( -0.008,   0.028,  -0.080)  ( 0.00,  0.02,  0.16)
181:     vdw     ( -2.666,   0.060,   0.293)  ( -2.666,   0.060,   0.293)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (  1.682, -17.045,   4.237)  (  1.691, -17.045,   4.278)  ( 0.55,  0.00,  0.97)
181:     bond    (  7.488, -13.781,  -5.274)  (  7.491, -13.770,  -5.272)  ( 0.04,  0.08,  0.03)
181:     angle   ( -4.769,  -2.422,  -0.447)  ( -4.766,  -2.421,  -0.447)  ( 0.07,  0.03,  0.00)
181:     torsion (  0.762,  -3.146,   9.292)  (  0.762,  -3.145,   9.297)  ( 0.00,  0.02,  0.05)
181:     oop     ( -0.016,   0.071,  -0.208)  ( -0.013,   0.059,  -0.173)  ( 0.00,  0.08,  0.73)
177: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
177:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
177:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
177:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
177:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
177:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
177:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
177:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
177:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
177:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
177:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
177:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
177:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
177:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fyo_0vf.sdf
181:     vdw     ( -1.782,   2.233,   0.873)  ( -1.782,   2.233,   0.873)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-13.474, -16.279,   2.644)  (-13.472, -16.245,   2.585)  ( 0.02,  0.21,  2.24)
181:     bond    ( -8.186, -13.103,  -3.777)  ( -8.182, -13.093,  -3.776)  ( 0.05,  0.08,  0.02)
181:     angle   ( 16.163,  -8.868,  -4.283)  ( 16.166,  -8.867,  -4.283)  ( 0.02,  0.01,  0.01)
181:     torsion (  1.541,  -5.826,  16.856)  (  1.541,  -5.826,  16.860)  ( 0.00,  0.01,  0.03)
181:     oop     (  0.033,  -0.137,   0.403)  (  0.028,  -0.115,   0.337)  ( 0.02,  0.30,  2.62)
181:     vdw     (-23.026,  11.655,  -6.553)  (-23.025,  11.655,  -6.553)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  1.702,  16.175, -14.981)  (  1.724,  16.112, -14.751)  ( 1.32,  0.39,  1.54)
181:     bond    ( -5.820,  11.039,   4.124)  ( -5.817,  11.050,   4.125)  ( 0.05,  0.10,  0.04)
181:     angle   ( 12.767,   6.308,   1.110)  ( 12.770,   6.308,   1.110)  ( 0.03,  0.01,  0.00)
181:     torsion ( -1.134,   5.864, -17.312)  ( -1.134,   5.864, -17.307)  ( 0.00,  0.01,  0.03)
181:     oop     ( -0.098,   0.449,  -1.342)  ( -0.082,   0.374,  -1.117)  ( 0.16,  3.39, 16.73)
181:     vdw     ( -4.012,  -7.485,  -1.562)  ( -4.012,  -7.485,  -1.562)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (  7.581,  16.776, -20.433)  (  7.594,  16.772, -20.382)  ( 0.16,  0.02,  0.25)
181:     bond    (  8.737,  13.297,   3.406)  (  8.741,  13.307,   3.407)  ( 0.05,  0.08,  0.02)
181:     angle   (  2.916,  -1.685,  -0.910)  (  2.919,  -1.685,  -0.910)  ( 0.10,  0.06,  0.02)
181:     torsion ( -2.476,   7.286, -22.114)  ( -2.476,   7.286, -22.110)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.031,   0.090,  -0.274)  ( -0.026,   0.076,  -0.229)  ( 0.02,  0.13,  1.23)
181:     vdw     ( -1.565,  -2.212,  -0.540)  ( -1.565,  -2.212,  -0.540)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( 32.749,  16.958, -149.806)  ( 32.672,  16.278, -149.079)  ( 0.23,  4.01,  0.49)
181:     bond    ( 33.459, -55.246, -49.387)  ( 33.463, -55.235, -49.378)  ( 0.01,  0.02,  0.02)
181:     angle   (-26.229,  -1.697, -15.875)  (-26.224,  -1.697, -15.874)  ( 0.02,  0.03,  0.01)
181:     torsion ( 34.711,  62.839, -46.773)  ( 34.711,  62.841, -46.772)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.596,   4.195,  -4.289)  (  0.509,   3.503,  -3.573)  ( 5.14, 16.51, 16.70)
181:     vdw     ( -9.787,   6.866, -33.483)  ( -9.786,   6.867, -33.482)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (-65.197, -69.425, -57.284)  (-65.175, -69.429, -57.385)  ( 0.03,  0.01,  0.18)
181:     bond    ( 10.154,  -5.855,   1.667)  ( 10.165,  -5.852,   1.667)  ( 0.11,  0.06,  0.01)
181:     angle   (-38.237, -64.749,   5.881)  (-38.236, -64.745,   5.881)  ( 0.00,  0.01,  0.00)
181:     torsion (  7.173, -12.413, -87.325)  (  7.173, -12.413, -87.319)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.035,   0.067,   0.450)  ( -0.027,   0.051,   0.343)  ( 0.03,  0.10,  4.83)
181:     vdw     (-44.252,  13.526,  22.043)  (-44.251,  13.530,  22.043)  ( 0.00,  0.03,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       ( 12.007,   0.809, -50.538)  ( 12.023,   0.815, -50.506)  ( 0.13,  0.46,  0.06)
181:     bond    (  0.960,  -0.653,  -0.220)  (  0.970,  -0.649,  -0.219)  ( 0.96,  0.29,  0.01)
181:     angle   ( 19.290,  28.705,   0.377)  ( 19.291,  28.708,   0.377)  ( 0.01,  0.01,  0.00)
181:     torsion (-10.675,   8.352, -71.968)  (-10.675,   8.352, -71.964)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.024,   0.019,  -0.163)  ( -0.020,   0.016,  -0.137)  ( 0.01,  0.01,  0.43)
181:     vdw     (  2.457, -35.613,  21.436)  (  2.457, -35.612,  21.436)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       ( 12.317,   5.787,  17.733)  ( 12.331,   5.792,  17.749)  ( 0.12,  0.08,  0.09)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
177:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
177:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
177:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
177: ok 22 # gradients 
177: ok 23 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fz6_0vg.sdf
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
179:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
179:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
179:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
179:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
179:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
179:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
179:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
179:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
179:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
179:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
179:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
179:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
179:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
179:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fz7_0vh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fzb_0vj.sdf
181:     bond    ( 14.478,   6.220,  -0.840)  ( 14.490,   6.223,  -0.840)  ( 0.09,  0.04,  0.01)
181:     angle   ( -1.288,   3.054,   0.437)  ( -1.288,   3.058,   0.437)  ( 0.05,  0.11,  0.00)
181:     torsion (  1.897,  -1.940,  18.353)  (  1.897,  -1.940,  18.358)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.007,   0.007,  -0.068)  ( -0.006,   0.006,  -0.057)  ( 0.00,  0.00,  0.08)
181:     vdw     ( -2.763,  -1.555,  -0.150)  ( -2.763,  -1.555,  -0.150)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       ( -4.598,  11.285,  10.406)  ( -4.591,  11.297,  10.440)  ( 0.16,  0.10,  0.33)
181:     bond    (  1.748,  14.035,   1.261)  (  1.748,  14.050,   1.262)  ( 0.02,  0.10,  0.01)
181:     angle   ( -6.788,   0.776,   0.761)  ( -6.784,   0.776,   0.761)  ( 0.06,  0.00,  0.00)
181:     torsion (  0.817,  -0.896,   8.840)  (  0.817,  -0.896,   8.845)  ( 0.00,  0.01,  0.06)
181:     oop     ( -0.016,   0.017,  -0.169)  ( -0.014,   0.014,  -0.140)  ( 0.00,  0.01,  0.49)
181:     vdw     ( -0.359,  -2.647,  -0.287)  ( -0.358,  -2.647,  -0.287)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       (-18.905,   0.809, -12.324)  (-18.899,   0.821, -12.374)  ( 0.03,  1.03,  0.41)
181:     bond    (-14.221,  10.344,   2.191)  (-14.211,  10.350,   2.191)  ( 0.07,  0.05,  0.01)
181:     angle   ( -5.224,  -7.145,  -0.135)  ( -5.222,  -7.142,  -0.135)  ( 0.03,  0.04,  0.00)
181:     torsion ( -1.335,   1.208, -14.366)  ( -1.335,   1.208, -14.361)  ( 0.00,  0.00,  0.04)
181:     oop     (  0.031,  -0.028,   0.331)  (  0.026,  -0.023,   0.275)  ( 0.02,  0.01,  1.85)
181:     vdw     (  1.844,  -3.571,  -0.344)  (  1.844,  -3.571,  -0.344)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       (-28.919, -53.589, -18.437)  (-28.911, -53.576, -18.487)  ( 0.02,  0.02,  0.27)
181:     bond    (-13.365,  -4.730,   1.249)  (-13.352,  -4.729,   1.249)  ( 0.10,  0.04,  0.01)
181:     angle   (-15.396,  44.841,   5.200)  (-15.395,  44.844,   5.200)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.655,   0.154,  -6.424)  ( -0.655,   0.154,  -6.419)  ( 0.00,  0.00,  0.08)
181:     oop     (  0.042,  -0.025,   0.355)  (  0.036,  -0.022,   0.301)  ( 0.03,  0.01,  1.93)
181:     vdw     (  0.455, -93.828, -18.818)  (  0.455, -93.825, -18.818)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       (-26.566,  25.212, -28.839)  (-26.560,  25.217, -28.827)  ( 0.02,  0.02,  0.04)
181:     bond    (-11.055,  -3.483, -22.909)  (-11.053,  -3.483, -22.898)  ( 0.02,  0.00,  0.05)
181:     angle   ( -7.141,   8.375,   2.171)  ( -7.139,   8.379,   2.171)  ( 0.04,  0.04,  0.03)
181:     torsion ( -7.520,  25.795,  -0.294)  ( -7.519,  25.796,  -0.294)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.850,  -5.475,  -7.806)  ( -0.850,  -5.475,  -7.806)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (-24.351, -25.990,   1.795)  (-24.340, -25.984,   1.798)  ( 0.05,  0.02,  0.15)
181:     bond    (-45.915, -22.615,  -5.946)  (-45.904, -22.612,  -5.946)  ( 0.02,  0.01,  0.00)
181:     angle   ( 15.706, -30.909,  -3.723)  ( 15.707, -30.907,  -3.721)  ( 0.00,  0.01,  0.06)
181:     torsion (  6.875, -19.736,  21.983)  (  6.875, -19.736,  21.983)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.017,  47.271, -10.519)  ( -1.016,  47.272, -10.519)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       ( 36.796,  11.520,  38.836)  ( 36.800,  11.522,  38.849)  ( 0.01,  0.02,  0.03)
181:     bond    ( 11.190,  -1.507,  41.064)  ( 11.191,  -1.507,  41.077)  ( 0.01,  0.01,  0.03)
181:     angle   ( 17.459, -15.585,  -5.329)  ( 17.462, -15.583,  -5.329)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4fzj_0w1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g09_0vd.sdf
177:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
177:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
177:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
177:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
177:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
177:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
177:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.463,   0.409,   1.503)  ( -0.406,   0.355,   1.294)  ( 2.62,  2.22, 13.86)
177:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
177:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
177:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
177:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.337,   0.427,   1.409)  ( -0.287,   0.364,   1.198)  ( 1.69,  2.70, 14.97)
177:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
177:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
177:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
177:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
177:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
177:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
177:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
177:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
177:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
177:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
177:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
177:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
177:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
177:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
177:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
177:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
177:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
177:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
177:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
177:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
177:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
177:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
177:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g0k_0vs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g0u_asw.sdf
181:     torsion ( 12.306,  23.863,  -2.477)  ( 12.306,  23.864,  -2.477)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.159,   4.748,   5.578)  ( -4.159,   4.748,   5.579)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (-29.076,  33.154, -18.847)  (-29.072,  33.167, -18.843)  ( 0.01,  0.04,  0.02)
181:     bond    ( -5.456,  33.426,  -8.494)  ( -5.455,  33.439,  -8.494)  ( 0.00,  0.04,  0.01)
181:     angle   ( 32.312,   2.037, -12.737)  ( 32.315,   2.037, -12.735)  ( 0.01,  0.01,  0.02)
181:     torsion (-18.145,  -7.077, -16.210)  (-18.144,  -7.077, -16.209)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-37.788,   4.768,  18.595)  (-37.787,   4.768,  18.595)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       (-10.073,  11.672, -43.302)  (-10.064,  11.676, -43.294)  ( 0.08,  0.04,  0.02)
181:     bond    ( 31.678, -13.145, -36.411)  ( 31.683, -13.145, -36.404)  ( 0.02,  0.01,  0.02)
181:     angle   ( -1.895, -34.657,  10.864)  ( -1.893, -34.655,  10.865)  ( 0.07,  0.01,  0.01)
181:     torsion (  7.134,  -5.604,   8.233)  (  7.135,  -5.604,   8.233)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-46.990,  65.079, -25.988)  (-46.989,  65.080, -25.988)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (-13.218,  31.397, -25.916)  (-13.213,  31.408, -25.912)  ( 0.04,  0.04,  0.01)
181:     bond    (-13.699,  29.311, -10.293)  (-13.697,  29.322, -10.292)  ( 0.02,  0.04,  0.01)
181:     angle   (-26.614,  -9.753,   7.628)  (-26.611,  -9.752,   7.630)  ( 0.01,  0.01,  0.02)
181:     torsion (  0.561,  -1.856,  -6.034)  (  0.561,  -1.856,  -6.034)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 26.533,  13.695, -17.217)  ( 26.534,  13.695, -17.217)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (  4.736,  13.131,  39.313)  (  4.742,  13.134,  39.324)  ( 0.12,  0.03,  0.03)
181:     bond    ( 21.570,   8.503,  35.884)  ( 21.574,   8.504,  35.894)  ( 0.02,  0.00,  0.03)
181:     angle   ( -3.708, -26.999,   8.623)  ( -3.707, -26.997,   8.624)  ( 0.04,  0.01,  0.01)
181:     torsion ( -2.608,   2.873,   0.887)  ( -2.608,   2.873,   0.887)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.518,  28.753,  -6.080)  (-10.518,  28.754,  -6.080)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       ( 72.754,   0.873, -14.533)  ( 72.760,   0.880, -14.521)  ( 0.01,  0.58,  0.08)
181:     bond    (  1.977,  20.116, -45.686)  (  1.977,  20.119, -45.674)  ( 0.01,  0.01,  0.03)
181:     angle   ( 13.749,  30.884,  14.200)  ( 13.753,  30.886,  14.200)  ( 0.03,  0.01,  0.00)
181:     torsion (  2.619,   9.092,   4.119)  (  2.620,   9.093,   4.119)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 54.409, -59.219,  12.834)  ( 54.410, -59.218,  12.834)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       ( 43.347,  21.559,  39.370)  ( 43.352,  21.568,  39.378)  ( 0.01,  0.04,  0.02)
181:     bond    ( -2.040,  32.043,  31.725)  ( -2.040,  32.050,  31.732)  ( 0.01,  0.02,  0.02)
181:     angle   ( 35.192,  14.594, -12.480)  ( 35.196,  14.595, -12.479)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.882,  -8.652,   8.681)  ( -0.882,  -8.651,   8.681)  ( 0.02,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.077, -16.427,  11.443)  ( 11.078, -16.426,  11.443)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g0v_mix.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       ( 20.739, -16.581,  38.050)  ( 20.744, -16.575,  38.062)  ( 0.02,  0.04,  0.03)
181:     bond    ( -1.456, -14.668,  26.526)  ( -1.456, -14.665,  26.536)  ( 0.01,  0.02,  0.04)
181:     angle   ( -7.505,  -1.343,  -1.153)  ( -7.502,  -1.341,  -1.153)  ( 0.04,  0.13,  0.05)
181:     torsion ( 12.012,  -6.112,  -2.718)  ( 12.012,  -6.111,  -2.718)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.689,   5.542,  15.396)  ( 17.690,   5.543,  15.396)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( -9.513, -10.340, -51.789)  ( -9.509, -10.332, -51.780)  ( 0.05,  0.08,  0.02)
181:     bond    (  1.529, -22.811, -24.383)  (  1.529, -22.804, -24.376)  ( 0.01,  0.03,  0.03)
181:     angle   (  2.795,   3.734,  -3.320)  (  2.799,   3.735,  -3.319)  ( 0.12,  0.03,  0.03)
181:     torsion (-11.027,  11.386, -11.344)  (-11.027,  11.386, -11.344)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.810,  -2.650, -12.741)  ( -2.809,  -2.649, -12.741)  ( 0.04,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (  7.764,  -8.888, -82.637)  (  7.767,  -8.880, -82.625)  ( 0.04,  0.09,  0.01)
181:     bond    (  0.583,  21.754, -28.028)  (  0.582,  21.759, -28.020)  ( 0.01,  0.02,  0.03)
181:     angle   ( -6.302,  -6.960,  -5.535)  ( -6.299,  -6.957,  -5.534)  ( 0.05,  0.03,  0.03)
181:     torsion ( 11.584,  -9.359,  -7.027)  ( 11.585,  -9.359,  -7.027)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.899, -14.323, -42.046)  (  1.899, -14.323, -42.045)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       ( 15.771, -54.382,  11.456)  ( 15.776, -54.374,  11.464)  ( 0.03,  0.01,  0.07)
181:     bond    ( -2.380, -21.430,  23.359)  ( -2.380, -21.424,  23.366)  ( 0.00,  0.03,  0.03)
181:     angle   ( -0.520,   6.883,   6.258)  ( -0.517,   6.884,   6.259)  ( 0.17,  0.02,  0.02)
181:     torsion ( 20.490, -19.643, -15.922)  ( 20.490, -19.642, -15.922)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.819, -20.193,  -2.239)  ( -1.818, -20.192,  -2.239)  ( 0.05,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       (-20.601,  -1.270, -45.454)  (-20.596,  -1.265, -45.443)  ( 0.02,  0.41,  0.02)
181:     bond    ( -2.300, -15.456, -26.859)  ( -2.300, -15.452, -26.849)  ( 0.00,  0.02,  0.04)
181:     angle   ( 20.424,  -0.699,  -1.349)  ( 20.427,  -0.698,  -1.348)  ( 0.02,  0.12,  0.04)
181:     torsion (-15.240,  28.309, -14.988)  (-15.239,  28.309, -14.987)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-23.486, -13.424,  -2.259)  (-23.484, -13.424,  -2.259)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       (-36.188,  29.042, -85.024)  (-36.183,  29.055, -85.019)  ( 0.01,  0.04,  0.01)
181:     bond    ( -2.350,  35.403, -10.280)  ( -2.350,  35.416, -10.279)  ( 0.00,  0.04,  0.01)
181:     angle   ( -5.201,  -7.746, -25.504)  ( -5.198,  -7.746, -25.500)  ( 0.06,  0.00,  0.01)
181:     torsion (-15.969, -16.076, -51.740)  (-15.969, -16.077, -51.740)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-12.668,  17.462,   2.500)  (-12.667,  17.462,   2.500)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       (-15.019, -62.910, -10.944)  (-15.015, -62.898, -10.940)  ( 0.03,  0.02,  0.04)
181:     bond    (  9.749, -31.825,  15.219)  (  9.750, -31.815,  15.221)  ( 0.01,  0.03,  0.01)
179:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
179:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
179:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
179:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       (  1.903,   0.126,  -0.903)  (  1.903,   0.131,  -0.902)  ( 0.00,  0.07,  0.08)
179:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
179:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
179:     electro (  1.267,  -0.125,   0.347)  (  1.267,  -0.125,   0.347)  ( 0.00,  0.00,  0.00)
179: 65       (-13.463,  -0.711,   6.828)  (-13.458,  -0.711,   6.829)  ( 0.04,  0.02,  0.01)
179:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
179:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
179:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
179:     electro (  4.450,   0.427,  -2.326)  (  4.450,   0.427,  -2.326)  ( 0.00,  0.00,  0.00)
179: ok 14 # gradients 
179: ok 15 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
177:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
177:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
177:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.211,   0.490,   1.592)  ( -0.170,   0.415,   1.339)  ( 0.88,  3.66, 15.89)
177:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
177:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
177:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
177:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.205,   0.452,   1.462)  ( -0.171,   0.371,   1.207)  ( 0.71,  3.68, 17.45)
177:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
177:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
177:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
177:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
177:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
177:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
177:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
177:  9       (  0.946,  -1.368,  -4.548)  (  0.837,  -1.147,  -3.903)  (10.32, 16.19, 14.19)
177:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
177:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
177:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
177:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.745,  -1.298,  -3.922)  (  0.629,  -1.083,  -3.278)  ( 8.65, 16.58, 16.41)
177:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
177:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
177: 10       ( -0.051,  -0.123,  -0.257)  ( -0.046,  -0.109,  -0.239)  ( 0.02,  0.17,  0.44)
177:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
177:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.383,   0.976,   3.097)  ( -0.383,   0.976,   3.098)  ( 0.00,  0.02,  0.04)
177:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
177:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
177:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
177: 11       ( -1.565,   1.497,  -6.484)  ( -1.426,   1.426,  -5.566)  ( 8.90,  4.71, 14.17)
177:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
177:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
177:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
177:     torsion (  0.030,  -0.147,  -1.459)  (  0.030,  -0.146,  -1.458)  ( 0.00,  0.00,  0.07)
177:     oop     ( -1.363,   1.188,  -6.786)  ( -1.230,   1.111,  -5.870)  ( 9.71,  6.48, 13.50)
177:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
177:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
179:  1       ( -1.742,  28.428,  11.907)  ( -1.764,  28.344,  12.060)  ( 1.23,  0.30,  1.28)
179:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
179:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
179:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
179:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
179:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
179:     electro (  0.018,   0.220,   0.101)  (  0.018,   0.220,   0.101)  ( 0.00,  0.00,  0.00)
179:  2       (-43.349,  -2.957,  -5.099)  (-43.316,  -2.878,  -5.218)  ( 0.08,  2.69,  2.34)
179:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
179:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
179:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
179:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
179:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
179:     electro (  0.073,  -0.137,  -0.114)  (  0.073,  -0.137,  -0.114)  ( 0.00,  0.00,  0.00)
179:  3       ( 26.528,  25.489,  14.637)  ( 26.499,  25.389,  14.815)  ( 0.11,  0.39,  1.22)
179:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
179:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
179:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
179:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
179:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
179:     electro (  0.089,  -0.229,  -0.294)  (  0.089,  -0.229,  -0.294)  ( 0.00,  0.00,  0.00)
179:  4       ( 30.352,   2.828,   6.301)  ( 30.363,   2.860,   6.551)  ( 0.04,  1.11,  3.98)
179:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
179:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
179:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
179:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
179:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
179:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.048,   0.082,  -0.029)  ( -0.048,   0.082,  -0.029)  ( 0.00,  0.00,  0.00)
179:  5       ( -7.959, -75.966, -41.392)  ( -7.969, -76.008, -41.306)  ( 0.13,  0.05,  0.21)
179:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
179:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
179:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
179:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
179:     electro (  0.003,  -0.050,  -0.029)  (  0.003,  -0.050,  -0.029)  ( 0.00,  0.00,  0.00)
179:  6       (-30.275,  -4.989,  10.254)  (-30.271,  -4.995,   9.731)  ( 0.01,  0.12,  5.10)
179:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
179:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
179:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
181:     angle   ( -8.627,   5.965,  17.990)  ( -8.625,   5.965,  17.993)  ( 0.03,  0.01,  0.01)
181:     torsion (-15.181, -21.195, -34.574)  (-15.181, -21.194, -34.575)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.960, -15.855,  -9.579)  ( -0.960, -15.854,  -9.579)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       (-28.471,  30.602, -47.591)  (-28.466,  30.605, -47.578)  ( 0.02,  0.01,  0.03)
181:     bond    (-13.150,  -6.799, -35.271)  (-13.148,  -6.799, -35.260)  ( 0.01,  0.00,  0.03)
181:     angle   (-17.889,  11.898,   4.374)  (-17.886,  11.901,   4.375)  ( 0.01,  0.02,  0.01)
181:     torsion ( -4.815,  38.873,  -5.700)  ( -4.815,  38.873,  -5.700)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.383, -13.370, -10.993)  (  7.384, -13.369, -10.993)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 64       ( 12.189,  96.663, -26.883)  ( 12.188,  96.685, -26.877)  ( 0.00,  0.02,  0.02)
181:     bond    (  8.251,  84.539, -22.501)  (  8.251,  84.561, -22.500)  ( 0.00,  0.03,  0.00)
181:     angle   (  2.144, -11.923, -44.028)  (  2.144, -11.923, -44.025)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.474,  -0.037,   0.033)  (  0.474,  -0.037,   0.033)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.319,  24.085,  39.613)  (  1.319,  24.085,  39.614)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 65       (-284.611,  11.023, 333.937)  (-284.581,  11.023, 333.948)  ( 0.01,  0.00,  0.00)
181:     bond    (  9.512,   1.540,  -0.214)  (  9.534,   1.541,  -0.214)  ( 0.24,  0.04,  0.00)
181:     angle   ( -0.345,   0.715, -10.236)  ( -0.345,   0.715, -10.232)  ( 0.00,  0.00,  0.04)
181:     torsion ( -0.025,   0.154,   0.012)  ( -0.025,   0.154,   0.012)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-293.753,   8.613, 344.376)  (-293.745,   8.613, 344.383)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 14 # gradients 
181: ok 15 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (301.772, 181.352,  45.300)  (301.694, 180.986,  45.998)  ( 0.03,  0.20,  1.54)
181:     bond    ( -1.833,  -0.557,  -0.639)  ( -1.799,  -0.537,  -0.631)  ( 1.87,  1.12,  0.49)
181:     angle   (290.509, 137.927, 119.299)  (290.523, 137.938, 119.304)  ( 0.00,  0.01,  0.00)
181:     torsion ( 12.278,  42.204, -69.671)  ( 12.279,  42.210, -69.655)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.666,   2.233,  -3.691)  (  0.540,   1.829,  -3.022)  ( 8.41, 18.09, 18.14)
181:     vdw     (  0.152,  -0.454,   0.002)  (  0.152,  -0.454,   0.002)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-247.311, -31.248,  77.114)  (-247.151, -30.869,  76.570)  ( 0.06,  1.21,  0.70)
181:     bond    (  2.768,   2.470,   2.169)  (  2.795,   2.489,   2.176)  ( 0.97,  0.79,  0.33)
181:     angle   (-228.121,  23.105, -12.124)  (-228.109,  23.115, -12.121)  ( 0.01,  0.04,  0.03)
181:     torsion (-18.738, -51.579,  86.865)  (-18.737, -51.574,  86.881)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.643,  -1.871,   3.129)  ( -0.523,  -1.527,   2.559)  ( 7.71, 18.39, 18.22)
181:     vdw     ( -2.578,  -3.373,  -2.925)  ( -2.577,  -3.373,  -2.925)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 53.994, 107.586, -72.680)  ( 53.960, 107.403, -72.295)  ( 0.06,  0.17,  0.53)
181:     bond    (  4.664,  -1.988,  -0.584)  (  4.689,  -1.967,  -0.575)  ( 0.53,  1.05,  0.52)
181:     angle   ( 30.408,  40.045,  38.844)  ( 30.422,  40.056,  38.849)  ( 0.05,  0.03,  0.01)
181:     torsion ( 23.917,  67.645, -110.408)  ( 23.918,  67.650, -110.396)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.405,   1.150,  -1.877)  (  0.331,   0.931,  -1.519)  ( 3.03, 19.03, 19.05)
181:     vdw     ( -5.400,   0.733,   1.346)  ( -5.400,   0.733,   1.346)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-219.542, -42.542, -106.540)  (-219.533, -42.595, -106.018)  ( 0.00,  0.13,  0.49)
181:     bond    (  9.694,   0.197,   1.892)  (  9.728,   0.218,   1.902)  ( 0.34,  0.41,  0.51)
181:     angle   (-225.909, -61.230, -28.678)  (-225.892, -61.214, -28.674)  ( 0.01,  0.03,  0.01)
181:     torsion (  5.825,  17.750, -74.597)  (  5.826,  17.757, -74.582)  ( 0.01,  0.04,  0.02)
181:     oop     (  0.187,   0.512,  -1.976)  (  0.145,   0.414,  -1.483)  ( 0.77,  4.98, 24.96)
181:     vdw     ( -9.340,   0.229,  -3.180)  ( -9.339,   0.229,  -3.180)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-103.988, -378.716, -28.757)  (-103.811, -378.276, -29.357)  ( 0.17,  0.12,  2.09)
181:     bond    (  5.906,  -1.531,   0.403)  (  5.943,  -1.502,   0.415)  ( 0.63,  1.85,  0.49)
181:     angle   (-74.604, -284.643, -178.344)  (-74.592, -284.628, -178.339)  ( 0.02,  0.01,  0.00)
181:     torsion (-28.510, -93.641, 147.850)  (-28.509, -93.635, 147.866)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.683,  -2.271,   3.669)  ( -0.556,  -1.881,   3.036)  ( 8.64, 17.19, 17.27)
181:     vdw     ( -6.097,   3.370,  -2.335)  ( -6.097,   3.371,  -2.335)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (234.949,  78.410, 194.466)  (235.045,  78.340, 193.137)  ( 0.04,  0.09,  0.68)
181:     bond    (-10.131,  -0.808,   0.668)  (-10.097,  -0.779,   0.668)  ( 0.34,  2.32,  0.03)
181:     angle   (234.241,  52.030,  46.614)  (234.258,  52.048,  46.615)  ( 0.01,  0.04,  0.00)
181:     torsion (  0.764,  25.463, 141.630)  (  0.765,  25.465, 141.650)  ( 0.02,  0.01,  0.01)
181:     oop     ( -0.150,   0.547,   6.594)  ( -0.106,   0.427,   5.244)  ( 0.65,  6.52, 20.47)
181:     vdw     ( 10.225,   1.178,  -1.039)  ( 10.225,   1.178,  -1.039)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (103.309, 319.286, -232.860)  (103.306, 319.605, -231.042)  ( 0.00,  0.10,  0.78)
181:     bond    ( -5.496,   0.840,  -0.583)  ( -5.457,   0.878,  -0.582)  ( 0.70,  3.22,  0.04)
181:     angle   ( 99.415, 352.868, -36.595)  ( 99.427, 352.888, -36.595)  ( 0.01,  0.01,  0.00)
181:     torsion (  2.400, -30.742, -183.519)  (  2.401, -30.741, -183.498)  ( 0.01,  0.00,  0.01)
181:     oop     (  0.033,  -1.277,  -9.904)  ( -0.021,  -1.017,  -8.109)  ( 0.18, 20.38, 18.12)
181:     vdw     (  6.957,  -2.403,  -2.258)  (  6.957,  -2.403,  -2.258)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-313.516, -162.733, 107.280)  (-313.485, -162.746, 106.724)  ( 0.01,  0.01,  0.52)
181:     bond    (  1.436,   0.669,  -0.084)  (  1.470,   0.696,  -0.084)  ( 2.43,  1.81,  0.00)
181:     angle   (-316.967, -170.821,  23.120)  (-316.952, -170.805,  23.121)  ( 0.00,  0.01,  0.00)
181:     torsion (  2.083,   6.673,  80.649)  (  2.083,   6.673,  80.671)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.128,   0.337,   3.437)  (  0.110,   0.281,   2.859)  ( 0.23,  1.88, 16.84)
181:     vdw     ( -0.195,   0.410,   0.157)  ( -0.195,   0.410,   0.157)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (239.221, -18.397,  66.490)  (239.245, -18.405,  66.061)  ( 0.01,  0.05,  0.65)
181:     bond    ( -2.872,  -3.159,   0.473)  ( -2.844,  -3.133,   0.474)  ( 0.96,  0.82,  0.01)
181:     angle   (236.450, -26.016,   1.239)  (236.462, -26.003,   1.239)  ( 0.01,  0.05,  0.03)
181:     torsion (  2.401,   6.602,  63.163)  (  2.401,   6.602,  63.184)  ( 0.00,  0.00,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g0w_ake.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g11_0w7.sdf
179:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
179:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
179:     electro (  0.053,  -0.066,  -0.053)  (  0.053,  -0.066,  -0.053)  ( 0.00,  0.00,  0.00)
179:  7       ( 12.681,  86.824, -19.019)  ( 12.702,  86.782, -19.289)  ( 0.17,  0.05,  1.42)
179:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
179:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
179:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
179:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.001,   0.057,  -0.004)  ( -0.001,   0.057,  -0.004)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.291, -31.753,   6.515)  ( -0.281, -31.746,   6.468)  ( 0.30,  0.02,  0.71)
179:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
179:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
179:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
179:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.028,  -0.242,  -0.006)  ( -0.028,  -0.242,  -0.006)  ( 0.00,  0.00,  0.00)
179:  9       ( 44.982,   3.387,   2.990)  ( 44.985,   3.386,   2.902)  ( 0.01,  0.03,  2.94)
179:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
179:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
179:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
179:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.060,   0.176,  -0.057)  ( -0.060,   0.176,  -0.057)  ( 0.00,  0.00,  0.00)
179: 10       (-30.774, -26.770,  -2.379)  (-30.760, -26.705,  -1.847)  ( 0.04,  0.25, 22.36)
179:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
179:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
179:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.051,   0.334,  -0.183)  ( -0.051,   0.334,  -0.183)  ( 0.00,  0.00,  0.00)
179: 11       (-26.667, -22.028,   3.570)  (-26.663, -22.040,   3.403)  ( 0.01,  0.05,  4.70)
179:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
179:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
179:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
179:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
179:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.002,  -0.091,   0.203)  ( -0.002,  -0.091,   0.203)  ( 0.00,  0.00,  0.00)
179: 12       ( -2.870,   3.726,  -2.257)  ( -2.866,   3.733,  -2.186)  ( 0.13,  0.18,  3.13)
181:     oop     (  0.090,   0.271,   2.597)  (  0.073,   0.223,   2.146)  ( 0.15,  1.31, 17.36)
181:     vdw     (  3.153,   3.905,  -0.983)  (  3.153,   3.905,  -0.983)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-58.372, -59.689, -117.312)  (-58.318, -59.555, -116.461)  ( 0.09,  0.22,  0.72)
181:     bond    ( -4.647,   1.930,  -0.560)  ( -4.622,   1.958,  -0.559)  ( 0.55,  1.48,  0.03)
181:     angle   (-52.538, -44.247,  17.989)  (-52.523, -44.233,  17.990)  ( 0.03,  0.03,  0.01)
181:     torsion ( -6.022, -15.499, -132.273)  ( -6.022, -15.498, -132.259)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.077,  -0.470,  -4.290)  ( -0.064,  -0.379,  -3.455)  ( 0.10,  4.29, 19.46)
181:     vdw     (  4.912,  -1.402,   1.822)  (  4.913,  -1.402,   1.822)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-151.248, -155.360,  -2.039)  (-151.224, -155.355,  -2.266)  ( 0.02,  0.00, 11.15)
181:     bond    (  0.883,   8.752,  -1.624)  (  0.901,   8.774,  -1.606)  ( 1.55,  0.24,  1.12)
181:     angle   (-164.678, -149.716,  -0.681)  (-164.668, -149.706,  -0.675)  ( 0.01,  0.01,  0.40)
181:     torsion ( 10.920,  -5.505,  -3.117)  ( 10.918,  -5.505,  -3.116)  ( 0.01,  0.01,  0.03)
181:     oop     (  0.013,   0.092,   0.954)  (  0.011,   0.067,   0.702)  ( 0.00,  0.23, 24.07)
181:     vdw     (  1.614,  -8.984,   2.429)  (  1.614,  -8.984,   2.429)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       ( 13.751, -24.647, -39.803)  ( 13.766, -24.624, -39.582)  ( 0.11,  0.09,  0.56)
181:     bond    ( -0.858,  -0.484,   0.045)  ( -0.847,  -0.480,   0.045)  ( 0.97,  0.18,  0.00)
181:     angle   ( 11.796, -20.447,   3.862)  ( 11.797, -20.444,   3.862)  ( 0.01,  0.02,  0.01)
181:     torsion ( -0.709,  -2.781, -43.150)  ( -0.709,  -2.781, -43.144)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.009,  -0.053,  -0.741)  ( -0.007,  -0.037,  -0.525)  ( 0.00,  0.09, 15.98)
181:     vdw     (  3.531,  -0.882,   0.180)  (  3.531,  -0.882,   0.180)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-34.984, -37.445,  -8.191)  (-34.968, -37.411,  -7.953)  ( 0.05,  0.09,  2.90)
181:     bond    ( -2.120,   1.944,  -0.158)  ( -2.112,   1.950,  -0.158)  ( 0.38,  0.35,  0.00)
181:     angle   (-35.398, -37.804,   6.546)  (-35.397, -37.802,   6.545)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.309,  -1.427, -13.490)  ( -0.309,  -1.427, -13.484)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.021,  -0.100,  -0.952)  ( -0.015,  -0.075,  -0.719)  ( 0.01,  0.25, 22.11)
181:     vdw     (  2.865,  -0.058,  -0.137)  (  2.865,  -0.058,  -0.137)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (166.639, 130.450,  95.534)  (166.694, 130.564,  95.423)  ( 0.03,  0.09,  0.12)
181:     bond    ( -0.427,  -7.502,  -4.745)  ( -0.410,  -7.481,  -4.726)  ( 0.73,  0.28,  0.40)
181:     angle   (171.435, 135.443,  86.513)  (171.445, 135.451,  86.520)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.753,  -4.467,   7.534)  ( -1.753,  -4.466,   7.537)  ( 0.01,  0.02,  0.03)
181:     oop     ( -0.107,  -0.320,   0.527)  ( -0.079,  -0.235,   0.388)  ( 0.30,  2.71,  7.32)
181:     vdw     ( -2.509,   7.296,   5.704)  ( -2.508,   7.296,   5.704)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (-13.714,  13.703,  11.933)  (-13.644,  13.889,  11.645)  ( 0.51,  1.35,  2.42)
181:     bond    (  0.886,   0.415,   0.424)  (  0.896,   0.417,   0.427)  ( 0.92,  0.09,  0.10)
181:     angle   (-10.001,  17.493,   3.901)  ( -9.999,  17.496,   3.901)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.208,  -4.254,   6.691)  ( -1.207,  -4.253,   6.695)  ( 0.01,  0.04,  0.07)
181:     oop     ( -0.196,  -0.624,   1.022)  ( -0.139,  -0.445,   0.726)  ( 1.13, 11.17, 28.95)
181:     vdw     ( -3.195,   0.674,  -0.104)  ( -3.195,   0.674,  -0.104)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 32.568,  31.600,  21.423)  ( 32.536,  31.483,  21.634)  ( 0.10,  0.37,  0.98)
181:     bond    (  2.020,  -1.650,  -0.589)  (  2.029,  -1.644,  -0.588)  ( 0.43,  0.34,  0.04)
181:     angle   ( 32.320,  30.184,  27.103)  ( 32.321,  30.186,  27.104)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.868,   2.390,  -3.694)  (  0.868,   2.391,  -3.690)  ( 0.01,  0.06,  0.11)
181:     oop     (  0.170,   0.510,  -0.839)  (  0.128,   0.384,  -0.634)  ( 0.72,  6.42, 17.23)
181:     vdw     ( -2.810,   0.165,  -0.558)  ( -2.810,   0.166,  -0.558)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 83.517,  16.992, -11.075)  ( 83.468,  16.852, -10.802)  ( 0.06,  0.82,  2.46)
181:     bond    ( -0.553,   4.541,   2.614)  ( -0.553,   4.557,   2.619)  ( 0.01,  0.36,  0.21)
181:     angle   ( 82.083,  -0.222,  17.717)  ( 82.087,  -0.222,  17.717)  ( 0.01,  0.00,  0.00)
181:     torsion (  5.269,  15.175, -25.296)  (  5.270,  15.177, -25.292)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.230,   0.713,  -1.192)  (  0.176,   0.555,  -0.929)  ( 1.25, 11.24, 22.05)
181:     vdw     ( -3.512,  -3.215,  -4.917)  ( -3.512,  -3.215,  -4.917)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-90.967,  16.173, 118.304)  (-90.929,  16.057, 117.521)  ( 0.04,  0.72,  0.66)
181:     bond    (  0.210,  -4.745,   0.834)  (  0.210,  -4.724,   0.834)  ( 0.00,  0.45,  0.06)
181:     angle   (-93.772,  -4.843,  -3.809)  (-93.768,  -4.843,  -3.809)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.467,  21.186, 120.314)  ( -1.467,  21.186, 120.320)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.035,   0.621,   3.525)  ( -0.002,   0.483,   2.736)  ( 0.12,  8.56, 22.38)
181:     vdw     (  4.097,   3.955,  -2.560)  (  4.097,   3.955,  -2.560)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-87.215, -43.200, -51.128)  (-87.208, -43.194, -51.123)  ( 0.01,  0.01,  0.01)
181:     bond    ( -0.306,   0.292,   0.237)  ( -0.301,   0.298,   0.240)  ( 0.16,  0.15,  0.08)
181:     angle   (-88.178, -61.843, -33.686)  (-88.176, -61.842, -33.684)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.338,  15.260, -20.588)  ( -1.338,  15.260, -20.588)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.607,   3.090,   2.908)  (  2.607,   3.090,   2.908)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-27.197, -58.402,  -2.711)  (-27.190, -58.398,  -2.703)  ( 0.02,  0.01,  0.29)
181:     bond    ( -1.957,   0.921,  -2.164)  ( -1.952,   0.923,  -2.157)  ( 0.29,  0.12,  0.32)
181:     angle   ( -7.421, -59.431, -18.712)  ( -7.420, -59.428, -18.711)  ( 0.01,  0.00,  0.00)
181:     torsion (-18.345,  -1.997,  15.745)  (-18.345,  -1.997,  15.745)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.527,   2.104,   2.420)  (  0.527,   2.104,   2.420)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 11.122, -50.089, -42.997)  ( 11.128, -50.082, -42.990)  ( 0.05,  0.01,  0.02)
181:     bond    ( -1.164,  -1.398,   1.214)  ( -1.160,  -1.393,   1.218)  ( 0.34,  0.40,  0.36)
181:     angle   ( -6.372, -37.992, -49.495)  ( -6.370, -37.991, -49.493)  ( 0.02,  0.00,  0.00)
181:     torsion ( 19.921, -12.925,   4.198)  ( 19.921, -12.925,   4.198)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.263,   2.227,   1.086)  ( -1.263,   2.227,   1.086)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( -0.246,  86.674,  -3.924)  ( -0.234,  86.677,  -3.920)  ( 0.28,  0.00,  0.10)
181:     bond    (  2.839,   0.011,  -1.453)  (  2.850,   0.011,  -1.450)  ( 0.39,  0.00,  0.20)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g16_0vm.sdf
179:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
179:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
179:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
179:     electro (  0.172,  -0.037,   0.018)  (  0.172,  -0.037,   0.018)  ( 0.00,  0.00,  0.00)
179: 13       ( -3.039,  -3.637,  -0.645)  ( -3.036,  -3.632,  -0.621)  ( 0.10,  0.13,  1.57)
179:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
179:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
179:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
179:     electro (  0.134,  -0.226,   0.039)  (  0.134,  -0.226,   0.039)  ( 0.00,  0.00,  0.00)
179: 14       ( 26.477,  19.962,  14.448)  ( 26.502,  20.025,  14.358)  ( 0.09,  0.32,  0.62)
179:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
179:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
179:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
179:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.030,  -0.005,   0.217)  ( -0.030,  -0.005,   0.217)  ( 0.00,  0.00,  0.00)
179: 15       (  3.238,  -4.313,  -1.243)  (  3.260,  -4.253,  -1.338)  ( 0.67,  1.38,  7.68)
179:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
179:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
179:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.168,   0.032,   0.001)  ( -0.168,   0.032,   0.001)  ( 0.00,  0.00,  0.00)
179: 16       (  2.827,   3.165,   1.873)  (  2.825,   3.154,   1.894)  ( 0.07,  0.35,  1.16)
179:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
179:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
179:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.145,   0.192,   0.110)  ( -0.145,   0.192,   0.110)  ( 0.00,  0.00,  0.00)
179: 17       ( 10.855,  29.221,  17.768)  ( 10.869,  29.262,  17.706)  ( 0.13,  0.14,  0.35)
179:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
179:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g17_0vn.sdf
177:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
177:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
177:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
177:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.161,   0.206,   0.379)  ( -0.135,   0.166,   0.239)  ( 0.42,  0.83,  5.33)
177:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
177:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
177:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.109,  -0.516,  -1.612)  (  0.109,  -0.516,  -1.611)  ( 0.00,  0.01,  0.06)
177:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
177:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
177:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
177: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
177:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
177:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
177:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
177:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
177: 16       (  0.592,  -6.830,  17.259)  (  0.475,  -6.321,  15.463)  ( 6.92,  7.44, 10.40)
177:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
177:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
177:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
177:     torsion (  2.180,  -3.338,  -2.414)  (  2.180,  -3.338,  -2.413)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.730,  -6.148,  15.666)  (  0.607,  -5.645,  13.868)  ( 8.98,  8.18, 11.48)
177:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
177:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.326,   0.524,   1.534)  ( -0.284,   0.447,   1.326)  ( 1.35,  4.06, 13.53)
177:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
177:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
177:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
177:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.243,   0.495,   1.264)  ( -0.205,   0.412,   1.051)  ( 0.93,  4.15, 16.89)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g1d_0vk.sdf
179:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
179:     electro (  0.615,   0.171,   0.131)  (  0.615,   0.171,   0.131)  ( 0.00,  0.00,  0.00)
179: 18       (-14.723, -32.439,  10.525)  (-14.730, -32.402,  10.710)  ( 0.05,  0.11,  1.75)
179:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
179:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
179:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.625,  -0.180,  -0.050)  ( -0.625,  -0.180,  -0.050)  ( 0.00,  0.00,  0.00)
179: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
179:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
179:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
179:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
179:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
179:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
179:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
179:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
179:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
179:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
179:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
179:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
179:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g1f_0wg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g1n_nzt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g1w_g1w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g1x_tqu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g1y_0vo.sdf
177:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
177:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
177: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
177:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
177:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
177:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.014,   3.511,  -4.590)  (  0.033,   3.229,  -4.205)  ( 0.06,  8.04,  8.38)
177:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
177:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
177:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
177:     torsion ( -2.284,   2.619,  -3.338)  ( -2.284,   2.619,  -3.338)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.200,   3.236,  -4.287)  ( -0.160,   2.949,  -3.907)  ( 0.82,  8.88,  8.84)
177:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
177:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
177: 20       (  1.087,   1.726,  -6.160)  (  1.026,   1.634,  -5.527)  ( 5.62,  5.35, 10.28)
177:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
177:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
177:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
177:     torsion ( -0.113,   0.216,   3.410)  ( -0.113,   0.216,   3.410)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.933,   1.474,  -5.351)  (  0.867,   1.376,  -4.724)  ( 6.12,  6.66, 11.72)
177:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
177:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
177: 21       (  0.043,   0.049,  -0.100)  (  0.045,   0.051,  -0.100)  ( 0.01,  0.01,  0.01)
177:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
177:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.131,   0.198,   0.029)  (  0.131,   0.198,   0.029)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.097,   0.001,  -0.021)  ( -0.097,   0.002,  -0.017)  ( 0.01,  0.00,  0.01)
177:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
177:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
177:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.253,  -0.745,  -0.255)  (  0.253,  -0.745,  -0.255)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
177:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g1z_0vp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g20_484.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g28_0w8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2f_c07.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2g_tdh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2h_0vq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2j_0wf.sdf
177:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
177:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
177:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
177:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
177: 24       (  0.041,   0.038,  -0.066)  (  0.041,   0.040,  -0.065)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
177:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
177:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.220,   0.007,  -0.016)  (  0.220,   0.007,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
177:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
177:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
177:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
177:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
177:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.052,  -0.091,  -0.008)  ( -0.051,  -0.090,  -0.005)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
177:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.517,   0.425,   0.276)  ( -0.517,   0.425,   0.276)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
177:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
177:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
177:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
177:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
177: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
177:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2l_0wl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2o_tiy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2w_ni0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g2y_ni5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g3e_0wc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g3f_0wb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g3g_0wa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g3m_ai9.sdf
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
177:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
177:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
177:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
177:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
177:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
177:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
177:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
177:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
177:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
177:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
177: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
177:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
177:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
177:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g44_tzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g45_mqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g46_tty.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g47_tzf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g48_pzb.sdf
177:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
177:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
177:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
177: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
177:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
177:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
177:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
177: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
177:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
177:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
177:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
177:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
177:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
177: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
177:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
177:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
177:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
177:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
177:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
177: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
177:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
177: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
177:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
177: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
177:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
177:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
177:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
177: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
177:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
177:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
177:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
177:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
177: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
177:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
177:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
177:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
177:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
177: ok 24 # gradients 
177: ok 25 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g55_vh2.sdf
177:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
177:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
177:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
177:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
177:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
177:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
177:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
177:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
177:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
177:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
177:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
177:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
177:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
177:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
177:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
177:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
177:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
177:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
177:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
177:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
177:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
177:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
177:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
177:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
177:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
177:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
177:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
177:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
177:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
181:     angle   ( -1.405,  90.865,  -2.095)  ( -1.405,  90.868,  -2.094)  ( 0.03,  0.00,  0.07)
181:     torsion ( -1.193,   0.324,  -2.342)  ( -1.193,   0.324,  -2.343)  ( 0.01,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.486,  -4.526,   1.966)  ( -0.486,  -4.526,   1.966)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 29.339,  28.487, -18.032)  ( 29.341,  28.492, -18.020)  ( 0.01,  0.02,  0.07)
181:     bond    (  0.383,   0.838,   1.790)  (  0.383,   0.841,   1.801)  ( 0.02,  0.20,  0.61)
181:     angle   ( 32.234,  27.224, -19.575)  ( 32.235,  27.226, -19.574)  ( 0.01,  0.01,  0.00)
181:     torsion ( -2.678,   1.270,  -0.022)  ( -2.679,   1.269,  -0.022)  ( 0.02,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.599,  -0.845,  -0.224)  ( -0.599,  -0.845,  -0.224)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 77.507,  51.153,  -0.184)  ( 77.512,  51.160,  -0.179)  ( 0.01,  0.01,  0.09)
181:     bond    (  0.256,  -0.376,   0.294)  (  0.259,  -0.370,   0.298)  ( 0.08,  0.24,  0.12)
181:     angle   ( 84.291,  51.889,  -9.001)  ( 84.293,  51.890,  -9.000)  ( 0.00,  0.00,  0.01)
181:     torsion ( -4.380,   2.836,   7.322)  ( -4.381,   2.836,   7.322)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.659,  -3.197,   1.201)  ( -2.659,  -3.197,   1.201)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 16 # gradients 
181: ok 17 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (298.150,  97.504, -27.328)  (298.201,  97.544, -27.307)  ( 0.02,  0.04,  0.08)
181:     bond    (270.148,  57.230, -74.029)  (270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.641,   0.285,  -0.163)  ( -0.629,   0.299,  -0.154)  ( 0.77,  0.40,  0.14)
181:     torsion ( -0.291,   0.285,   0.476)  ( -0.286,   0.290,   0.487)  ( 0.15,  0.15,  0.51)
181:     oop     ( -0.005,   0.008,   0.016)  (  0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 28.939,  39.697,  46.371)  ( 28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.049, 281.242, -143.091)  ( -0.000, 281.292, -143.058)  ( 0.24,  0.02,  0.02)
181:     bond    ( -0.026, 223.722, -177.596)  (  0.000, 223.752, -177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,   0.102,  -0.415)  ( -0.000,   0.115,  -0.410)  ( 0.03,  0.14,  0.23)
181:     torsion ( -0.005,  -0.107,  -0.352)  (  0.000,  -0.104,  -0.338)  ( 0.00,  0.03,  0.48)
181:     oop     ( -0.000,  -0.006,  -0.013)  (  0.000,  -0.004,  -0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002,  57.531,  35.285)  ( -0.000,  57.532,  35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.049, -281.337, -143.091)  ( -0.000, -281.292, -143.058)  ( 0.24,  0.02,  0.02)
181:     bond    ( -0.026, -223.783, -177.596)  (  0.000, -223.752, -177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,  -0.129,  -0.415)  ( -0.000,  -0.115,  -0.410)  ( 0.03,  0.17,  0.23)
181:     torsion ( -0.005,   0.101,  -0.352)  ( -0.000,   0.104,  -0.338)  ( 0.00,  0.03,  0.48)
181:     oop     ( -0.000,   0.006,  -0.013)  (  0.000,   0.004,  -0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002, -57.533,  35.285)  ( -0.000, -57.532,  35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (298.150, -97.594, -27.328)  (298.201, -97.544, -27.307)  ( 0.02,  0.05,  0.08)
181:     bond    (270.148, -57.277, -74.029)  (270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
177:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
177:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
177:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
177:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
177:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
177:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
177:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
177:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
177:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
177:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
177:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
177:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
177:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
177:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
177:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
177: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
177:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
177:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
177:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
177:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
177:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
177: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
177:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
177:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
177:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
177:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
177:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
177:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
177:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
177:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
177:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
177:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
177:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
177:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
177:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
177:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
177:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
177:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g5f_0jd.sdf
181:     angle   ( -0.641,  -0.313,  -0.163)  ( -0.629,  -0.299,  -0.154)  ( 0.77,  0.44,  0.14)
181:     torsion ( -0.291,  -0.295,   0.476)  ( -0.286,  -0.290,   0.487)  ( 0.15,  0.16,  0.51)
181:     oop     ( -0.005,  -0.008,   0.016)  (  0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 28.939, -39.700,  46.371)  ( 28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-156.771, 186.884, -202.167)  (-156.738, 186.928, -202.126)  ( 0.02,  0.02,  0.02)
181:     bond    (-92.784, 168.051, -212.764)  (-92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,   0.692,   0.134)  ( -0.050,   0.706,   0.143)  ( 0.07,  0.99,  0.12)
181:     torsion (  0.267,   0.221,  -0.320)  (  0.273,   0.226,  -0.310)  ( 0.16,  0.11,  0.32)
181:     oop     (  0.007,   0.003,  -0.009)  (  0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201,  17.918,  10.792)  (-64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-156.771, -186.980, -202.167)  (-156.738, -186.928, -202.126)  ( 0.02,  0.03,  0.02)
181:     bond    (-92.784, -168.105, -212.764)  (-92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,  -0.721,   0.134)  ( -0.050,  -0.706,   0.143)  ( 0.07,  1.04,  0.12)
181:     torsion (  0.267,  -0.231,  -0.320)  (  0.273,  -0.226,  -0.310)  ( 0.16,  0.12,  0.32)
181:     oop     (  0.007,  -0.003,  -0.009)  (  0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201, -17.920,  10.792)  (-64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-298.242,  97.504, -27.328)  (-298.201,  97.544, -27.307)  ( 0.01,  0.04,  0.08)
181:     bond    (-270.205,  57.230, -74.029)  (-270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,   0.285,  -0.163)  (  0.629,   0.299,  -0.154)  ( 0.74,  0.40,  0.14)
181:     torsion (  0.281,   0.285,   0.476)  (  0.286,   0.290,   0.487)  ( 0.14,  0.15,  0.51)
181:     oop     (  0.005,   0.008,   0.016)  ( -0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     (-28.940,  39.697,  46.371)  (-28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-298.242, -97.594, -27.328)  (-298.201, -97.544, -27.307)  ( 0.01,  0.05,  0.08)
181:     bond    (-270.205, -57.277, -74.029)  (-270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,  -0.313,  -0.163)  (  0.629,  -0.299,  -0.154)  ( 0.74,  0.44,  0.14)
181:     torsion (  0.281,  -0.295,   0.476)  (  0.286,  -0.290,   0.487)  ( 0.14,  0.16,  0.51)
181:     oop     (  0.005,  -0.008,   0.016)  ( -0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     (-28.940, -39.700,  46.371)  (-28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (186.884, 202.096, 156.695)  (186.928, 202.126, 156.738)  ( 0.02,  0.02,  0.03)
181:     bond    (168.051, 212.732,  92.745)  (168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,  -0.152,   0.038)  (  0.706,  -0.143,   0.050)  ( 0.99,  0.14,  0.04)
181:     torsion (  0.221,   0.300,  -0.279)  (  0.226,   0.310,  -0.273)  ( 0.11,  0.30,  0.17)
181:     oop     (  0.003,   0.008,  -0.008)  ( -0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918, -10.793,  64.199)  ( 17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 27.266, 298.150,  97.504)  ( 27.307, 298.201,  97.544)  ( 0.15,  0.02,  0.04)
181:     bond    ( 74.008, 270.148,  57.230)  ( 74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,  -0.641,   0.285)  (  0.154,  -0.629,   0.299)  ( 0.13,  0.77,  0.40)
181:     torsion ( -0.498,  -0.291,   0.285)  ( -0.487,  -0.286,   0.290)  ( 0.53,  0.15,  0.15)
181:     oop     ( -0.016,  -0.005,   0.008)  ( -0.007,   0.000,   0.003)  ( 0.02,  0.00,  0.00)
177:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
177:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
177:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
177:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
177:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
177:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
177:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
177:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
177:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
177:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
177:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
177: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
177:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
177:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
177:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
177:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
177:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
177:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
177:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
177: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
177:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
177:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
177:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
177:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
177:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
177:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
177:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
177:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
177:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
177:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
177:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
177:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
177:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
177: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
177:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
177:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
177:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
177:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
177:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
177: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
177:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
177:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
177:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
177:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
177: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
177:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
177:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
177:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
177:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
177:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
177:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
177:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
177:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
177:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
177: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
177:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
177:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
177:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
179:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
179:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
179:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 16 # gradients 
179: ok 17 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
177:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
177: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
177:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
177:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
177:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
177:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
177:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
177:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
177:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
177:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
177:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
177:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
177: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
177:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
177:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
177:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
177:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
177:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
177: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
177:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
177:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
177:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
177:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
177: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
177:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
177:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
177:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
181:     vdw     (-46.373,  28.939,  39.697)  (-46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 27.266, -298.242,  97.504)  ( 27.307, -298.201,  97.544)  ( 0.15,  0.01,  0.04)
181:     bond    ( 74.008, -270.205,  57.230)  ( 74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,   0.617,   0.285)  (  0.154,   0.629,   0.299)  ( 0.13,  0.74,  0.40)
181:     torsion ( -0.498,   0.281,   0.285)  ( -0.487,   0.286,   0.290)  ( 0.53,  0.14,  0.15)
181:     oop     ( -0.016,   0.005,   0.008)  ( -0.007,  -0.000,   0.003)  ( 0.02,  0.00,  0.00)
181:     vdw     (-46.373, -28.940,  39.697)  (-46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (186.884, -202.167, 156.695)  (186.928, -202.126, 156.738)  ( 0.02,  0.02,  0.03)
181:     bond    (168.051, -212.764,  92.745)  (168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,   0.134,   0.038)  (  0.706,   0.143,   0.050)  ( 0.99,  0.12,  0.04)
181:     torsion (  0.221,  -0.320,  -0.279)  (  0.226,  -0.310,  -0.273)  ( 0.11,  0.32,  0.17)
181:     oop     (  0.003,  -0.009,  -0.008)  ( -0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918,  10.792,  64.199)  ( 17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (202.096, -156.771, -186.980)  (202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
181:     bond    (212.732, -92.784, -168.105)  (212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,  -0.061,  -0.721)  ( -0.143,  -0.050,  -0.706)  ( 0.14,  0.07,  1.04)
181:     torsion (  0.300,   0.267,  -0.231)  (  0.310,   0.273,  -0.226)  ( 0.30,  0.16,  0.12)
181:     oop     (  0.008,   0.007,  -0.003)  (  0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793, -64.201, -17.920)  (-10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-97.594,  27.266, -298.242)  (-97.544,  27.307, -298.201)  ( 0.05,  0.15,  0.01)
181:     bond    (-57.277,  74.008, -270.205)  (-57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,   0.145,   0.617)  ( -0.299,   0.154,   0.629)  ( 0.44,  0.13,  0.74)
181:     torsion ( -0.295,  -0.498,   0.281)  ( -0.290,  -0.487,   0.286)  ( 0.16,  0.53,  0.14)
181:     oop     ( -0.008,  -0.016,   0.005)  ( -0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     (-39.700, -46.373, -28.940)  (-39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (202.096, -156.771, 186.884)  (202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
181:     bond    (212.732, -92.784, 168.051)  (212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,  -0.061,   0.692)  ( -0.143,  -0.050,   0.706)  ( 0.14,  0.07,  0.99)
181:     torsion (  0.300,   0.267,   0.221)  (  0.310,   0.273,   0.226)  ( 0.30,  0.16,  0.11)
181:     oop     (  0.008,   0.007,   0.003)  (  0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793, -64.201,  17.918)  (-10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-281.337, 143.041,  -0.049)  (-281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
181:     bond    (-223.783, 177.585,  -0.026)  (-223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   ( -0.129,   0.404,  -0.016)  ( -0.115,   0.410,   0.000)  ( 0.17,  0.23,  0.03)
181:     torsion (  0.101,   0.325,  -0.005)  (  0.104,   0.338,  -0.000)  ( 0.03,  0.44,  0.00)
181:     oop     (  0.006,   0.012,  -0.000)  (  0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-57.533, -35.285,  -0.002)  (-57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g5f_15n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g5i_db7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g5j_0wm.sdf
177:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
177:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
177: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
177:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
177:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
177:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
177:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
177:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
177:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
177:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 26 # gradients 
177: ok 27 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
179:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
179:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
179:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
179:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
179:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g6i_rs3.sdf
177:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
177:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
177:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
177:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
177:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
177:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
177:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
177:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
177:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
177:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
177:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
177:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
177:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
177:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
177:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
177:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
177:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
177:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
177:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
177:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
177:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
177:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
177:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
177:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
177:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
177:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
181: 17       (156.695, -186.980, -202.167)  (156.738, -186.928, -202.126)  ( 0.03,  0.03,  0.02)
181:     bond    ( 92.745, -168.105, -212.764)  ( 92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,  -0.721,   0.134)  (  0.050,  -0.706,   0.143)  ( 0.04,  1.04,  0.12)
181:     torsion ( -0.279,  -0.231,  -0.320)  ( -0.273,  -0.226,  -0.310)  ( 0.17,  0.12,  0.32)
181:     oop     ( -0.008,  -0.003,  -0.009)  ( -0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199, -17.920,  10.792)  ( 64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-186.980, 202.096, 156.695)  (-186.928, 202.126, 156.738)  ( 0.03,  0.02,  0.03)
181:     bond    (-168.105, 212.732,  92.745)  (-168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,  -0.152,   0.038)  ( -0.706,  -0.143,   0.050)  ( 1.04,  0.14,  0.04)
181:     torsion ( -0.231,   0.300,  -0.279)  ( -0.226,   0.310,  -0.273)  ( 0.12,  0.30,  0.17)
181:     oop     ( -0.003,   0.008,  -0.008)  (  0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920, -10.793,  64.199)  (-17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-97.594,  27.266, 298.150)  (-97.544,  27.307, 298.201)  ( 0.05,  0.15,  0.02)
181:     bond    (-57.277,  74.008, 270.148)  (-57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,   0.145,  -0.641)  ( -0.299,   0.154,  -0.629)  ( 0.44,  0.13,  0.77)
181:     torsion ( -0.295,  -0.498,  -0.291)  ( -0.290,  -0.487,  -0.286)  ( 0.16,  0.53,  0.15)
181:     oop     ( -0.008,  -0.016,  -0.005)  ( -0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     (-39.700, -46.373,  28.939)  (-39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 97.504,  27.266, -298.242)  ( 97.544,  27.307, -298.201)  ( 0.04,  0.15,  0.01)
181:     bond    ( 57.230,  74.008, -270.205)  ( 57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,   0.145,   0.617)  (  0.299,   0.154,   0.629)  ( 0.40,  0.13,  0.74)
181:     torsion (  0.285,  -0.498,   0.281)  (  0.290,  -0.487,   0.286)  ( 0.15,  0.53,  0.14)
181:     oop     (  0.008,  -0.016,   0.005)  (  0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     ( 39.697, -46.373, -28.940)  ( 39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (156.695, 186.884, -202.167)  (156.738, 186.928, -202.126)  ( 0.03,  0.02,  0.02)
181:     bond    ( 92.745, 168.051, -212.764)  ( 92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,   0.692,   0.134)  (  0.050,   0.706,   0.143)  ( 0.04,  0.99,  0.12)
181:     torsion ( -0.279,   0.221,  -0.320)  ( -0.273,   0.226,  -0.310)  ( 0.17,  0.11,  0.32)
181:     oop     ( -0.008,   0.003,  -0.009)  ( -0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199,  17.918,  10.792)  ( 64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (143.041,  -0.049, 281.242)  (143.058,   0.000, 281.292)  ( 0.01,  0.24,  0.02)
181:     bond    (177.585,  -0.026, 223.722)  (177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
181:     angle   (  0.404,  -0.016,   0.102)  (  0.410,  -0.000,   0.115)  ( 0.23,  0.03,  0.14)
181:     torsion (  0.325,  -0.005,  -0.107)  (  0.338,   0.000,  -0.104)  ( 0.44,  0.00,  0.03)
181:     oop     (  0.012,  -0.000,  -0.006)  (  0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
181:     vdw     (-35.285,  -0.002,  57.531)  (-35.285,   0.000,  57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (202.096, 156.695, -186.980)  (202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
181:     bond    (212.732,  92.745, -168.105)  (212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,   0.038,  -0.721)  ( -0.143,   0.050,  -0.706)  ( 0.14,  0.04,  1.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g6n_ek0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g6o_e28.sdf
177:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
177:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
177:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
177:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
177:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
177:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
177:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
177:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
177:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
177:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
177:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
177:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
177:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
177:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
177:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
177:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
177:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
177:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
177: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
177:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
177:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
177:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
177:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
177: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
177:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
177:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
177:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
177:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
177:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
177:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
177: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g6w_pbx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g74_uq5.sdf
177:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
177:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
177:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
177:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
177:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
177:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
177: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
177:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
177:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
177:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
177:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
177: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
177:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
177:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
177:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
177: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
177:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
177:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
177:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
177:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
177:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
177: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
177:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
177:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
177:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
177: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
177:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
177:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
179:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
179:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
179:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
179:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
179:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
179:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
181:     torsion (  0.300,  -0.279,  -0.231)  (  0.310,  -0.273,  -0.226)  ( 0.30,  0.17,  0.12)
181:     oop     (  0.008,  -0.008,  -0.003)  (  0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793,  64.199, -17.920)  (-10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-27.328, -298.242,  97.504)  (-27.307, -298.201,  97.544)  ( 0.08,  0.01,  0.04)
181:     bond    (-74.029, -270.205,  57.230)  (-74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,   0.617,   0.285)  ( -0.154,   0.629,   0.299)  ( 0.14,  0.74,  0.40)
181:     torsion (  0.476,   0.281,   0.285)  (  0.487,   0.286,   0.290)  ( 0.51,  0.14,  0.15)
181:     oop     (  0.016,   0.005,   0.008)  (  0.007,  -0.000,   0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371, -28.940,  39.697)  ( 46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (-97.594, -27.328, -298.242)  (-97.544, -27.307, -298.201)  ( 0.05,  0.08,  0.01)
181:     bond    (-57.277, -74.029, -270.205)  (-57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,  -0.163,   0.617)  ( -0.299,  -0.154,   0.629)  ( 0.44,  0.14,  0.74)
181:     torsion ( -0.295,   0.476,   0.281)  ( -0.290,   0.487,   0.286)  ( 0.16,  0.51,  0.14)
181:     oop     ( -0.008,   0.016,   0.005)  ( -0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-39.700,  46.371, -28.940)  (-39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-186.980, -202.167, 156.695)  (-186.928, -202.126, 156.738)  ( 0.03,  0.02,  0.03)
181:     bond    (-168.105, -212.764,  92.745)  (-168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,   0.134,   0.038)  ( -0.706,   0.143,   0.050)  ( 1.04,  0.12,  0.04)
181:     torsion ( -0.231,  -0.320,  -0.279)  ( -0.226,  -0.310,  -0.273)  ( 0.12,  0.32,  0.17)
181:     oop     ( -0.003,  -0.009,  -0.008)  (  0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920,  10.792,  64.199)  (-17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (202.096, 156.695, 186.884)  (202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
181:     bond    (212.732,  92.745, 168.051)  (212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,   0.038,   0.692)  ( -0.143,   0.050,   0.706)  ( 0.14,  0.04,  0.99)
181:     torsion (  0.300,  -0.279,   0.221)  (  0.310,  -0.273,   0.226)  ( 0.30,  0.17,  0.11)
181:     oop     (  0.008,  -0.008,   0.003)  (  0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793,  64.199,  17.918)  (-10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-281.337, -143.091,  -0.049)  (-281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
181:     bond    (-223.783, -177.596,  -0.026)  (-223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   ( -0.129,  -0.415,  -0.016)  ( -0.115,  -0.410,   0.000)  ( 0.17,  0.23,  0.03)
181:     torsion (  0.101,  -0.352,  -0.005)  (  0.104,  -0.338,  -0.000)  ( 0.03,  0.48,  0.00)
181:     oop     (  0.006,  -0.013,  -0.000)  (  0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-57.533,  35.285,  -0.002)  (-57.532,  35.285,  -0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 97.504, -27.328, -298.242)  ( 97.544, -27.307, -298.201)  ( 0.04,  0.08,  0.01)
181:     bond    ( 57.230, -74.029, -270.205)  ( 57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,  -0.163,   0.617)  (  0.299,  -0.154,   0.629)  ( 0.40,  0.14,  0.74)
181:     torsion (  0.285,   0.476,   0.281)  (  0.290,   0.487,   0.286)  ( 0.15,  0.51,  0.14)
181:     oop     (  0.008,   0.016,   0.005)  (  0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g86_bnt.sdf
177:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
177: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
177:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
177:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
177:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
177:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
177: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
177:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
177:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
177:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
177: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
177:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
177:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
177:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
177:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
177: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
177:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
177:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
177:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
177:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
177:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
177: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
177:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
177:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
177:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
177: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
177:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g8n_g8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g8r_96p.sdf
177:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
177:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
177: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
177:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
177:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
177:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
177:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
177:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
177:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
177:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
177:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
177:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
177:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g8v_0ey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g8y_0ft.sdf
181:     vdw     ( 39.697,  46.371, -28.940)  ( 39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (281.242, 143.041,  -0.049)  (281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
181:     bond    (223.722, 177.585,  -0.026)  (223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   (  0.102,   0.404,  -0.016)  (  0.115,   0.410,   0.000)  ( 0.14,  0.23,  0.03)
181:     torsion ( -0.107,   0.325,  -0.005)  ( -0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
181:     oop     ( -0.006,   0.012,  -0.000)  ( -0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     ( 57.531, -35.285,  -0.002)  ( 57.532, -35.285,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (143.041,  -0.049, -281.337)  (143.058,   0.000, -281.292)  ( 0.01,  0.24,  0.02)
181:     bond    (177.585,  -0.026, -223.783)  (177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
181:     angle   (  0.404,  -0.016,  -0.129)  (  0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
181:     torsion (  0.325,  -0.005,   0.101)  (  0.338,   0.000,   0.104)  ( 0.44,  0.00,  0.03)
181:     oop     (  0.012,  -0.000,   0.006)  (  0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
181:     vdw     (-35.285,  -0.002, -57.533)  (-35.285,  -0.000, -57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-27.328, 298.150,  97.504)  (-27.307, 298.201,  97.544)  ( 0.08,  0.02,  0.04)
181:     bond    (-74.029, 270.148,  57.230)  (-74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,  -0.641,   0.285)  ( -0.154,  -0.629,   0.299)  ( 0.14,  0.77,  0.40)
181:     torsion (  0.476,  -0.291,   0.285)  (  0.487,  -0.286,   0.290)  ( 0.51,  0.15,  0.15)
181:     oop     (  0.016,  -0.005,   0.008)  (  0.007,   0.000,   0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371,  28.939,  39.697)  ( 46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-97.594, -27.328, 298.150)  (-97.544, -27.307, 298.201)  ( 0.05,  0.08,  0.02)
181:     bond    (-57.277, -74.029, 270.148)  (-57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,  -0.163,  -0.641)  ( -0.299,  -0.154,  -0.629)  ( 0.44,  0.14,  0.77)
181:     torsion ( -0.295,   0.476,  -0.291)  ( -0.290,   0.487,  -0.286)  ( 0.16,  0.51,  0.15)
181:     oop     ( -0.008,   0.016,  -0.005)  ( -0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-39.700,  46.371,  28.939)  (-39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (281.242, -143.091,  -0.049)  (281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
181:     bond    (223.722, -177.596,  -0.026)  (223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   (  0.102,  -0.415,  -0.016)  (  0.115,  -0.410,   0.000)  ( 0.14,  0.23,  0.03)
181:     torsion ( -0.107,  -0.352,  -0.005)  ( -0.104,  -0.338,   0.000)  ( 0.03,  0.48,  0.00)
181:     oop     ( -0.006,  -0.013,  -0.000)  ( -0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     ( 57.531,  35.285,  -0.002)  ( 57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (-202.167, 156.695, -186.980)  (-202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
181:     bond    (-212.764,  92.745, -168.105)  (-212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,   0.038,  -0.721)  (  0.143,   0.050,  -0.706)  ( 0.12,  0.04,  1.04)
181:     torsion ( -0.320,  -0.279,  -0.231)  ( -0.310,  -0.273,  -0.226)  ( 0.32,  0.17,  0.12)
181:     oop     ( -0.009,  -0.008,  -0.003)  ( -0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792,  64.199, -17.920)  ( 10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-202.167, 156.695, 186.884)  (-202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
177:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
177:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
177:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
177:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
177:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
177:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
177:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
177:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
177:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
177:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
179:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
179:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
179:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
179:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
179:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
179:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g90_0g0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g95_oag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g9c_0wp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4g9p_cdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ga3_4ga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gae_fob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gav_uq2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gb1_0lp.sdf
177:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
177:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
177:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
177:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
177: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
177:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
177:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
177:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
177: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
177:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
177:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
177: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
177:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
177:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
177: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
177:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
177:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
177:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
177: ok 28 # gradients 
177: ok 29 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gb2_0lq.sdf
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gb9_0wr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gca_2x9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gch_dmc.sdf
177:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
177:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
177:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
177:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
177:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
177:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
177:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
177:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
177:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
177:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
177:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
177:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
177:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
177:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
177:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
177:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
177:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
177:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
177:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
177:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
177:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
177:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
177:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
177:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
177:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
179:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
179:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
179:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
179:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
179:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
179:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
181:     bond    (-212.764,  92.745, 168.051)  (-212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,   0.038,   0.692)  (  0.143,   0.050,   0.706)  ( 0.12,  0.04,  0.99)
181:     torsion ( -0.320,  -0.279,   0.221)  ( -0.310,  -0.273,   0.226)  ( 0.32,  0.17,  0.11)
181:     oop     ( -0.009,  -0.008,   0.003)  ( -0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792,  64.199,  17.918)  ( 10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-143.091,  -0.049, 281.242)  (-143.058,  -0.000, 281.292)  ( 0.02,  0.24,  0.02)
181:     bond    (-177.596,  -0.026, 223.722)  (-177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
181:     angle   ( -0.415,  -0.016,   0.102)  ( -0.410,   0.000,   0.115)  ( 0.23,  0.03,  0.14)
181:     torsion ( -0.352,  -0.005,  -0.107)  ( -0.338,   0.000,  -0.104)  ( 0.48,  0.00,  0.03)
181:     oop     ( -0.013,  -0.000,  -0.006)  ( -0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 35.285,  -0.002,  57.531)  ( 35.285,  -0.000,  57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (-202.167, -156.771, -186.980)  (-202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
181:     bond    (-212.764, -92.784, -168.105)  (-212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,  -0.061,  -0.721)  (  0.143,  -0.050,  -0.706)  ( 0.12,  0.07,  1.04)
181:     torsion ( -0.320,   0.267,  -0.231)  ( -0.310,   0.273,  -0.226)  ( 0.32,  0.16,  0.12)
181:     oop     ( -0.009,   0.007,  -0.003)  ( -0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792, -64.201, -17.920)  ( 10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (-202.167, -156.771, 186.884)  (-202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
181:     bond    (-212.764, -92.784, 168.051)  (-212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,  -0.061,   0.692)  (  0.143,  -0.050,   0.706)  ( 0.12,  0.07,  0.99)
181:     torsion ( -0.320,   0.267,   0.221)  ( -0.310,   0.273,   0.226)  ( 0.32,  0.16,  0.11)
181:     oop     ( -0.009,   0.007,   0.003)  ( -0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792, -64.201,  17.918)  ( 10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( 97.504, -27.328, 298.150)  ( 97.544, -27.307, 298.201)  ( 0.04,  0.08,  0.02)
181:     bond    ( 57.230, -74.029, 270.148)  ( 57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,  -0.163,  -0.641)  (  0.299,  -0.154,  -0.629)  ( 0.40,  0.14,  0.77)
181:     torsion (  0.285,   0.476,  -0.291)  (  0.290,   0.487,  -0.286)  ( 0.15,  0.51,  0.15)
181:     oop     (  0.008,   0.016,  -0.005)  (  0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     ( 39.697,  46.371,  28.939)  ( 39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (-186.980, -202.167, -156.771)  (-186.928, -202.126, -156.738)  ( 0.03,  0.02,  0.02)
181:     bond    (-168.105, -212.764, -92.784)  (-168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,   0.134,  -0.061)  ( -0.706,   0.143,  -0.050)  ( 1.04,  0.12,  0.07)
181:     torsion ( -0.231,  -0.320,   0.267)  ( -0.226,  -0.310,   0.273)  ( 0.12,  0.32,  0.16)
181:     oop     ( -0.003,  -0.009,   0.007)  (  0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920,  10.792, -64.201)  (-17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (-298.242,  97.504,  27.266)  (-298.201,  97.544,  27.307)  ( 0.01,  0.04,  0.15)
181:     bond    (-270.205,  57.230,  74.008)  (-270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,   0.285,   0.145)  (  0.629,   0.299,   0.154)  ( 0.74,  0.40,  0.13)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gcq_0jm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gd4_0ws.sdf
177:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
177:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
177:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
177:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
177:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
177:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
177:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
177:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
177:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
177:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
177:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
177:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
177:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
177:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
177:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
177:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
177:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
177:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
177:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
177:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
177:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
177: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
177:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
177:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
177:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
177:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
177:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
177: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
177:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
177:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
177:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
177:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
177:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
177:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
177: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gdy_0x1.sdf
177:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
177:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
177:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
177:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
177:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
177:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
177:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
177:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
177: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
177:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
177:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
177:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
177:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
177:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
177: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
177:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
177:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
177:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
177:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
177:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
177: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
177:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
177:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
177:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ge4_0ke.sdf
177:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
177:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
177:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
177:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
177:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
177:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
177:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
177:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
177:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
177:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
177:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
177:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ge7_0k5.sdf
181:     torsion (  0.281,   0.285,  -0.498)  (  0.286,   0.290,  -0.487)  ( 0.14,  0.15,  0.53)
181:     oop     (  0.005,   0.008,  -0.016)  ( -0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     (-28.940,  39.697, -46.373)  (-28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       (186.884, -202.167, -156.771)  (186.928, -202.126, -156.738)  ( 0.02,  0.02,  0.02)
181:     bond    (168.051, -212.764, -92.784)  (168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,   0.134,  -0.061)  (  0.706,   0.143,  -0.050)  ( 0.99,  0.12,  0.07)
181:     torsion (  0.221,  -0.320,   0.267)  (  0.226,  -0.310,   0.273)  ( 0.11,  0.32,  0.16)
181:     oop     (  0.003,  -0.009,   0.007)  ( -0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918,  10.792, -64.201)  ( 17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       ( 27.266, 298.150, -97.594)  ( 27.307, 298.201, -97.544)  ( 0.15,  0.02,  0.05)
181:     bond    ( 74.008, 270.148, -57.277)  ( 74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,  -0.641,  -0.313)  (  0.154,  -0.629,  -0.299)  ( 0.13,  0.77,  0.44)
181:     torsion ( -0.498,  -0.291,  -0.295)  ( -0.487,  -0.286,  -0.290)  ( 0.53,  0.15,  0.16)
181:     oop     ( -0.016,  -0.005,  -0.008)  ( -0.007,   0.000,  -0.003)  ( 0.02,  0.00,  0.00)
181:     vdw     (-46.373,  28.939, -39.700)  (-46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       (-27.328, 298.150, -97.594)  (-27.307, 298.201, -97.544)  ( 0.08,  0.02,  0.05)
181:     bond    (-74.029, 270.148, -57.277)  (-74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,  -0.641,  -0.313)  ( -0.154,  -0.629,  -0.299)  ( 0.14,  0.77,  0.44)
181:     torsion (  0.476,  -0.291,  -0.295)  (  0.487,  -0.286,  -0.290)  ( 0.51,  0.15,  0.16)
181:     oop     (  0.016,  -0.005,  -0.008)  (  0.007,   0.000,  -0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371,  28.939, -39.700)  ( 46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       ( 27.266, -298.242, -97.594)  ( 27.307, -298.201, -97.544)  ( 0.15,  0.01,  0.05)
181:     bond    ( 74.008, -270.205, -57.277)  ( 74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,   0.617,  -0.313)  (  0.154,   0.629,  -0.299)  ( 0.13,  0.74,  0.44)
181:     torsion ( -0.498,   0.281,  -0.295)  ( -0.487,   0.286,  -0.290)  ( 0.53,  0.14,  0.16)
181:     oop     ( -0.016,   0.005,  -0.008)  ( -0.007,  -0.000,  -0.003)  ( 0.02,  0.00,  0.00)
181:     vdw     (-46.373, -28.940, -39.700)  (-46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       (-156.771, -186.980, 202.096)  (-156.738, -186.928, 202.126)  ( 0.02,  0.03,  0.02)
181:     bond    (-92.784, -168.105, 212.732)  (-92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,  -0.721,  -0.152)  ( -0.050,  -0.706,  -0.143)  ( 0.07,  1.04,  0.14)
181:     torsion (  0.267,  -0.231,   0.300)  (  0.273,  -0.226,   0.310)  ( 0.16,  0.12,  0.30)
181:     oop     (  0.007,  -0.003,   0.008)  (  0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201, -17.920, -10.793)  (-64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (-143.091,  -0.049, -281.337)  (-143.058,  -0.000, -281.292)  ( 0.02,  0.24,  0.02)
181:     bond    (-177.596,  -0.026, -223.783)  (-177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
181:     angle   ( -0.415,  -0.016,  -0.129)  ( -0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
181:     torsion ( -0.352,  -0.005,   0.101)  ( -0.338,  -0.000,   0.104)  ( 0.48,  0.00,  0.03)
181:     oop     ( -0.013,  -0.000,   0.006)  ( -0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
179:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
179:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
179:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
179:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ge8_0wu.sdf
177:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
177:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
177:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
177:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
177:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
177:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
177:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
177: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
177:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
177:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
177:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
177:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
177:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
177: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
177:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
177:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
177:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
177:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
177:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
177: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
177:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
177:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
177:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ge9_0l0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4geb_0ld.sdf
177:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
177: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
177:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
177:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
177:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
177:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
177:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
177:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
177:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
177:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
177:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
177:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
177:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
177:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
177: ok 30 # gradients 
177: ok 31 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gee_0wt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gev_umc.sdf
181:     vdw     ( 35.285,  -0.002, -57.533)  ( 35.285,   0.000, -57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       ( 97.504,  27.266, 298.150)  ( 97.544,  27.307, 298.201)  ( 0.04,  0.15,  0.02)
181:     bond    ( 57.230,  74.008, 270.148)  ( 57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,   0.145,  -0.641)  (  0.299,   0.154,  -0.629)  ( 0.40,  0.13,  0.77)
181:     torsion (  0.285,  -0.498,  -0.291)  (  0.290,  -0.487,  -0.286)  ( 0.15,  0.53,  0.15)
181:     oop     (  0.008,  -0.016,  -0.005)  (  0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     ( 39.697, -46.373,  28.939)  ( 39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (-186.980, 202.096, -156.771)  (-186.928, 202.126, -156.738)  ( 0.03,  0.02,  0.02)
181:     bond    (-168.105, 212.732, -92.784)  (-168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,  -0.152,  -0.061)  ( -0.706,  -0.143,  -0.050)  ( 1.04,  0.14,  0.07)
181:     torsion ( -0.231,   0.300,   0.267)  ( -0.226,   0.310,   0.273)  ( 0.12,  0.30,  0.16)
181:     oop     ( -0.003,   0.008,   0.007)  (  0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920, -10.793, -64.201)  (-17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       (-27.328, -298.242, -97.594)  (-27.307, -298.201, -97.544)  ( 0.08,  0.01,  0.05)
181:     bond    (-74.029, -270.205, -57.277)  (-74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,   0.617,  -0.313)  ( -0.154,   0.629,  -0.299)  ( 0.14,  0.74,  0.44)
181:     torsion (  0.476,   0.281,  -0.295)  (  0.487,   0.286,  -0.290)  ( 0.51,  0.14,  0.16)
181:     oop     (  0.016,   0.005,  -0.008)  (  0.007,  -0.000,  -0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371, -28.940, -39.700)  ( 46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (156.695, -186.980, 202.096)  (156.738, -186.928, 202.126)  ( 0.03,  0.03,  0.02)
181:     bond    ( 92.745, -168.105, 212.732)  ( 92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,  -0.721,  -0.152)  (  0.050,  -0.706,  -0.143)  ( 0.04,  1.04,  0.14)
181:     torsion ( -0.279,  -0.231,   0.300)  ( -0.273,  -0.226,   0.310)  ( 0.17,  0.12,  0.30)
181:     oop     ( -0.008,  -0.003,   0.008)  ( -0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199, -17.920, -10.793)  ( 64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (298.150,  97.504,  27.266)  (298.201,  97.544,  27.307)  ( 0.02,  0.04,  0.15)
181:     bond    (270.148,  57.230,  74.008)  (270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.641,   0.285,   0.145)  ( -0.629,   0.299,   0.154)  ( 0.77,  0.40,  0.13)
181:     torsion ( -0.291,   0.285,  -0.498)  ( -0.286,   0.290,  -0.487)  ( 0.15,  0.15,  0.53)
181:     oop     ( -0.005,   0.008,  -0.016)  (  0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     ( 28.939,  39.697, -46.373)  ( 28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       ( -0.049, 281.242, 143.041)  (  0.000, 281.292, 143.058)  ( 0.24,  0.02,  0.01)
181:     bond    ( -0.026, 223.722, 177.585)  (  0.000, 223.752, 177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,   0.102,   0.404)  (  0.000,   0.115,   0.410)  ( 0.03,  0.14,  0.23)
181:     torsion ( -0.005,  -0.107,   0.325)  (  0.000,  -0.104,   0.338)  ( 0.00,  0.03,  0.44)
181:     oop     ( -0.000,  -0.006,   0.012)  (  0.000,  -0.004,   0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002,  57.531, -35.285)  (  0.000,  57.532, -35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       (156.695, 186.884, 202.096)  (156.738, 186.928, 202.126)  ( 0.03,  0.02,  0.02)
177:  1       ( -0.255,  -0.617,   1.068)  ( -0.201,  -0.530,   0.886)  ( 1.38,  5.33, 17.03)
177:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
177:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
177:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
177:     torsion (  0.468,  -0.938,  -1.518)  (  0.468,  -0.938,  -1.518)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
177:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
177:  2       (  0.399,   1.062,  -2.385)  (  0.187,   0.693,  -1.476)  ( 8.42, 34.69, 38.11)
177:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
177:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
177:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
177:     torsion ( -0.041,   0.220,   0.015)  ( -0.041,   0.220,   0.016)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.254,   2.136,  -5.164)  (  1.034,   1.760,  -4.257)  (17.50, 17.63, 17.56)
177:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
177:  3       (  0.099,  -0.104,  -0.377)  (  0.100,  -0.101,  -0.376)  ( 0.01,  0.03,  0.02)
177:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
177:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
177:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.213,   0.132,   0.739)  ( -0.213,   0.132,   0.739)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  0.072,   0.361,  -0.277)  (  0.073,   0.362,  -0.276)  ( 0.01,  0.05,  0.04)
177:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
177:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.067,   0.385,  -0.305)  (  0.067,   0.385,  -0.305)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.048,   0.159,   0.077)  ( -0.047,   0.160,   0.080)  ( 0.00,  0.01,  0.02)
177:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.071,   0.501,   0.170)  ( -0.071,   0.501,   0.170)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.044,  -0.320,   0.515)  (  0.046,  -0.160,   0.153)  ( 0.39,  5.13, 18.69)
177:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
177:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gfd_0yb.sdf
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
179:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
179:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
179:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
179:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.145,   0.220,  -0.431)  (  0.145,   0.220,  -0.431)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
177:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
177:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
177:  7       ( -1.084,  -2.080,   4.678)  ( -0.929,  -1.820,   4.094)  (14.27, 12.52, 12.48)
177:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
177:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
177:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
177:     torsion ( -1.314,  -1.588,   4.757)  ( -1.314,  -1.588,   4.757)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.890,  -1.592,   3.617)  ( -0.742,  -1.338,   3.031)  (13.16, 15.96, 16.21)
177:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
177:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
177:  8       (  0.362,   0.876,  -1.744)  (  0.339,   0.818,  -1.626)  ( 0.81,  5.07,  6.74)
177:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
177:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.185,   0.569,  -1.322)  (  0.185,   0.569,  -1.322)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.183,   0.439,  -0.858)  (  0.158,   0.378,  -0.741)  ( 0.46,  2.64, 10.05)
177:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
177:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.244,   0.022,  -1.499)  (  0.767,   0.942,  -1.037)  (24.71,  1.98, 30.81)
177:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
177:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
177:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
177:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
177:     oop     ( -4.053,  -4.498,  -2.741)  ( -3.047,  -3.584,  -2.283)  (24.82, 20.32, 16.71)
177:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
177: 10       ( -2.185,  -5.140,  -3.398)  ( -2.240,  -4.992,  -3.264)  ( 2.50,  2.89,  3.97)
177:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
177:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
177:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
177:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.874,  -2.291,  -1.521)  ( -0.933,  -2.145,  -1.392)  ( 5.17,  6.34,  8.45)
177:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
177:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
177: 11       (  3.745,  17.929,   6.367)  (  4.378,  17.893,   6.474)  (16.89,  0.20,  1.69)
177:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
177:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
177:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
177:     torsion (  5.606,  14.261,  -6.736)  (  5.606,  14.261,  -6.736)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.916,   3.215,   0.391)  ( -1.291,   3.177,   0.494)  (32.66,  1.18,  4.02)
177:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gfg_0xf.sdf
177:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
177:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
177:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
177:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
177:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
177: 14       (  0.757,  -0.748,   0.385)  ( -3.436,  -5.579,  -1.228)  (317.23, 361.26, 62.00)
177:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
177:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
177:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
177:     torsion ( -1.040,  -7.523,   2.789)  ( -1.040,  -7.523,   2.789)  ( 0.01,  0.00,  0.00)
177:     oop     ( 13.584,  16.275,   6.445)  (  9.386,  11.441,   4.821)  (30.90, 29.70, 25.21)
177:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
177:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
177: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
177:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
177:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -2.859,  -3.548,  -1.151)  ( -0.202,  -0.378,  -0.176)  (92.93, 89.34, 84.72)
177:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
177:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
177:     torsion (  1.428,   2.859,   0.669)  (  1.428,   2.859,   0.669)  ( 0.00,  0.00,  0.00)
177:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
177:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
177:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
177: 17       (  0.002,   0.044,  -0.035)  (  0.007,   0.048,  -0.031)  ( 0.00,  0.02,  0.02)
177:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
177:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
177:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
177:     torsion ( -1.315,  -0.128,  -0.321)  ( -1.315,  -0.128,  -0.321)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gfn_suy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gfo_0x2.sdf
181:     bond    ( 92.745, 168.051, 212.732)  ( 92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,   0.692,  -0.152)  (  0.050,   0.706,  -0.143)  ( 0.04,  0.99,  0.14)
181:     torsion ( -0.279,   0.221,   0.300)  ( -0.273,   0.226,   0.310)  ( 0.17,  0.11,  0.30)
181:     oop     ( -0.008,   0.003,   0.008)  ( -0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199,  17.918, -10.793)  ( 64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       (-156.771, 186.884, 202.096)  (-156.738, 186.928, 202.126)  ( 0.02,  0.02,  0.02)
181:     bond    (-92.784, 168.051, 212.732)  (-92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,   0.692,  -0.152)  ( -0.050,   0.706,  -0.143)  ( 0.07,  0.99,  0.14)
181:     torsion (  0.267,   0.221,   0.300)  (  0.273,   0.226,   0.310)  ( 0.16,  0.11,  0.30)
181:     oop     (  0.007,   0.003,   0.008)  (  0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201,  17.918, -10.793)  (-64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       (186.884, 202.096, -156.771)  (186.928, 202.126, -156.738)  ( 0.02,  0.02,  0.02)
181:     bond    (168.051, 212.732, -92.784)  (168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,  -0.152,  -0.061)  (  0.706,  -0.143,  -0.050)  ( 0.99,  0.14,  0.07)
181:     torsion (  0.221,   0.300,   0.267)  (  0.226,   0.310,   0.273)  ( 0.11,  0.30,  0.16)
181:     oop     (  0.003,   0.008,   0.007)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918, -10.793, -64.201)  ( 17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (-298.242, -97.594,  27.266)  (-298.201, -97.544,  27.307)  ( 0.01,  0.05,  0.15)
181:     bond    (-270.205, -57.277,  74.008)  (-270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,  -0.313,   0.145)  (  0.629,  -0.299,   0.154)  ( 0.74,  0.44,  0.13)
181:     torsion (  0.281,  -0.295,  -0.498)  (  0.286,  -0.290,  -0.487)  ( 0.14,  0.16,  0.53)
181:     oop     (  0.005,  -0.008,  -0.016)  ( -0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     (-28.940, -39.700, -46.373)  (-28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       (298.150, -97.594,  27.266)  (298.201, -97.544,  27.307)  ( 0.02,  0.05,  0.15)
181:     bond    (270.148, -57.277,  74.008)  (270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.641,  -0.313,   0.145)  ( -0.629,  -0.299,   0.154)  ( 0.77,  0.44,  0.13)
181:     torsion ( -0.291,  -0.295,  -0.498)  ( -0.286,  -0.290,  -0.487)  ( 0.15,  0.16,  0.53)
181:     oop     ( -0.005,  -0.008,  -0.016)  (  0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     ( 28.939, -39.700, -46.373)  ( 28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       ( -0.049, -281.337, 143.041)  ( -0.000, -281.292, 143.058)  ( 0.24,  0.02,  0.01)
181:     bond    ( -0.026, -223.783, 177.585)  (  0.000, -223.752, 177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,  -0.129,   0.404)  (  0.000,  -0.115,   0.410)  ( 0.03,  0.17,  0.23)
181:     torsion ( -0.005,   0.101,   0.325)  ( -0.000,   0.104,   0.338)  ( 0.00,  0.03,  0.44)
181:     oop     ( -0.000,   0.006,   0.012)  ( -0.000,   0.004,   0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002, -57.533, -35.285)  (  0.000, -57.532, -35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 18 # gradients 
181: ok 19 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (187.442, -80.908,  -3.672)  (187.494, -80.846,  -3.733)  ( 0.03,  0.08,  1.66)
177:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
177:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
177: 18       (  1.407,  -7.885,  -2.678)  (  1.645,  -7.234,  -2.828)  (16.96,  8.25,  5.60)
177:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
177:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
177:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
177:     torsion (  2.895,  -5.723,   2.052)  (  2.895,  -5.723,   2.052)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.124,  -3.995,   0.695)  ( -0.890,  -3.350,   0.539)  (20.81, 16.16, 10.85)
177:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
177:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
177: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
177:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
177:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
177:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
177:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
177:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
177:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
177:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
177:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( -0.137,  -0.079,   0.370)  ( -1.098,  -0.257,   1.165)  (13.13,  1.41, 29.42)
177:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
177:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
177:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
177:     torsion ( -2.717,   0.003,   3.882)  ( -2.716,   0.003,   3.882)  ( 0.00,  0.00,  0.00)
177:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
177:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
177:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.007,  -0.027,   0.080)  ( -0.006,  -0.025,   0.082)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
177:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
177:     torsion ( -2.347,  -0.316,  -0.016)  ( -2.347,  -0.316,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
177:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
181:     bond    (  9.662,  34.813,  -0.219)  (  9.689,  34.853,  -0.218)  ( 0.28,  0.11,  0.01)
181:     angle   (232.233, -14.543,   3.991)  (232.257, -14.524,   3.990)  ( 0.01,  0.13,  0.02)
181:     torsion (  0.100,   0.118,  -8.823)  (  0.100,   0.118,  -8.791)  ( 0.00,  0.00,  0.36)
181:     oop     ( -0.001,  -0.003,   0.894)  ( -0.002,  -0.003,   0.802)  ( 0.00,  0.00,  8.27)
181:     vdw     (-54.552, -101.293,   0.486)  (-54.551, -101.291,   0.485)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-396.877, -26.391,  23.123)  (-396.817, -26.325,  23.254)  ( 0.01,  0.25,  0.57)
181:     bond    (-22.671, -12.760,  -0.575)  (-22.641, -12.714,  -0.575)  ( 0.13,  0.36,  0.02)
181:     angle   (-380.611,  45.357,   7.464)  (-380.585,  45.376,   7.462)  ( 0.01,  0.04,  0.02)
181:     torsion (  0.072,  -0.068,  18.770)  (  0.072,  -0.068,  18.797)  ( 0.00,  0.00,  0.14)
181:     oop     ( -0.004,   0.005,  -0.395)  ( -0.003,   0.004,  -0.290)  ( 0.00,  0.00,  4.18)
181:     vdw     (  6.338, -58.925,  -2.140)  (  6.339, -58.923,  -2.140)  ( 0.02,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (197.838, -192.492,  -5.916)  (197.900, -192.435,  -5.979)  ( 0.03,  0.03,  1.07)
181:     bond    ( 83.338, -37.167,  -0.934)  ( 83.375, -37.127,  -0.933)  ( 0.04,  0.11,  0.03)
181:     angle   ( 68.449, -156.536,  -1.508)  ( 68.474, -156.520,  -1.506)  ( 0.04,  0.01,  0.11)
181:     torsion (  0.111,   0.566,  -3.763)  (  0.111,   0.566,  -3.744)  ( 0.00,  0.00,  0.52)
181:     oop     (  0.003,   0.002,   0.314)  (  0.002,   0.002,   0.229)  ( 0.00,  0.00,  2.66)
181:     vdw     ( 45.937,   0.643,  -0.025)  ( 45.938,   0.643,  -0.025)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (131.699, 142.709,  -5.048)  (131.773, 142.790,  -4.744)  ( 0.06,  0.06,  6.03)
181:     bond    (-39.328, -45.304,   0.742)  (-39.285, -45.259,   0.742)  ( 0.11,  0.10,  0.03)
181:     angle   (108.956, 100.526,  -1.495)  (108.984, 100.556,  -1.495)  ( 0.03,  0.03,  0.00)
181:     torsion ( -0.239,   0.068,   2.388)  ( -0.239,   0.068,   2.407)  ( 0.00,  0.00,  0.80)
181:     oop     ( -0.011,  -0.015,  -1.688)  ( -0.009,  -0.013,  -1.402)  ( 0.00,  0.00, 16.93)
181:     vdw     ( 62.322,  87.435,  -4.995)  ( 62.324,  87.438,  -4.995)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 79.288,  88.861,  -5.940)  ( 79.309,  88.889,  -6.055)  ( 0.03,  0.03,  1.93)
181:     bond    ( 34.251,  59.094,  -0.793)  ( 34.260,  59.119,  -0.793)  ( 0.02,  0.04,  0.02)
181:     angle   (-11.405,   6.603,   0.172)  (-11.396,   6.606,   0.172)  ( 0.08,  0.05,  0.00)
181:     torsion (  0.029,   0.039,   4.126)  (  0.029,   0.039,   4.129)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.005,   0.007,   0.781)  (  0.005,   0.006,   0.663)  ( 0.00,  0.00,  9.23)
181:     vdw     ( 56.408,  23.118, -10.227)  ( 56.411,  23.119, -10.227)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-182.051, 166.429,  -7.813)  (-181.992, 166.491,  -7.960)  ( 0.03,  0.04,  1.88)
181:     bond    (-39.410,  95.923,  -0.988)  (-39.370,  95.959,  -0.988)  ( 0.10,  0.04,  0.02)
181:     angle   (-109.318,  15.492,   3.850)  (-109.301,  15.517,   3.853)  ( 0.02,  0.16,  0.06)
181:     torsion ( -0.591,  -0.333, -11.745)  ( -0.591,  -0.333, -11.729)  ( 0.00,  0.00,  0.13)
181:     oop     (  0.000,   0.002,   1.006)  (  0.000,   0.002,   0.841)  ( 0.00,  0.00, 16.39)
181:     vdw     (-32.732,  55.345,   0.063)  (-32.732,  55.346,   0.063)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 82.852, -217.208, -27.768)  ( 82.921, -217.147, -27.253)  ( 0.08,  0.03,  1.85)
181:     bond    (103.129, -71.073,   0.420)  (103.176, -71.040,   0.419)  ( 0.05,  0.05,  0.01)
181:     angle   ( 14.800, -138.621,  -2.387)  ( 14.823, -138.595,  -2.387)  ( 0.16,  0.02,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gg5_0j3.sdf
177:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
177:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
177:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
177:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
177: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
177:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
177:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
177:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
177:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
177:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
177:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
177:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
177:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
177:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
177:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
177:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
177:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.228,  -0.269, -19.945)  (  0.228,  -0.269, -19.923)  ( 0.00,  0.00,  0.11)
181:     oop     (  0.013,   0.003,  -3.052)  (  0.011,   0.003,  -2.558)  ( 0.00,  0.00, 16.19)
181:     vdw     (-35.317,  -7.247,  -2.804)  (-35.316,  -7.246,  -2.804)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-107.292, -13.736,  -1.515)  (-107.256, -13.723,  -1.763)  ( 0.03,  0.09, 16.41)
181:     bond    (-79.086,   1.050,  -0.525)  (-79.052,   1.050,  -0.525)  ( 0.04,  0.03,  0.02)
181:     angle   (  0.265,  19.773,  -0.294)  (  0.265,  19.784,  -0.294)  ( 0.00,  0.06,  0.01)
181:     torsion ( -0.008,   0.006,   1.224)  ( -0.008,   0.006,   1.228)  ( 0.00,  0.00,  0.33)
181:     oop     ( -0.009,  -0.002,   1.346)  ( -0.007,  -0.001,   1.094)  ( 0.00,  0.00, 18.72)
181:     vdw     (-28.454, -34.564,  -3.267)  (-28.453, -34.562,  -3.267)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-172.086,  17.247, -12.385)  (-172.027,  17.299, -12.279)  ( 0.03,  0.30,  0.86)
181:     bond    (-38.220, -32.802,  -1.579)  (-38.178, -32.765,  -1.579)  ( 0.11,  0.11,  0.04)
181:     angle   (-138.590,  57.157,   0.565)  (-138.571,  57.174,   0.567)  ( 0.01,  0.03,  0.11)
181:     torsion (  0.161,   0.048, -10.926)  (  0.161,   0.048, -10.901)  ( 0.00,  0.00,  0.23)
181:     oop     (  0.004,   0.008,  -0.407)  (  0.003,   0.007,  -0.328)  ( 0.00,  0.00,  3.21)
181:     vdw     (  4.559,  -7.165,  -0.038)  (  4.559,  -7.165,  -0.038)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (169.232,  18.020,   5.417)  (169.270,  18.061,   5.349)  ( 0.02,  0.22,  1.25)
181:     bond    (-55.806,   6.948,   0.149)  (-55.784,   6.982,   0.149)  ( 0.04,  0.49,  0.01)
181:     angle   (244.355,  31.756,  -3.708)  (244.371,  31.761,  -3.707)  ( 0.01,  0.02,  0.04)
181:     torsion (  0.150,  -0.110,   9.934)  (  0.150,  -0.110,   9.943)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.003,  -0.006,   0.421)  (  0.002,  -0.005,   0.343)  ( 0.00,  0.00,  3.31)
181:     vdw     (-19.470, -20.567,  -1.378)  (-19.470, -20.567,  -1.379)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-12.606,  65.636,  -0.581)  (-12.553,  65.688,  -0.517)  ( 0.42,  0.08,  3.76)
181:     bond    (  5.458,  28.969,   0.248)  (  5.496,  29.002,   0.248)  ( 0.70,  0.11,  0.01)
181:     angle   (-33.346,  33.342,   0.302)  (-33.332,  33.362,   0.303)  ( 0.04,  0.06,  0.03)
181:     torsion ( -0.008,   0.046,  -1.233)  ( -0.008,   0.046,  -1.216)  ( 0.00,  0.00,  1.42)
181:     oop     ( -0.001,   0.004,  -0.208)  ( -0.001,   0.003,  -0.162)  ( 0.00,  0.00,  0.95)
181:     vdw     ( 15.292,   3.276,   0.310)  ( 15.292,   3.276,   0.310)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (121.758,  22.361,  13.948)  (121.796,  22.396,  13.907)  ( 0.03,  0.16,  0.29)
181:     bond    (132.390,  45.819,   4.435)  (132.415,  45.839,   4.454)  ( 0.02,  0.04,  0.41)
181:     angle   ( -2.089,  -2.617,  -0.059)  ( -2.077,  -2.605,  -0.050)  ( 0.56,  0.48,  0.05)
181:     torsion ( -0.309,   0.397,   9.614)  ( -0.309,   0.399,   9.619)  ( 0.01,  0.06,  0.06)
181:     oop     ( -0.003,  -0.005,   0.279)  ( -0.002,  -0.004,   0.205)  ( 0.00,  0.00,  2.04)
181:     vdw     ( -8.231, -21.233,  -0.321)  ( -8.231, -21.233,  -0.321)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-99.503, -29.622,   1.878)  (-99.465, -29.589,   1.866)  ( 0.04,  0.11,  0.61)
181:     bond    (-143.684,  -2.026,   1.231)  (-143.658,  -2.008,   1.249)  ( 0.02,  0.90,  1.49)
181:     angle   (  5.465,   2.016,  -2.523)  (  5.477,   2.029,  -2.514)  ( 0.21,  0.64,  0.34)
181:     torsion (  0.033,  -0.108,   2.900)  (  0.033,  -0.108,   2.903)  ( 0.00,  0.00,  0.10)
181:     oop     (  0.003,   0.000,   0.231)  (  0.002,   0.000,   0.189)  ( 0.00,  0.00,  0.95)
181:     vdw     ( 38.681, -29.504,   0.040)  ( 38.682, -29.503,   0.039)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gg7_0j8.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 37.582, -74.411,   1.587)  ( 37.616, -74.375,   1.573)  ( 0.09,  0.05,  0.86)
181:     bond    ( 71.123, -130.243,   0.491)  ( 71.143, -130.219,   0.509)  ( 0.03,  0.02,  0.90)
181:     angle   ( -1.091,   8.131,  -4.336)  ( -1.079,   8.143,  -4.327)  ( 1.15,  0.15,  0.20)
181:     torsion (  0.265,   0.210,   5.207)  (  0.264,   0.209,   5.209)  ( 0.02,  0.00,  0.03)
181:     oop     ( -0.001,   0.003,   0.268)  ( -0.001,   0.002,   0.226)  ( 0.00,  0.00,  1.12)
181:     vdw     (-32.714,  47.488,  -0.043)  (-32.712,  47.489,  -0.043)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (  3.920,  23.932,   2.654)  (  3.926,  23.948,   2.615)  ( 0.15,  0.07,  1.49)
181:     bond    ( -0.122,  26.490,   0.583)  ( -0.122,  26.505,   0.584)  ( 0.00,  0.06,  0.01)
181:     angle   ( -1.585,   0.003,  -0.446)  ( -1.579,   0.003,  -0.446)  ( 0.35,  0.00,  0.01)
181:     torsion (  0.009,  -0.051,   2.319)  (  0.009,  -0.051,   2.323)  ( 0.00,  0.00,  0.18)
181:     oop     (  0.000,  -0.004,   0.190)  (  0.000,  -0.003,   0.147)  ( 0.00,  0.00,  0.83)
181:     vdw     (  5.617,  -2.505,   0.007)  (  5.617,  -2.505,   0.007)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-12.966, -57.351,   0.642)  (-12.962, -57.337,   0.645)  ( 0.03,  0.02,  0.16)
181:     bond    ( -0.882, -53.411,  -2.255)  ( -0.883, -53.397,  -2.256)  ( 0.02,  0.03,  0.01)
181:     angle   (  3.775,  -0.050,  -0.306)  (  3.779,  -0.050,  -0.304)  ( 0.10,  0.00,  0.06)
181:     torsion ( -0.013,  -0.150,   3.548)  ( -0.013,  -0.150,   3.549)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-15.846,  -3.741,  -0.345)  (-15.846,  -3.741,  -0.345)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-29.773,  13.507,  42.731)  (-29.768,  13.511,  42.741)  ( 0.02,  0.03,  0.02)
181:     bond    (-23.962,  15.581,  42.293)  (-23.959,  15.583,  42.302)  ( 0.01,  0.01,  0.02)
181:     angle   ( -0.566,  -0.453,  -0.154)  ( -0.563,  -0.450,  -0.153)  ( 0.15,  0.10,  0.01)
181:     torsion ( -0.955,   2.888,  -1.605)  ( -0.955,   2.888,  -1.605)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.291,  -4.509,   2.197)  ( -4.291,  -4.509,   2.197)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-28.873,  10.784, -48.345)  (-28.867,  10.788, -48.335)  ( 0.02,  0.04,  0.02)
181:     bond    (-24.956,  20.128, -43.024)  (-24.953,  20.130, -43.016)  ( 0.01,  0.01,  0.02)
181:     angle   (  0.068,  -0.407,  -0.231)  (  0.070,  -0.404,  -0.230)  ( 0.02,  0.09,  0.02)
181:     torsion (  1.119,  -3.172,  -2.133)  (  1.119,  -3.171,  -2.133)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.103,  -5.766,  -2.956)  ( -5.103,  -5.766,  -2.956)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 23.298,  35.268, -45.037)  ( 23.302,  35.270, -45.025)  ( 0.02,  0.01,  0.03)
181:     bond    ( 17.270,  13.747, -49.394)  ( 17.271,  13.748, -49.382)  ( 0.01,  0.00,  0.02)
181:     angle   (  0.687,  -0.016,   0.237)  (  0.690,  -0.014,   0.237)  ( 0.23,  0.00,  0.01)
181:     torsion ( -0.153,  23.491,   6.486)  ( -0.153,  23.491,   6.486)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.494,  -1.954,  -2.366)  (  5.494,  -1.954,  -2.366)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 49.465, -47.655,  -7.150)  ( 49.470, -47.643,  -7.148)  ( 0.01,  0.03,  0.03)
181:     bond    ( 19.007, -49.046,  12.655)  ( 19.008, -49.035,  12.656)  ( 0.01,  0.02,  0.00)
179:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
179:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
179:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
179:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
179:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
179:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
179:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gg9_0ww.sdf
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
177:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
177:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
177:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
177:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
177:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
177: 31       (  0.125,   0.139,   0.019)  (  0.600,   0.242,  -0.362)  ( 5.95,  1.43,  0.73)
177:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
177:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.247,   0.012,  -0.130)  (  0.247,   0.012,  -0.130)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
177:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
177:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
177: ok 32 # gradients 
177: ok 33 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gh0_eis.sdf
177:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
177:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
177:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
177:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
177:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
177:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
177:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
177:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
177:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
177:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
177:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
177:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
177:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
177:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
177:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
177:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
177:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
177:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
177:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
177:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
177:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
177:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
177:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
177:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
177:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
181:     angle   ( -5.104,  -1.936,   0.159)  ( -5.101,  -1.936,   0.161)  ( 0.06,  0.03,  0.03)
181:     torsion ( -0.199,  -6.185, -23.664)  ( -0.199,  -6.185, -23.664)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 35.760,   9.512,   3.699)  ( 35.761,   9.512,   3.699)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 39.119,  10.672,  60.557)  ( 39.124,  10.680,  60.564)  ( 0.01,  0.07,  0.01)
181:     bond    ( 18.322,  36.440,  36.440)  ( 18.324,  36.446,  36.446)  ( 0.01,  0.02,  0.02)
181:     angle   ( -1.098,   0.558,  -0.010)  ( -1.095,   0.559,  -0.009)  ( 0.30,  0.07,  0.00)
181:     torsion (  0.352, -17.349,  17.172)  (  0.352, -17.349,  17.172)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 21.543,  -8.977,   6.954)  ( 21.543,  -8.977,   6.954)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-35.374,  34.391,  58.122)  (-35.364,  34.395,  58.128)  ( 0.03,  0.01,  0.01)
181:     bond    (-43.660,  -2.568,  33.124)  (-43.652,  -2.568,  33.129)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.091,  -2.152,  -0.047)  (  0.092,  -2.149,  -0.046)  ( 0.01,  0.16,  0.01)
181:     torsion ( 11.893,   6.719,  16.191)  ( 11.893,   6.719,  16.191)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.697,  32.392,   8.854)  ( -3.697,  32.393,   8.854)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-10.234,  81.938,   8.082)  (-10.225,  81.948,   8.084)  ( 0.08,  0.01,  0.03)
181:     bond    ( 33.600,  40.238,  17.334)  ( 33.605,  40.245,  17.335)  ( 0.01,  0.02,  0.01)
181:     angle   (  5.938,  -5.064,   0.237)  (  5.940,  -5.063,   0.239)  ( 0.04,  0.03,  0.04)
181:     torsion (  6.440,   3.280, -20.101)  (  6.440,   3.280, -20.101)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-56.212,  43.484,  10.612)  (-56.211,  43.485,  10.612)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-36.608,   7.264, -47.950)  (-36.605,   7.267, -47.938)  ( 0.01,  0.05,  0.03)
181:     bond    (-16.227,  10.670, -49.969)  (-16.226,  10.670, -49.957)  ( 0.01,  0.00,  0.02)
181:     angle   ( -0.546,   1.436,   0.484)  ( -0.544,   1.439,   0.484)  ( 0.11,  0.22,  0.02)
181:     torsion (-18.485, -10.083,   3.851)  (-18.486, -10.083,   3.851)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.349,   5.242,  -2.315)  ( -1.349,   5.242,  -2.315)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 20 # gradients 
181: ok 21 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-153.373, -69.971,  55.658)  (-153.332, -69.935,  55.694)  ( 0.03,  0.05,  0.07)
181:     bond    (-118.434, -27.963, 117.758)  (-118.409, -27.941, 117.778)  ( 0.02,  0.08,  0.02)
181:     angle   ( -7.105, -15.058, -47.730)  ( -7.090, -15.044, -47.715)  ( 0.21,  0.09,  0.03)
181:     torsion (-10.090,  -9.856, -13.607)  (-10.088,  -9.856, -13.605)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.745, -17.094,  -0.764)  (-17.744, -17.094,  -0.764)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( -6.942,  13.081,  20.181)  ( -6.908,  13.113,  20.212)  ( 0.49,  0.24,  0.15)
181:     bond    ( 93.283, -23.271, -11.981)  ( 93.302, -23.251, -11.964)  ( 0.02,  0.09,  0.15)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gh1_0wx.sdf
177:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
177:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
177:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
177:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
177:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
177:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
177:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
177:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
177:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
177:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
177:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
177:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
177:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
177:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
177:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
177: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
177:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
177:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
177: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
177:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
177:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
177:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
177: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gh2_hk0.sdf
177:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
177:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
177:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
177:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
177: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
177:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
177:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
177:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
177: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
177:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
177:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
177:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
177:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
177:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
177:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
177:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
177:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
177: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
177:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
177:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
177:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
177:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
177:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
179: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
179:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
179:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
179:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
179:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
179:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
179:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
179:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
179:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
179:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
179:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
179:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
179:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gh3_0ev.sdf
177:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
177:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
177:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
177:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
177:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
177:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
177:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
177:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
177:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
177:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
177:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
177: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
177:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
177:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
177:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
177:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
177: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
177:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
177:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
177:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
177:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
181:     angle   (-28.134,  11.848,  54.240)  (-28.122,  11.859,  54.251)  ( 0.04,  0.09,  0.02)
181:     torsion (-32.898,  14.666,   8.358)  (-32.896,  14.667,   8.361)  ( 0.00,  0.01,  0.03)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-39.193,   9.837, -30.436)  (-39.192,   9.837, -30.436)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 22.168,   8.186, -22.647)  ( 22.201,   8.219, -22.615)  ( 0.15,  0.41,  0.14)
181:     bond    ( 34.130, -72.157, 129.290)  ( 34.151, -72.139, 129.309)  ( 0.06,  0.03,  0.01)
181:     angle   ( -1.163,  40.049, -91.327)  ( -1.152,  40.060, -91.316)  ( 0.98,  0.03,  0.01)
181:     torsion (  9.461,  19.306, -33.473)  (  9.462,  19.309, -33.471)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-20.260,  20.988, -27.137)  (-20.259,  20.989, -27.136)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 19.565, -52.815,  20.846)  ( 19.599, -52.756,  21.009)  ( 0.17,  0.11,  0.78)
181:     bond    ( 48.823,  84.861, -70.006)  ( 48.843,  84.880, -69.987)  ( 0.04,  0.02,  0.03)
181:     angle   ( -5.522, -77.195,  86.084)  ( -5.510, -77.183,  86.093)  ( 0.22,  0.02,  0.01)
181:     torsion (-12.453, -18.900,  -6.728)  (-12.453, -18.900,  -6.726)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.003,  -0.171,  -0.864)  ( -0.003,  -0.144,  -0.731)  ( 0.00,  0.46, 11.49)
181:     vdw     (-11.280, -41.409,  12.360)  (-11.279, -41.408,  12.360)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-74.504,  88.704, -49.250)  (-74.460,  88.676, -49.561)  ( 0.06,  0.03,  0.63)
181:     bond    (-49.325,  74.332,  -9.055)  (-49.296,  74.356,  -9.054)  ( 0.06,  0.03,  0.02)
181:     angle   (-37.756,  68.135, -81.092)  (-37.744,  68.149, -81.087)  ( 0.03,  0.02,  0.01)
181:     torsion (  9.057,  -4.154,  31.762)  (  9.058,  -4.154,  31.771)  ( 0.00,  0.02,  0.03)
181:     oop     ( -0.002,   0.412,   2.075)  ( -0.002,   0.345,   1.748)  ( 0.00,  2.74, 15.78)
181:     vdw     (  3.522, -50.020,   7.060)  (  3.523, -50.020,   7.060)  ( 0.04,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 33.890, -79.244,  24.868)  ( 33.942, -79.224,  24.727)  ( 0.15,  0.03,  0.56)
181:     bond    ( -0.246,  24.304,  -2.518)  ( -0.216,  24.326,  -2.517)  ( 0.72,  0.09,  0.05)
181:     angle   ( 17.675, -45.694,  20.609)  ( 17.684, -45.680,  20.610)  ( 0.05,  0.03,  0.01)
181:     torsion ( -2.010,  -7.625, -12.160)  ( -2.010,  -7.624, -12.145)  ( 0.01,  0.01,  0.13)
181:     oop     ( -0.087,   0.129,   1.010)  ( -0.074,   0.111,   0.851)  ( 0.12,  0.23, 15.68)
181:     vdw     ( 18.558, -50.358,  17.928)  ( 18.559, -50.356,  17.928)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( -6.479,  29.201, -24.347)  ( -6.453,  29.250, -24.212)  ( 0.41,  0.17,  0.56)
181:     bond    (-86.066,  82.942,   2.549)  (-86.047,  82.962,   2.567)  ( 0.02,  0.02,  0.71)
181:     angle   ( 65.451, -10.781, -20.767)  ( 65.463, -10.769, -20.759)  ( 0.02,  0.11,  0.04)
181:     torsion (  4.651, -11.128, -21.212)  (  4.652, -11.128, -21.208)  ( 0.02,  0.01,  0.02)
181:     oop     (  0.039,  -0.090,  -0.588)  (  0.033,  -0.075,  -0.483)  ( 0.03,  0.14,  6.18)
181:     vdw     (  9.445, -31.740,  15.670)  (  9.446, -31.740,  15.671)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-50.352, -14.112,  19.394)  (-50.316, -14.075,  19.428)  ( 0.07,  0.26,  0.18)
181:     bond    ( -4.083, -21.222, -134.545)  ( -4.063, -21.202, -134.526)  ( 0.49,  0.09,  0.01)
181:     angle   (-64.949,  37.155, 145.170)  (-64.935,  37.168, 145.182)  ( 0.02,  0.04,  0.01)
181:     torsion (-11.505,  -5.383,   9.994)  (-11.504,  -5.381,   9.996)  ( 0.01,  0.04,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gh6_luo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ghi_0x3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gi1_16y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gi4_0ex.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gi7_0jr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gih_0x5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gii_0x6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gim_psu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4giu_636.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4giy_0wy.sdf
177:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
177:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
177:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
177:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
177:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
177:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
177:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
177:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
177:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 34 # gradients 
177: ok 35 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gj2_0xh.sdf
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 30.185, -24.662,  -1.225)  ( 30.186, -24.661,  -1.224)  ( 0.00,  0.00,  0.02)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       ( 19.680,  49.353,  29.199)  ( 19.719,  49.388,  29.233)  ( 0.20,  0.07,  0.12)
181:     bond    (-47.975,  73.579,  64.884)  (-47.954,  73.599,  64.903)  ( 0.05,  0.03,  0.03)
181:     angle   ( 40.405,  20.098, -37.865)  ( 40.420,  20.112, -37.852)  ( 0.04,  0.07,  0.03)
181:     torsion ( -6.307, -21.411, -22.443)  ( -6.305, -21.409, -22.440)  ( 0.03,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 33.556, -22.914,  24.622)  ( 33.557, -22.913,  24.623)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 15.692,   0.042, -50.217)  ( 15.721,   0.074, -50.188)  ( 0.19,  0.14,  0.06)
181:     bond    ( 17.964, 117.602, -67.197)  ( 17.982, 117.622, -67.178)  ( 0.10,  0.02,  0.03)
181:     angle   (-40.242, -75.341,  51.453)  (-40.231, -75.329,  51.464)  ( 0.03,  0.02,  0.02)
181:     torsion (  5.566, -24.566, -27.007)  (  5.566, -24.565, -27.008)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 32.404, -17.654,  -7.466)  ( 32.405, -17.653,  -7.466)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-21.940,   1.245, -20.594)  (-21.909,   1.274, -20.565)  ( 0.15,  2.34,  0.14)
181:     bond    (-151.842, -12.958, -56.391)  (-151.822, -12.939, -56.372)  ( 0.01,  0.14,  0.03)
181:     angle   (120.348,  37.858,  32.910)  (120.361,  37.868,  32.920)  ( 0.01,  0.03,  0.03)
181:     torsion ( -1.948,   4.264,   6.229)  ( -1.949,   4.263,   6.228)  ( 0.03,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.501, -27.918,  -3.341)  ( 11.501, -27.917,  -3.341)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-34.430,  10.516,  70.214)  (-34.397,  10.554,  70.245)  ( 0.10,  0.36,  0.04)
181:     bond    (-90.912, 117.802, 125.753)  (-90.893, 117.824, 125.773)  ( 0.02,  0.02,  0.02)
181:     angle   ( 31.272, -134.270, -78.723)  ( 31.285, -134.256, -78.712)  ( 0.04,  0.01,  0.01)
181:     torsion ( 10.256,  30.515,   9.567)  ( 10.257,  30.516,   9.568)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.953,  -3.531,  13.616)  ( 14.954,  -3.530,  13.617)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (  1.059,  33.761, -43.609)  (  1.093,  33.795, -43.577)  ( 3.21,  0.10,  0.07)
181:     bond    (132.862, -184.020, -37.633)  (132.882, -184.000, -37.613)  ( 0.02,  0.01,  0.05)
181:     angle   (-133.412, 190.940,  17.812)  (-133.399, 190.953,  17.823)  ( 0.01,  0.01,  0.06)
181:     torsion ( -3.930,  23.835, -14.652)  ( -3.929,  23.837, -14.651)  ( 0.02,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.539,   3.005,  -9.136)  (  5.539,   3.005,  -9.136)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( -9.168,  -5.874,  -3.147)  ( -9.136,  -5.841,  -3.117)  ( 0.35,  0.56,  0.96)
181:     bond    (-159.132, 160.549, -91.198)  (-159.112, 160.569, -91.179)  ( 0.01,  0.01,  0.02)
181:     angle   (137.891, -183.388,  64.718)  (137.902, -183.377,  64.727)  ( 0.01,  0.01,  0.01)
181:     torsion (  6.365,   0.090,  14.498)  (  6.366,   0.091,  14.500)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.708,  16.876,   8.835)  (  5.708,  16.877,   8.835)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gj3_0xp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gj5_0lr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gj6_0ls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gj7_0lt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gj8_0lu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gj9_0m2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gja_0m3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gjb_0me.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gjc_0mj.sdf
177:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
177:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
177:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
177:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
177:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
177:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
177:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
177:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
177:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
177:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
177:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
177:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
177:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
177:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
177:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
177:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
177:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
177:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
177:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
177:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
177:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
177:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
177:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
177:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
177:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
177:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
177:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
177:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
177:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
177:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
177:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
177:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
181: 15       (-22.747,  -7.527,  -2.453)  (-22.715,  -7.494,  -2.424)  ( 0.14,  0.44,  1.22)
181:     bond    ( 76.533, -190.531,  43.415)  ( 76.553, -190.512,  43.434)  ( 0.03,  0.01,  0.04)
181:     angle   (-103.016, 195.873, -65.251)  (-103.005, 195.885, -65.243)  ( 0.01,  0.01,  0.01)
181:     torsion ( -9.947,   8.312,  -0.300)  ( -9.946,   8.313,  -0.297)  ( 0.01,  0.01,  0.06)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 13.682, -21.181,  19.682)  ( 13.683, -21.180,  19.683)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( -8.745,   0.117,  51.246)  ( -8.712,   0.149,  51.276)  ( 0.37,  0.37,  0.06)
181:     bond    (-75.225, 151.138, -61.792)  (-75.205, 151.157, -61.773)  ( 0.03,  0.01,  0.03)
181:     angle   ( 62.075, -144.854,  68.861)  ( 62.087, -144.843,  68.870)  ( 0.02,  0.01,  0.01)
181:     torsion (  7.495,  -5.083,  45.088)  (  7.495,  -5.082,  45.090)  ( 0.00,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.090,  -1.084,  -0.911)  ( -3.090,  -1.084,  -0.911)  ( 0.01,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 25.523,   1.799,  -0.167)  ( 25.556,   1.834,  -0.136)  ( 0.13,  1.97,  0.52)
181:     bond    (-18.136, -82.738, 108.231)  (-18.117, -82.716, 108.249)  ( 0.11,  0.03,  0.02)
181:     angle   ( 17.917,  69.072, -92.513)  ( 17.930,  69.084, -92.502)  ( 0.07,  0.02,  0.01)
181:     torsion ( 17.104,  12.259, -16.637)  ( 17.105,  12.260, -16.635)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.639,   3.206,   0.752)  (  8.639,   3.206,   0.752)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( -1.860, -10.840,  31.164)  ( -1.831, -10.812,  31.192)  ( 1.59,  0.26,  0.09)
181:     bond    ( 59.323, -67.341, -22.835)  ( 59.341, -67.322, -22.816)  ( 0.03,  0.03,  0.08)
181:     angle   (-73.315,  25.387,  34.174)  (-73.305,  25.396,  34.183)  ( 0.01,  0.03,  0.03)
181:     torsion ( 17.309,   4.534,  25.099)  ( 17.310,   4.534,  25.101)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.178,  26.580,  -5.275)  ( -5.177,  26.580,  -5.275)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-12.415, -17.062, -31.821)  (-12.385, -17.032, -31.792)  ( 0.24,  0.17,  0.09)
181:     bond    (-106.875,  -6.292, -41.131)  (-106.856,  -6.274, -41.113)  ( 0.02,  0.29,  0.04)
181:     angle   ( 56.550,  -8.060,  40.383)  ( 56.559,  -8.051,  40.392)  ( 0.02,  0.12,  0.02)
181:     torsion ( 10.529,  -5.637, -24.337)  ( 10.530,  -5.635, -24.336)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 27.381,   2.927,  -6.735)  ( 27.381,   2.928,  -6.735)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-21.251,   7.931,  21.259)  (-21.222,   7.962,  21.288)  ( 0.14,  0.38,  0.14)
181:     bond    ( 23.687, -49.666, 112.171)  ( 23.705, -49.648, 112.191)  ( 0.08,  0.04,  0.02)
181:     angle   (  5.209,  34.652, -63.076)  (  5.219,  34.662, -63.067)  ( 0.18,  0.03,  0.01)
181:     torsion (-21.776,  -6.463,   0.221)  (-21.775,  -6.461,   0.222)  ( 0.01,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-28.372,  29.408, -28.058)  (-28.371,  29.410, -28.058)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 24.080, -69.418, -20.760)  ( 24.120, -69.382, -20.722)  ( 0.16,  0.05,  0.18)
181:     bond    (135.254, -12.790, -16.925)  (135.277, -12.771, -16.904)  ( 0.02,  0.15,  0.12)
181:     angle   (-108.854, -51.139, -21.709)  (-108.838, -51.125, -21.694)  ( 0.01,  0.03,  0.07)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gjd_0n0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gk3_l87.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gk4_l90.sdf
179:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
179:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
179:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
179:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
179:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
179:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
179:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
179:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
179:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
179:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gkm_683.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gkt_0o1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gl5_g29.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4glb_xxh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4glx_0xs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gm5_0x9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gm7_hci.sdf
181:     torsion (-15.523, -14.689,  20.072)  (-15.522, -14.687,  20.073)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 13.203,   9.200,  -2.198)  ( 13.203,   9.201,  -2.198)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (  5.068,  -3.362,  12.702)  (  5.098,  -3.332,  12.731)  ( 0.59,  0.88,  0.24)
181:     bond    ( 36.092, -60.119, -133.482)  ( 36.109, -60.101, -133.463)  ( 0.05,  0.03,  0.01)
181:     angle   (-21.003,  23.373,  98.749)  (-20.993,  23.382,  98.758)  ( 0.05,  0.04,  0.01)
181:     torsion (  4.464, -11.648,   6.174)  (  4.466, -11.646,   6.175)  ( 0.03,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.485,  45.031,  41.261)  (-14.484,  45.032,  41.261)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -1.075,  35.661, -27.232)  ( -1.043,  35.694, -27.200)  ( 3.02,  0.09,  0.12)
181:     bond    (-59.491, -98.316, 109.543)  (-59.471, -98.297, 109.562)  ( 0.03,  0.02,  0.02)
181:     angle   ( 78.747,  50.708, -103.048)  ( 78.758,  50.719, -103.037)  ( 0.01,  0.02,  0.01)
181:     torsion ( -2.005,  47.425,  -9.989)  ( -2.004,  47.427,  -9.987)  ( 0.04,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-18.327,  35.843, -23.738)  (-18.326,  35.844, -23.737)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-21.460,  28.710,  24.501)  (-21.427,  28.742,  24.531)  ( 0.16,  0.11,  0.13)
181:     bond    (149.796, -96.925, -10.303)  (149.815, -96.904, -10.285)  ( 0.01,  0.02,  0.18)
181:     angle   (-115.617,  81.993,  71.317)  (-115.605,  82.004,  71.327)  ( 0.01,  0.01,  0.01)
181:     torsion (-28.846,  17.622,   6.086)  (-28.845,  17.623,   6.089)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-26.793,  26.019, -42.600)  (-26.792,  26.020, -42.599)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  4.159, -42.273, -21.119)  (  4.195, -42.234, -21.085)  ( 0.87,  0.09,  0.16)
181:     bond    (-129.458,  -4.452, 152.042)  (-129.438,  -4.431, 152.061)  ( 0.02,  0.47,  0.01)
181:     angle   (127.747, -66.671, -101.924)  (127.761, -66.657, -101.913)  ( 0.01,  0.02,  0.01)
181:     torsion ( 15.740, -13.912, -52.855)  ( 15.741, -13.910, -52.852)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.870,  42.763, -18.381)  ( -9.869,  42.764, -18.381)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 54.252,   2.864,  38.220)  ( 54.289,   2.927,  38.404)  ( 0.07,  2.20,  0.48)
181:     bond    (116.744,   8.696, -58.261)  (116.765,   8.717, -58.240)  ( 0.02,  0.24,  0.04)
181:     angle   (-44.442, -21.743,  72.828)  (-44.426, -21.729,  72.841)  ( 0.04,  0.07,  0.02)
181:     torsion ( -9.082,  -1.376,  27.007)  ( -9.081,  -1.373,  27.010)  ( 0.01,  0.19,  0.01)
181:     oop     (  0.010,  -0.147,  -0.875)  (  0.007,  -0.123,  -0.729)  ( 0.00,  0.36, 12.86)
181:     vdw     ( -8.978,  17.434,  -2.478)  ( -8.977,  17.435,  -2.478)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -4.690,  -0.608, -12.611)  ( -4.661,  -0.578, -12.582)  ( 0.63,  1.82,  0.24)
181:     bond    ( 38.557, -66.637, -124.644)  ( 38.575, -66.619, -124.625)  ( 0.05,  0.03,  0.02)
181:     angle   (-16.684,  68.990,  73.148)  (-16.674,  69.000,  73.157)  ( 0.06,  0.01,  0.01)
181:     torsion (-18.479, -14.465,   0.974)  (-18.478, -14.463,   0.974)  ( 0.01,  0.01,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gny_sds.sdf
177:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
177:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
177:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
177:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
177:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
177:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
177:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
177:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
177:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
177:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
177:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
177:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
177:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
177:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
177:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
177:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
177: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
177:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
177:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
177: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
177:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
177:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
177:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
177: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gpj_0q1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gq0_qap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gq3_0ro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gq4_0rt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gqi_m49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gql_r47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gqs_0xv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gr0_r4b.sdf
181:     vdw     ( -8.085,  11.503,  37.911)  ( -8.084,  11.504,  37.911)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (141.957,  62.584,  24.275)  (141.982,  62.594,  24.302)  ( 0.02,  0.02,  0.11)
181:     bond    (187.677,  96.952,   6.946)  (187.700,  96.958,   6.963)  ( 0.01,  0.01,  0.25)
181:     angle   (-29.664,   0.677,  50.012)  (-29.662,   0.680,  50.021)  ( 0.01,  0.21,  0.02)
181:     torsion ( -0.245, -22.328, -25.408)  ( -0.245, -22.328, -25.407)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-15.811, -12.717,  -7.275)  (-15.810, -12.717,  -7.275)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 44.583,  -7.909, -27.026)  ( 44.587,  -7.903, -27.014)  ( 0.01,  0.08,  0.04)
181:     bond    (  3.150,  -7.872, -16.573)  (  3.150,  -7.869, -16.562)  ( 0.01,  0.03,  0.07)
181:     angle   ( -2.086,  -9.527,   4.128)  ( -2.083,  -9.524,   4.129)  ( 0.15,  0.03,  0.02)
181:     torsion ( 36.936,   6.164,   4.096)  ( 36.937,   6.164,   4.096)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.582,   3.325, -18.678)  (  6.583,   3.326, -18.677)  ( 0.01,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-15.966,  20.151,  24.480)  (-15.961,  20.156,  24.493)  ( 0.03,  0.03,  0.05)
181:     bond    ( -7.259,  10.575,  35.044)  ( -7.259,  10.576,  35.056)  ( 0.00,  0.01,  0.03)
181:     angle   ( -6.563,   7.386,  -3.588)  ( -6.559,   7.389,  -3.587)  ( 0.05,  0.04,  0.01)
181:     torsion (-23.887,  13.197,  -8.927)  (-23.886,  13.198,  -8.927)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 21.742, -11.007,   1.952)  ( 21.743, -11.006,   1.952)  ( 0.01,  0.01,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       ( 28.424,   7.133, -42.440)  ( 28.429,   7.138, -42.428)  ( 0.02,  0.08,  0.03)
181:     bond    (  3.220,  -5.723, -17.457)  (  3.220,  -5.722, -17.445)  ( 0.01,  0.02,  0.07)
181:     angle   ( -2.774,  10.732,  -4.033)  ( -2.771,  10.735,  -4.032)  ( 0.12,  0.03,  0.01)
181:     torsion ( 22.776,  30.753,  -5.883)  ( 22.777,  30.754,  -5.883)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.202, -28.629, -15.067)  (  5.203, -28.628, -15.067)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( 94.571,  22.195, -55.139)  ( 94.577,  22.200, -55.127)  ( 0.01,  0.02,  0.02)
181:     bond    (  6.823, -15.057, -30.941)  (  6.824, -15.054, -30.931)  ( 0.01,  0.02,  0.03)
181:     angle   ( 14.968,  11.099,  -2.101)  ( 14.971,  11.102,  -2.101)  ( 0.02,  0.03,  0.03)
181:     torsion ( 41.437,  24.281,  -2.676)  ( 41.437,  24.281,  -2.676)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 31.343,   1.871, -19.420)  ( 31.344,   1.872, -19.420)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-25.643,   6.133, -28.436)  (-25.635,   6.137, -28.427)  ( 0.03,  0.06,  0.03)
181:     bond    (-20.780,   4.981, -23.834)  (-20.774,   4.982, -23.826)  ( 0.03,  0.00,  0.03)
181:     angle   ( 17.263,  -7.511, -16.624)  ( 17.264,  -7.508, -16.622)  ( 0.01,  0.04,  0.01)
181:     torsion (-14.457,   3.681,  13.374)  (-14.456,   3.681,  13.374)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.669,   4.981,  -1.353)  ( -7.669,   4.982,  -1.352)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       ( 21.404,   9.267,  51.371)  ( 21.409,   9.272,  51.382)  ( 0.03,  0.06,  0.02)
177:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
177:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
177:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
177:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
177:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
177: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
177:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
177:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
177:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
177:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
177:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
177: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
177:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
177:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
177:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
177:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
177:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
177: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
177:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
177:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
177:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
177:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
177:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
177: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
177:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
177:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
177:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
177:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
177: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
177:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
177:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gr3_r45.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gr8_r4c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gr9_372.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4grb_0xg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4grk_ktr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4grq_avl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gru_dio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gs8_mgj.sdf
179:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
179:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
179:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
179:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
179:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
179:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
179:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
179:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
179:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
179:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
179:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
179:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
179:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
179:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
179:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gsf_mgh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gsu_dwz.sdf
181:     bond    (-15.107,  13.559,  27.613)  (-15.105,  13.561,  27.622)  ( 0.02,  0.02,  0.03)
181:     angle   ( 27.787,  -5.154,  17.724)  ( 27.789,  -5.151,  17.725)  ( 0.01,  0.05,  0.01)
181:     torsion ( 30.926,  -5.029,  19.380)  ( 30.927,  -5.029,  19.381)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-22.202,   5.891, -13.347)  (-22.202,   5.891, -13.346)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( 16.406, -38.434, -25.285)  ( 16.411, -38.430, -25.273)  ( 0.03,  0.01,  0.05)
181:     bond    (  9.915,  -9.714, -27.660)  (  9.916,  -9.713, -27.649)  ( 0.01,  0.01,  0.04)
181:     angle   ( 12.153,  -6.961,   6.804)  ( 12.156,  -6.959,   6.804)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.506, -26.055,   9.335)  (  0.506, -26.055,   9.335)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.167,   4.296, -13.763)  ( -6.166,   4.297, -13.763)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       ( -0.427,  41.149, -10.757)  ( -0.423,  41.163, -10.754)  ( 0.18,  0.03,  0.03)
181:     bond    ( -6.965,  35.011,  -3.353)  ( -6.964,  35.024,  -3.353)  ( 0.01,  0.04,  0.00)
181:     angle   ( 10.464,   3.532,  15.148)  ( 10.467,   3.532,  15.151)  ( 0.03,  0.01,  0.02)
181:     torsion (  7.604,   0.364, -11.995)  (  7.604,   0.364, -11.994)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.531,   2.243, -10.558)  (-11.530,   2.243, -10.558)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       ( -8.832,  62.541,  30.027)  ( -8.828,  62.544,  30.039)  ( 0.05,  0.00,  0.04)
181:     bond    (-10.934,   3.951,  30.250)  (-10.933,   3.951,  30.262)  ( 0.01,  0.00,  0.04)
181:     angle   ( -6.824,  19.150,  -4.966)  ( -6.821,  19.152,  -4.965)  ( 0.04,  0.01,  0.01)
181:     torsion ( -0.136,  45.168,  -5.947)  ( -0.136,  45.168,  -5.947)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.062,  -5.728,  10.689)  (  9.063,  -5.727,  10.689)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  3.940, -39.525,  28.389)  (  3.944, -39.511,  28.392)  ( 0.12,  0.03,  0.01)
181:     bond    (  5.472, -27.716,  -2.162)  (  5.472, -27.702,  -2.162)  ( 0.01,  0.05,  0.00)
181:     angle   ( 28.211,   6.634, -13.586)  ( 28.215,   6.634, -13.584)  ( 0.01,  0.00,  0.02)
181:     torsion (-11.974,  -5.473,  39.824)  (-11.973,  -5.473,  39.824)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.770, -12.970,   4.314)  (-17.769, -12.970,   4.314)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (-11.360,   9.849, -23.675)  (-11.361,   9.882, -23.568)  ( 0.01,  0.33,  0.45)
181:     bond    ( -1.097,  20.505,  -3.627)  ( -1.097,  20.519,  -3.627)  ( 0.01,  0.07,  0.01)
181:     angle   (-28.664,  -1.892,  -2.033)  (-28.661,  -1.892,  -2.033)  ( 0.01,  0.00,  0.00)
181:     torsion (  2.012,  -3.156, -18.466)  (  2.012,  -3.156, -18.462)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.044,  -0.132,  -0.759)  (  0.038,  -0.114,  -0.657)  ( 0.02,  0.23,  7.78)
181:     vdw     ( 16.346,  -5.476,   1.211)  ( 16.347,  -5.476,   1.211)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( 36.308,   6.034,  29.955)  ( 36.314,   6.038,  29.964)  ( 0.02,  0.07,  0.03)
181:     bond    ( 18.767, -10.397,  28.481)  ( 18.771, -10.396,  28.490)  ( 0.02,  0.01,  0.03)
181:     angle   ( -1.700,   6.406,   3.457)  ( -1.698,   6.409,   3.458)  ( 0.11,  0.05,  0.02)
181:     torsion ( 16.501,  18.716,  -4.044)  ( 16.502,  18.716,  -4.043)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gsy_0y5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gtm_7tm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gto_7to.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gtq_7tq.sdf
177:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
177: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
177:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
177:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
177:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
177:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
177:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
177: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
177:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
177:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
177:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
177:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -6.870,  36.702,  -5.681)  ( -6.722,  36.693,  -6.048)  ( 2.15,  0.02,  6.46)
177:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
177:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.784,   0.421,   0.854)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
177:     oop     ( -0.853,   0.117,   2.254)  ( -0.713,   0.098,   1.885)  (11.97,  0.23, 16.38)
177:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
177:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
177: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
177:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
177:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
177:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
177:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
177:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
177: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
177:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
177:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
177:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
177:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
177:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
177: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
177:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gtr_7tr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gts_7tp.sdf
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.739,  -8.691,   2.060)  (  2.739,  -8.691,   2.060)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       ( -3.055, -21.255, -46.663)  ( -3.049, -21.250, -46.653)  ( 0.18,  0.02,  0.02)
181:     bond    ( 18.481, -11.472, -29.819)  ( 18.484, -11.471, -29.810)  ( 0.02,  0.01,  0.03)
181:     angle   (  2.922,  21.454,  -6.444)  (  2.924,  21.456,  -6.443)  ( 0.07,  0.01,  0.01)
181:     torsion (-22.485, -13.659,  -8.686)  (-22.484, -13.659,  -8.686)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.973, -17.577,  -1.714)  ( -1.973, -17.577,  -1.714)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (-17.819,  36.412,  43.503)  (-17.816,  36.415,  43.517)  ( 0.02,  0.01,  0.03)
181:     bond    ( -7.195,  -1.910,  37.298)  ( -7.195,  -1.910,  37.312)  ( 0.00,  0.01,  0.04)
181:     angle   (-15.370,  18.468,  -2.018)  (-15.367,  18.471,  -2.018)  ( 0.02,  0.01,  0.00)
181:     torsion ( -1.188,  41.884,   1.915)  ( -1.188,  41.884,   1.915)  ( 0.03,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.934, -22.031,   6.308)  (  5.934, -22.030,   6.308)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       (  4.327, -52.811,   8.132)  (  4.332, -52.800,   8.135)  ( 0.11,  0.02,  0.03)
181:     bond    ( 15.124, -34.548, -10.635)  ( 15.126, -34.538, -10.634)  ( 0.01,  0.03,  0.01)
181:     angle   (  2.229,   8.850, -25.573)  (  2.232,   8.850, -25.570)  ( 0.11,  0.01,  0.01)
181:     torsion (-14.616, -17.750,  36.861)  (-14.616, -17.750,  36.861)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.589,  -9.362,   7.479)  (  1.590,  -9.362,   7.479)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       (-18.443,  12.453,  56.330)  (-18.440,  12.458,  56.341)  ( 0.02,  0.04,  0.02)
181:     bond    ( 14.507,  17.400,  38.285)  ( 14.508,  17.402,  38.296)  ( 0.01,  0.01,  0.03)
181:     angle   (-18.110,  22.092,  -3.181)  (-18.108,  22.095,  -3.180)  ( 0.01,  0.01,  0.02)
181:     torsion (-21.422, -19.062,  16.778)  (-21.422, -19.062,  16.778)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.582,  -7.977,   4.447)  (  6.582,  -7.977,   4.447)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       ( 50.114,  12.768, -16.909)  ( 50.124,  12.772, -16.904)  ( 0.02,  0.03,  0.03)
181:     bond    ( 28.379, -12.263, -17.863)  ( 28.388, -12.261, -17.859)  ( 0.03,  0.01,  0.02)
181:     angle   ( -7.540,  -4.218,  -9.092)  ( -7.539,  -4.216,  -9.090)  ( 0.01,  0.06,  0.02)
181:     torsion ( 15.446,  29.140,   4.546)  ( 15.446,  29.140,   4.545)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 13.829,   0.108,   5.500)  ( 13.830,   0.108,   5.500)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       ( 17.258, -74.872, -16.201)  ( 17.261, -74.865, -16.188)  ( 0.02,  0.01,  0.08)
181:     bond    (  2.525,  -6.603, -19.217)  (  2.525,  -6.602, -19.205)  ( 0.00,  0.02,  0.06)
181:     angle   ( -4.537,  11.154,  -4.432)  ( -4.534,  11.157,  -4.431)  ( 0.07,  0.03,  0.01)
181:     torsion (  6.819, -47.163,  17.109)  (  6.819, -47.162,  17.108)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 12.449, -32.261,  -9.660)  ( 12.450, -32.259,  -9.660)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
179:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
179:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
179:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
179:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
179:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
179:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
179:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
179:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
179:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
179:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 18 # gradients 
179: ok 19 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gu6_10n.sdf
179:  1       ( 45.804,   8.666,   0.052)  ( 45.812,   8.674,   0.106)  ( 0.02,  0.10,  0.28)
179:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
179:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
179:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
179:     electro (  0.603,   0.747,  -0.004)  (  0.603,   0.747,  -0.004)  ( 0.00,  0.00,  0.00)
179:  2       (-58.580, -33.101,  -2.074)  (-58.570, -33.093,  -1.963)  ( 0.02,  0.02,  5.36)
179:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
179:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
179:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
179:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
179:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.561,   2.042,   0.005)  ( -0.561,   2.042,   0.005)  ( 0.00,  0.00,  0.00)
179:  3       ( 29.955, -13.583,   1.499)  ( 29.962, -13.574,   1.374)  ( 0.02,  0.06,  8.32)
179:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
179:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
179:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.008,  -0.220,  -0.006)  ( -2.008,  -0.220,  -0.006)  ( 0.00,  0.00,  0.00)
179:  4       (  5.799,   3.052,  -0.989)  (  5.809,   3.064,  -0.869)  ( 0.17,  0.41, 11.90)
179:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
179:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
179:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
179:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.885,  -2.616,  -0.000)  ( -1.885,  -2.616,  -0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 35.971,  57.674,  -1.797)  ( 35.974,  57.682,  -1.824)  ( 0.01,  0.01,  1.53)
179:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
179:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
179:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
179:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.039,  -1.196,   0.010)  ( -1.039,  -1.196,   0.010)  ( 0.00,  0.00,  0.00)
179:  6       ( -1.213,  11.041,   0.106)  ( -1.205,  11.049,  -0.021)  ( 0.68,  0.07,  1.35)
179:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
179:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
179:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gu9_4gu.sdf
179:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
179:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
179:     electro (  0.348,  -0.695,  -0.005)  (  0.348,  -0.695,  -0.005)  ( 0.00,  0.00,  0.00)
179:  7       (-20.145,  -5.329,  -0.891)  (-20.132,  -5.320,  -0.769)  ( 0.07,  0.16, 10.85)
179:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
179:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
179:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
179:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
179:     electro (  4.583,   1.466,   0.001)  (  4.583,   1.466,   0.001)  ( 0.00,  0.00,  0.00)
179:  8       (-52.573,  -1.900,  -0.457)  (-52.562,  -1.899,  -0.525)  ( 0.02,  0.06,  3.09)
179:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
179:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
179:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
179:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
179:     electro (  0.615,  -0.099,  -0.017)  (  0.615,  -0.099,  -0.017)  ( 0.00,  0.00,  0.00)
179:  9       (-31.749, -12.688,  -0.521)  (-31.740, -12.679,  -0.557)  ( 0.03,  0.06,  1.90)
179:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
179:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
179:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
179:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.095,   0.172,   0.001)  ( -0.095,   0.172,   0.001)  ( 0.00,  0.00,  0.00)
179: 10       (-10.933, -27.650,  -0.039)  (-10.928, -27.644,  -0.102)  ( 0.04,  0.02,  0.25)
179:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
179:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
179:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.259,   1.410,   0.007)  ( -0.259,   1.410,   0.007)  ( 0.00,  0.00,  0.00)
179: 11       ( 35.883,   8.664,  -0.338)  ( 35.889,   8.671,  -0.245)  ( 0.02,  0.08,  3.13)
179:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
179:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
179:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
179:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
179:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.018,  -0.019,  -0.000)  ( -0.018,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
179: 12       ( 17.293,   2.712,   1.183)  ( 17.298,   2.719,   1.174)  ( 0.03,  0.24,  0.78)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gub_0y4.sdf
177:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
177:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
177:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
177: 24       (-10.644,  46.320,  -7.304)  (-10.601,  46.321,  -7.383)  ( 0.41,  0.00,  1.07)
177:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
177:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
177:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
177:     torsion ( -0.033,  -0.002,   0.110)  ( -0.033,  -0.002,   0.110)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.164,   0.025,   0.425)  ( -0.132,   0.020,   0.344)  ( 0.53,  0.01,  3.44)
177:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
177:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
177: 25       (  2.890, -52.759,   7.938)  (  2.866, -52.746,   8.021)  ( 0.81,  0.03,  1.05)
177:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
177:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
177:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.692,  -0.055,  -1.836)  (  0.692,  -0.055,  -1.835)  ( 0.01,  0.00,  0.06)
177:     oop     (  0.204,  -0.021,  -0.530)  (  0.173,  -0.017,  -0.449)  ( 0.63,  0.01,  4.31)
177:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
177:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
177: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
177:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
177:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
177:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
177:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
177: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
177:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
177:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
177:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
177:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
177: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
177:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
177:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
177:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
179:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
179:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
179:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
179:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
179:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.199,   0.482,   0.005)  ( -0.199,   0.482,   0.005)  ( 0.00,  0.00,  0.00)
179: 13       (-10.045,  -5.608,   1.125)  (-10.040,  -5.601,   1.145)  ( 0.05,  0.12,  1.79)
179:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
179:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
179:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
179:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
179:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.238,   0.401,   0.001)  ( -1.238,   0.401,   0.001)  ( 0.00,  0.00,  0.00)
179: 14       (  6.287,  -6.477,   3.822)  (  6.293,  -6.472,   3.842)  ( 0.10,  0.08,  0.53)
179:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
179:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
179:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
179:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
179:     electro (  1.023,  -1.624,   0.005)  (  1.023,  -1.624,   0.005)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.856,   6.294,   0.492)  ( -0.855,   6.299,   0.441)  ( 0.07,  0.08,  2.50)
179:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
179:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
179:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
179:     electro (  0.130,  -0.252,  -0.003)  (  0.130,  -0.252,  -0.003)  ( 0.00,  0.00,  0.00)
179: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
179:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
179:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
179:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
179:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gue_qct.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       ( -2.346,  17.106,  26.971)  ( -2.338,  17.112,  26.979)  ( 0.34,  0.04,  0.03)
181:     bond    (-24.673,  23.429,  25.665)  (-24.669,  23.434,  25.670)  ( 0.02,  0.02,  0.02)
181:     angle   (-11.688, -14.038,   1.582)  (-11.686, -14.036,   1.584)  ( 0.02,  0.02,  0.12)
181:     torsion (  5.673, -11.971,  16.379)  (  5.673, -11.971,  16.379)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 28.343,  19.686, -16.655)  ( 28.344,  19.686, -16.654)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (  3.916, -11.977, -70.615)  (  3.923, -11.969, -70.610)  ( 0.19,  0.06,  0.01)
181:     bond    ( 23.281, -24.777, -18.786)  ( 23.286, -24.772, -18.783)  ( 0.02,  0.02,  0.02)
181:     angle   ( -3.238,   3.945,  -9.218)  ( -3.236,   3.946,  -9.216)  ( 0.06,  0.04,  0.02)
181:     torsion (-16.522,  17.754, -43.899)  (-16.523,  17.754, -43.899)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.395,  -8.898,   1.288)  (  0.396,  -8.898,   1.288)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       ( 32.071, -33.304,  25.059)  ( 32.075, -33.300,  25.072)  ( 0.01,  0.01,  0.05)
181:     bond    (  1.999,  -6.832,  29.850)  (  1.998,  -6.831,  29.863)  ( 0.00,  0.01,  0.04)
181:     angle   ( -7.301,  -5.703,  -0.816)  ( -7.298,  -5.700,  -0.815)  ( 0.04,  0.05,  0.01)
181:     torsion ( 29.488, -23.263,  -7.295)  ( 29.488, -23.262,  -7.295)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.885,   2.492,   3.320)  (  7.886,   2.493,   3.320)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (-42.456,  36.563,   2.121)  (-42.451,  36.570,   2.129)  ( 0.01,  0.02,  0.40)
181:     bond    (-12.892,  19.154,  24.179)  (-12.890,  19.158,  24.186)  ( 0.01,  0.02,  0.03)
181:     angle   (  2.102,  -1.369,   2.203)  (  2.104,  -1.367,   2.204)  ( 0.12,  0.14,  0.05)
181:     torsion (-23.627,  17.730, -26.636)  (-23.626,  17.730, -26.636)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.039,   1.048,   2.375)  ( -8.039,   1.049,   2.375)  ( 0.00,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       ( 52.952,  -9.860, -46.709)  ( 52.958,  -9.855, -46.698)  ( 0.01,  0.05,  0.02)
181:     bond    (-15.220,  19.983, -45.230)  (-15.219,  19.985, -45.219)  ( 0.01,  0.01,  0.02)
181:     angle   (-20.705, -20.061,  -1.898)  (-20.702, -20.058,  -1.898)  ( 0.01,  0.01,  0.03)
181:     torsion ( 29.317, -32.429, -24.199)  ( 29.317, -32.428, -24.198)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 59.560,  22.646,  24.617)  ( 59.562,  22.646,  24.618)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (-30.119,   0.338,  61.014)  (-30.115,   0.342,  61.026)  ( 0.01,  0.13,  0.02)
181:     bond    ( 12.586,  -9.382,  34.918)  ( 12.587,  -9.382,  34.929)  ( 0.01,  0.01,  0.03)
181:     angle   ( -6.602,  16.545,   6.822)  ( -6.600,  16.547,   6.823)  ( 0.04,  0.01,  0.01)
181:     torsion (-29.059,   7.019,  12.357)  (-29.059,   7.019,  12.357)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.043, -13.843,   6.917)  ( -7.043, -13.842,   6.917)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       ( 33.764, -28.975,  -6.678)  ( 33.769, -28.966,  -6.671)  ( 0.02,  0.03,  0.11)
181:     bond    ( 10.870, -19.294, -17.724)  ( 10.872, -19.288, -17.719)  ( 0.02,  0.03,  0.03)
179:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
179:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
179:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
179:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
179:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
179:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
179:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
179:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
179:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
179:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
179:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
179:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gui_qic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4guw_lp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4guy_klj.sdf
177:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
177: 29       ( 12.410,   3.420,   4.766)  ( 12.399,   3.425,   4.814)  ( 0.09,  0.14,  1.01)
177:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
177:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
177:     torsion ( -0.049,   0.009,   0.126)  ( -0.049,   0.009,   0.127)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
177:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
177:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
177:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
177:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
177:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
177:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
177:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
177: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
177:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
177:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
177:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
177:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
177:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
177: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
177:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
177:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
177:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
177:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
177:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
177:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
177:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
177:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
177:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
177:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
177:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
179:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
179:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
179:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
179:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 20 # gradients 
179: ok 21 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gv0_8me.sdf
181:     angle   (-11.286,  -8.512,   2.339)  (-11.283,  -8.510,   2.340)  ( 0.02,  0.02,  0.06)
181:     torsion ( 26.667,   8.579,   7.023)  ( 26.667,   8.580,   7.023)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.513,  -9.748,   1.685)  (  7.513,  -9.748,   1.685)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       (-47.852,  -9.022, -44.500)  (-47.849,  -9.018, -44.486)  ( 0.01,  0.05,  0.03)
181:     bond    (  2.526,  -0.643, -28.750)  (  2.526,  -0.643, -28.736)  ( 0.00,  0.01,  0.05)
181:     angle   ( -0.268,  -2.711,   0.037)  ( -0.265,  -2.707,   0.037)  ( 0.08,  0.13,  0.00)
181:     torsion (-50.211,  -9.373,  -4.203)  (-50.210,  -9.372,  -4.203)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.100,   3.705, -11.584)  (  0.101,   3.705, -11.584)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       (-38.239,  -5.705, -32.015)  (-38.226,  -5.702, -32.012)  ( 0.03,  0.06,  0.01)
181:     bond    (-46.113,  -4.032, -13.586)  (-46.100,  -4.032, -13.585)  ( 0.03,  0.00,  0.01)
181:     angle   (  3.509, -32.715,  -2.200)  (  3.509, -32.712,  -2.198)  ( 0.00,  0.01,  0.09)
181:     torsion (  3.705,   6.365, -14.463)  (  3.705,   6.365, -14.463)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.660,  24.677,  -1.765)  (  0.660,  24.678,  -1.765)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       (-20.074, -19.534,  52.018)  (-20.072, -19.531,  52.032)  ( 0.01,  0.02,  0.03)
181:     bond    (  1.302,   8.678,  40.215)  (  1.302,   8.678,  40.229)  ( 0.01,  0.01,  0.03)
181:     angle   (  9.027, -24.582,   5.010)  (  9.029, -24.580,   5.010)  ( 0.02,  0.01,  0.00)
181:     torsion (-17.002, -12.013,   3.142)  (-17.002, -12.013,   3.142)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-13.401,   8.383,   3.651)  (-13.401,   8.383,   3.651)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( 26.460,  29.842,  -4.295)  ( 26.464,  29.852,  -4.290)  ( 0.02,  0.03,  0.12)
181:     bond    ( 11.126,  23.554, -14.467)  ( 11.128,  23.563, -14.464)  ( 0.02,  0.04,  0.02)
181:     angle   ( 12.472,  -8.642,  -4.482)  ( 12.474,  -8.641,  -4.480)  ( 0.02,  0.01,  0.04)
181:     torsion ( 11.289,   3.498,  14.382)  ( 11.289,   3.498,  14.382)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.427,  11.433,   0.272)  ( -8.427,  11.433,   0.272)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       ( 17.909, -40.158, -26.723)  ( 17.915, -40.148, -26.721)  ( 0.04,  0.02,  0.01)
181:     bond    ( 25.086, -34.130,  -7.983)  ( 25.091, -34.121,  -7.983)  ( 0.02,  0.03,  0.00)
181:     angle   (-20.491, -12.612, -10.496)  (-20.489, -12.611, -10.494)  ( 0.01,  0.01,  0.02)
181:     torsion (  3.136,   4.478,  -9.283)  (  3.136,   4.478,  -9.283)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.178,   2.107,   1.039)  ( 10.178,   2.107,   1.039)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       (  7.352,  34.910, -17.396)  (  7.357,  34.920, -17.391)  ( 0.07,  0.03,  0.02)
181:     bond    ( 14.463,  26.266, -13.205)  ( 14.466,  26.275, -13.203)  ( 0.02,  0.03,  0.02)
181:     angle   (-16.868,   2.403, -13.698)  (-16.866,   2.403, -13.696)  ( 0.01,  0.03,  0.01)
181:     torsion ( -3.902,   6.026,   7.716)  ( -3.902,   6.026,   7.716)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gv1_0xz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gv2_5me.sdf
177:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
177:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
177:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
177:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
177:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
177:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
177:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
177:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
177:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
177:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
177:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
177:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gv4_mej.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gvf_ndg.sdf
181:     vdw     ( 13.658,   0.216,   1.791)  ( 13.659,   0.216,   1.791)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       ( -8.554, -15.355,  43.314)  ( -8.551, -15.353,  43.328)  ( 0.03,  0.02,  0.03)
181:     bond    ( -0.868,   5.060,  34.888)  ( -0.869,   5.060,  34.902)  ( 0.01,  0.00,  0.04)
181:     angle   (-22.600,  -6.248,   0.343)  (-22.597,  -6.246,   0.343)  ( 0.01,  0.03,  0.00)
181:     torsion (  0.908, -12.282,   1.803)  (  0.908, -12.281,   1.803)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.006,  -1.886,   6.280)  ( 14.007,  -1.886,   6.280)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       (-51.991,   5.602,  -4.126)  (-51.979,   5.605,  -4.121)  ( 0.02,  0.06,  0.10)
181:     bond    (-42.778, -10.304, -17.569)  (-42.767, -10.304, -17.567)  ( 0.03,  0.00,  0.01)
181:     angle   ( -4.630, -20.181,  23.103)  ( -4.629, -20.179,  23.105)  ( 0.01,  0.01,  0.01)
181:     torsion ( -7.164,  17.092,   7.415)  ( -7.164,  17.092,   7.415)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.580,  18.995, -17.074)  (  2.580,  18.996, -17.074)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       (-21.495,  33.412, -10.092)  (-21.491,  33.426, -10.089)  ( 0.02,  0.04,  0.03)
181:     bond    (  3.985,  46.253,  -1.556)  (  3.985,  46.266,  -1.556)  ( 0.00,  0.03,  0.01)
181:     angle   ( 13.192,  -0.148,  29.385)  ( 13.194,  -0.148,  29.388)  ( 0.01,  0.00,  0.01)
181:     torsion ( 21.003,  -1.921,  -3.329)  ( 21.003,  -1.921,  -3.329)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-59.674, -10.772, -34.592)  (-59.672, -10.772, -34.591)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       ( 16.626, -30.317, -28.851)  ( 16.633, -30.313, -28.844)  ( 0.05,  0.01,  0.02)
181:     bond    ( 23.941, -13.747, -21.268)  ( 23.948, -13.745, -21.263)  ( 0.03,  0.01,  0.02)
181:     angle   (  6.188,  -6.431,  11.125)  (  6.189,  -6.429,  11.127)  ( 0.02,  0.03,  0.01)
181:     torsion (-12.366, -15.028,  -4.213)  (-12.366, -15.027,  -4.213)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.138,   4.889, -14.495)  ( -1.138,   4.889, -14.495)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 64       (-22.104, -23.871,  24.818)  (-22.091, -23.868,  24.822)  ( 0.06,  0.01,  0.02)
181:     bond    (-40.965,  -6.579,   9.892)  (-40.953,  -6.579,   9.892)  ( 0.03,  0.00,  0.01)
181:     angle   ( -5.448, -19.724, -35.671)  ( -5.448, -19.722, -35.669)  ( 0.00,  0.01,  0.01)
181:     torsion (  4.240, -15.032,   7.554)  (  4.240, -15.031,   7.554)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 20.069,  17.464,  43.044)  ( 20.070,  17.464,  43.045)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 65       ( 41.479,   2.856,  23.643)  ( 41.485,   2.861,  23.652)  ( 0.01,  0.17,  0.04)
181:     bond    ( 23.063, -17.194,  32.166)  ( 23.067, -17.192,  32.174)  ( 0.02,  0.01,  0.02)
181:     angle   ( 22.666, -18.218, -25.987)  ( 22.668, -18.216, -25.986)  ( 0.01,  0.01,  0.00)
181:     torsion ( 12.123,  12.492,  -2.017)  ( 12.123,  12.492,  -2.017)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-16.374,  25.776,  19.481)  (-16.373,  25.777,  19.481)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 66       (-25.698,  36.326,  -3.779)  (-25.695,  36.340,  -3.776)  ( 0.01,  0.04,  0.08)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gvm_lf2.sdf
179:  1       (  1.436,   0.635,  -0.080)  (  1.441,   0.640,  -0.074)  ( 0.35,  0.34,  0.05)
179:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
179:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
179:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
179:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.156,  -0.125,  -0.039)  ( -0.156,  -0.125,  -0.039)  ( 0.00,  0.00,  0.00)
179:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
179:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
179:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
179:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
179:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
179:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
179:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
179:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
179:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  1.512,   0.156,  -0.055)  (  1.517,   0.176,   0.019)  ( 0.34,  0.31,  0.40)
179:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
179:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
179:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
179:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
179:     electro (  0.063,   0.099,   0.121)  (  0.063,   0.099,   0.121)  ( 0.00,  0.00,  0.00)
179:  5       ( -8.945,   4.312,  -0.274)  ( -8.934,   4.277,  -0.481)  ( 0.12,  0.80,  5.66)
179:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
179:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
179:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
179:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
179:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
179:     electro (  0.355,   0.083,  -0.040)  (  0.355,   0.083,  -0.040)  ( 0.00,  0.00,  0.00)
179:  6       (  8.712,  -4.725,   1.481)  (  8.721,  -4.712,   1.502)  ( 0.11,  0.28,  1.43)
179:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
179:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
179:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gvt_0sg.sdf
177: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
177:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
177:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
177:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
177:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
177:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
177:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
177:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
177:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
177:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
177:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
177:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
177:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
177:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gw8_3ra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gxm_0wv.sdf
181:     bond    (  6.331,  45.473,   1.240)  (  6.331,  45.487,   1.240)  ( 0.00,  0.03,  0.02)
181:     angle   ( 15.181,  -1.371, -27.218)  ( 15.183,  -1.371, -27.215)  ( 0.01,  0.00,  0.01)
181:     torsion (-14.786,   2.193,  -4.961)  (-14.786,   2.193,  -4.961)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-32.424,  -9.969,  27.160)  (-32.423,  -9.968,  27.160)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 67       (  4.802,  42.782, -15.312)  (  4.806,  42.796, -15.309)  ( 0.08,  0.03,  0.02)
181:     bond    ( -3.755,  36.643,  -1.571)  ( -3.755,  36.657,  -1.571)  ( 0.00,  0.04,  0.01)
181:     angle   (  5.815,   1.377,  18.212)  (  5.818,   1.377,  18.214)  ( 0.05,  0.00,  0.01)
181:     torsion (  4.474,  -0.552, -23.574)  (  4.474,  -0.552, -23.573)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.731,   5.314,  -8.379)  ( -1.731,   5.314,  -8.379)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 68       ( 18.600, -41.214, -25.758)  ( 18.605, -41.210, -25.746)  ( 0.03,  0.01,  0.05)
181:     bond    (  9.516,  -9.512, -29.381)  (  9.517,  -9.511, -29.370)  ( 0.01,  0.01,  0.04)
181:     angle   ( 10.913,  -9.288,   6.544)  ( 10.916,  -9.286,   6.544)  ( 0.03,  0.02,  0.01)
181:     torsion (  3.658, -33.517,  12.039)  (  3.658, -33.516,  12.039)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.487,  11.103, -14.960)  ( -5.487,  11.103, -14.960)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 69       ( 24.242,  10.836,  42.437)  ( 24.248,  10.842,  42.448)  ( 0.02,  0.06,  0.02)
181:     bond    (-19.615,  22.847,  35.171)  (-19.613,  22.851,  35.179)  ( 0.01,  0.01,  0.02)
181:     angle   (  7.226, -17.693,  15.520)  (  7.229, -17.691,  15.521)  ( 0.03,  0.01,  0.01)
181:     torsion ( 38.219, -14.554,  30.761)  ( 38.219, -14.554,  30.762)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.588,  20.236, -39.015)  ( -1.586,  20.237, -39.014)  ( 0.07,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 70       (-41.118,  22.843, -11.862)  (-41.111,  22.847, -11.852)  ( 0.02,  0.02,  0.08)
181:     bond    (-18.980,   5.841, -25.923)  (-18.975,   5.841, -25.914)  ( 0.02,  0.01,  0.03)
181:     angle   (  2.186, -11.955,  -4.297)  (  2.188, -11.952,  -4.296)  ( 0.08,  0.02,  0.02)
181:     torsion (-23.335,  16.633,  20.836)  (-23.334,  16.633,  20.836)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.990,  12.324,  -2.478)  ( -0.989,  12.325,  -2.478)  ( 0.05,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 71       (-22.526, -19.580,  14.759)  (-22.514, -19.576,  14.763)  ( 0.05,  0.02,  0.03)
181:     bond    (-32.343, -13.094,  11.917)  (-32.332, -13.092,  11.919)  ( 0.03,  0.01,  0.01)
181:     angle   ( -3.695, -21.026, -33.117)  ( -3.694, -21.024, -33.115)  ( 0.01,  0.01,  0.01)
181:     torsion (  2.069,  -3.141,   2.162)  (  2.069,  -3.141,   2.162)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.442,  17.681,  33.797)  ( 11.443,  17.681,  33.797)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 72       ( 28.513,  -2.885,  23.663)  ( 28.521,  -2.883,  23.672)  ( 0.03,  0.10,  0.04)
181:     bond    ( 26.477,  -7.603,  29.522)  ( 26.483,  -7.603,  29.530)  ( 0.02,  0.00,  0.02)
181:     angle   ( 23.889,  -8.494, -23.613)  ( 23.890,  -8.492, -23.612)  ( 0.01,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gxs_0ys.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4gyz_d5m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h0z_amu.sdf
179:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
179:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
179:     electro (  0.032,   0.028,  -0.096)  (  0.032,   0.028,  -0.096)  ( 0.00,  0.00,  0.00)
179:  7       ( -1.422,   0.562,  -0.406)  ( -1.418,   0.571,  -0.376)  ( 0.28,  0.47,  1.19)
179:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
179:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
179:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
179:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
179:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
179:     electro (  0.204,  -0.039,   0.041)  (  0.204,  -0.039,   0.041)  ( 0.00,  0.00,  0.00)
179:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
179:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
179:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
179:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
179:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
179:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
179:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
179:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
179:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
179:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
179:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
179:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
179:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
179:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
179:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
179:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
177:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
177: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
177:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
177:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
177:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
177: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
177:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
177:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
177:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
177:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
177: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
177:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
177:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
177:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
177:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
177:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
177:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
177:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h1e_10j.sdf
181:     torsion (  3.479,   5.766,  -1.636)  (  3.479,   5.767,  -1.636)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-25.332,   7.445,  19.389)  (-25.331,   7.445,  19.390)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 73       (-17.606,  34.717,  -4.281)  (-17.603,  34.731,  -4.278)  ( 0.02,  0.04,  0.08)
181:     bond    ( -4.935,  45.959,  -3.462)  ( -4.935,  45.973,  -3.463)  ( 0.00,  0.03,  0.00)
181:     angle   ( 15.380,  -0.530, -28.957)  ( 15.382,  -0.530, -28.955)  ( 0.01,  0.00,  0.01)
181:     torsion ( -3.445,  -0.437,  -0.896)  ( -3.445,  -0.437,  -0.896)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-24.606, -10.275,  29.035)  (-24.605, -10.275,  29.036)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 74       (-49.166, -29.527, -81.473)  (-49.157, -29.524, -81.458)  ( 0.02,  0.01,  0.02)
181:     bond    (-44.679, -30.815, -66.485)  (-44.673, -30.812, -66.471)  ( 0.01,  0.01,  0.02)
181:     angle   ( 32.405,  13.263, -27.929)  ( 32.406,  13.263, -27.927)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.186,  -0.363,   0.043)  (  0.186,  -0.363,   0.043)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-37.078, -11.611,  12.897)  (-37.076, -11.611,  12.897)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 22 # gradients 
181: ok 23 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (471.070, -527.809, 235.674)  (471.068, -527.650, 235.807)  ( 0.00,  0.03,  0.06)
181:     bond    (282.282, -338.460, 183.324)  (282.308, -338.434, 183.329)  ( 0.01,  0.01,  0.00)
181:     angle   (223.482, -162.837,  60.542)  (223.499, -162.822,  60.544)  ( 0.01,  0.01,  0.00)
181:     torsion (  6.514,  -3.017,  -7.176)  (  6.516,  -3.014,  -7.160)  ( 0.02,  0.07,  0.23)
181:     oop     (  0.299,  -0.686,  -0.777)  (  0.251,  -0.571,  -0.667)  ( 1.43,  7.90,  8.55)
181:     vdw     (-41.507, -22.810,  -0.239)  (-41.506, -22.810,  -0.239)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-37.678, 495.727, -93.390)  (-37.527, 495.643, -93.793)  ( 0.40,  0.02,  0.43)
181:     bond    (181.430, 258.233, -39.725)  (181.458, 258.263, -39.721)  ( 0.02,  0.01,  0.01)
181:     angle   (-176.405, 185.504, -106.176)  (-176.388, 185.515, -106.173)  ( 0.01,  0.01,  0.00)
181:     torsion (-15.467,  17.518,  74.486)  (-15.466,  17.520,  74.506)  ( 0.01,  0.01,  0.03)
181:     oop     ( -0.647,   0.819,   2.707)  ( -0.545,   0.691,   2.277)  ( 6.61, 10.54, 15.86)
181:     vdw     (-26.588,  33.653, -24.682)  (-26.586,  33.653, -24.682)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-70.571, 413.449,  -6.654)  (-70.580, 413.518,  -6.036)  ( 0.01,  0.02,  9.28)
181:     bond    ( 24.585,  49.198,   0.771)  ( 24.613,  49.244,   0.772)  ( 0.12,  0.09,  0.05)
181:     angle   (-71.834, 356.155, -23.113)  (-71.810, 356.171, -23.113)  ( 0.03,  0.00,  0.00)
181:     torsion ( -9.725,  14.444,  21.224)  ( -9.725,  14.444,  21.230)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.353,  -0.045,  -3.367)  (  0.290,  -0.039,  -2.757)  ( 2.19,  0.03, 18.12)
181:     vdw     (-13.950,  -6.302,  -2.168)  (-13.949,  -6.301,  -2.168)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 67.296, 345.733, -116.832)  ( 67.465, 345.534, -117.404)  ( 0.25,  0.06,  0.49)
181:     bond    ( 20.962, 334.056, -140.328)  ( 20.991, 334.095, -140.317)  ( 0.14,  0.01,  0.01)
181:     angle   ( 51.638,  24.695,  -7.235)  ( 51.658,  24.709,  -7.233)  ( 0.04,  0.06,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h1j_0yh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h1m_0yj.sdf
181:     torsion ( -1.442,  10.041,  17.530)  ( -1.441,  10.045,  17.545)  ( 0.04,  0.04,  0.09)
181:     oop     ( -0.714,   1.530,   3.590)  ( -0.594,   1.273,   2.990)  ( 8.56, 16.80, 16.72)
181:     vdw     ( -3.149, -24.589,   9.611)  ( -3.149, -24.588,   9.611)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-63.482,  -7.984, -114.601)  (-63.515,  -7.856, -114.371)  ( 0.05,  1.60,  0.20)
181:     bond    (  1.526,  54.724, -23.955)  (  1.527,  54.752, -23.950)  ( 0.02,  0.05,  0.02)
181:     angle   (-57.069,  -2.678,  -9.760)  (-57.061,  -2.678,  -9.760)  ( 0.02,  0.00,  0.00)
181:     torsion ( 17.384, -39.452, -89.086)  ( 17.384, -39.451, -89.083)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.236,  -0.536,  -1.211)  (  0.194,  -0.438,  -0.990)  ( 1.02,  5.24, 18.26)
181:     vdw     (-25.559, -20.041,   9.411)  (-25.558, -20.041,   9.411)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-324.748, -239.216,  64.079)  (-324.734, -239.089,  64.310)  ( 0.00,  0.05,  0.36)
181:     bond    (-298.909, -143.325,   5.907)  (-298.880, -143.297,   5.912)  ( 0.01,  0.02,  0.09)
181:     angle   (-31.422, -42.662,  11.915)  (-31.404, -42.647,  11.917)  ( 0.06,  0.03,  0.02)
181:     torsion ( -4.860,  10.627,  20.995)  ( -4.860,  10.630,  21.019)  ( 0.01,  0.02,  0.12)
181:     oop     (  0.233,  -0.526,  -1.282)  (  0.197,  -0.445,  -1.083)  ( 0.83,  4.26, 15.52)
181:     vdw     ( 10.211, -63.330,  26.545)  ( 10.214, -63.330,  26.545)  ( 0.03,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-237.204, 105.160,  -7.206)  (-237.068, 105.024,  -7.751)  ( 0.06,  0.13,  7.56)
181:     bond    (-276.789, 151.802, -85.378)  (-276.753, 151.831, -85.372)  ( 0.01,  0.02,  0.01)
181:     angle   ( 62.975, -107.332,  44.691)  ( 62.994, -107.313,  44.693)  ( 0.03,  0.02,  0.00)
181:     torsion ( -8.959,   9.460,  46.715)  ( -8.959,   9.463,  46.741)  ( 0.00,  0.03,  0.06)
181:     oop     ( -0.441,   0.992,   3.150)  ( -0.362,   0.805,   2.572)  ( 3.48, 18.47, 18.37)
181:     vdw     (-13.990,  50.238, -16.384)  (-13.988,  50.238, -16.384)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 12.867,  56.253,  18.035)  ( 12.903,  56.306,  18.097)  ( 0.28,  0.09,  0.34)
181:     bond    (-13.555,  39.305, -14.952)  (-13.526,  39.328, -14.949)  ( 0.21,  0.06,  0.02)
181:     angle   (  3.621,  68.824, -22.507)  (  3.631,  68.838, -22.505)  ( 0.29,  0.02,  0.01)
181:     torsion ( -4.379,  10.462,  32.449)  ( -4.379,  10.465,  32.470)  ( 0.01,  0.02,  0.06)
181:     oop     (  0.027,  -0.075,  -0.222)  (  0.023,  -0.063,  -0.185)  ( 0.01,  0.09,  0.80)
181:     vdw     ( 27.152, -62.265,  23.266)  ( 27.153, -62.263,  23.266)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (193.905, -249.150, 113.403)  (193.722, -248.655, 114.753)  ( 0.09,  0.20,  1.19)
181:     bond    (187.582, -203.883,  60.781)  (187.623, -203.848,  60.788)  ( 0.02,  0.02,  0.01)
181:     angle   (-37.635, -20.082, 257.774)  (-37.622, -20.065, 257.781)  ( 0.04,  0.08,  0.00)
181:     torsion ( 45.057, -48.667, -185.202)  ( 45.058, -48.665, -185.184)  ( 0.00,  0.00,  0.01)
181:     oop     (  1.431,  -2.502,  -7.557)  (  1.193,  -2.061,  -6.238)  (16.62, 17.62, 17.45)
181:     vdw     ( -2.531,  25.983, -12.393)  ( -2.531,  25.984, -12.393)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 13.498,  89.796, -22.035)  ( 13.513,  89.914, -21.812)  ( 0.11,  0.13,  1.01)
181:     bond    ( 14.795, -92.389,  33.934)  ( 14.825, -92.367,  33.938)  ( 0.20,  0.02,  0.01)
181:     angle   ( -4.599, 137.077, -47.403)  ( -4.589, 137.093, -47.401)  ( 0.21,  0.01,  0.00)
181:     torsion ( -2.797,   6.187,  23.576)  ( -2.796,   6.190,  23.595)  ( 0.01,  0.05,  0.08)
181:     oop     (  0.141,  -0.424,  -1.088)  (  0.116,  -0.349,  -0.891)  ( 0.36,  3.18, 18.10)
181:     vdw     (  5.957,  39.344, -31.053)  (  5.958,  39.346, -31.053)  ( 0.02,  0.01,  0.00)
177:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
177:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
177:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
177:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
177:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       ( 15.405,  -4.653,   1.433)  ( 15.399,  -4.646,   1.450)  ( 0.04,  0.14,  1.21)
177:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
177:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.646,  -0.155,  -1.646)  (  0.647,  -0.155,  -1.645)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.061,  -0.014,  -0.154)  (  0.054,  -0.013,  -0.138)  ( 0.04,  0.00,  0.26)
177:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
177:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
177: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
177:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
177:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
177:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
177:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
177:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
177:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h1y_0yq.sdf
179:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
179:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
179:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
179:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
179:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
179:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
179:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
179:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
179:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
179:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
179:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
179:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
179:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
179:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
179:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
179:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
179:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
179:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
179:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
179:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-264.108, -25.417, -102.288)  (-263.234, -26.150, -98.666)  ( 0.33,  2.89,  3.54)
181:     bond    (-109.904, -40.910,  -2.486)  (-109.872, -40.882,  -2.482)  ( 0.03,  0.07,  0.17)
181:     angle   (-195.311,   7.602, -92.894)  (-195.293,   7.618, -92.891)  ( 0.01,  0.22,  0.00)
181:     torsion (  9.228, -10.620,  14.738)  (  9.228, -10.617,  14.754)  ( 0.01,  0.02,  0.11)
181:     oop     ( -2.539,   2.424, -11.214)  ( -1.716,   1.642,  -7.615)  (32.39, 32.27, 32.09)
181:     vdw     ( 34.418,  16.088, -10.432)  ( 34.419,  16.089, -10.432)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-10.655,  -5.268,  33.617)  (-10.638,  -5.289,  33.534)  ( 0.16,  0.39,  0.25)
181:     bond    ( -0.711, -13.338,   5.041)  ( -0.711, -13.325,   5.043)  ( 0.01,  0.10,  0.04)
181:     angle   (-13.750,   0.175,  -1.474)  (-13.746,   0.175,  -1.474)  ( 0.03,  0.00,  0.01)
181:     torsion ( -5.404,  15.649,  40.584)  ( -5.404,  15.650,  40.588)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.079,   0.232,   0.602)  ( -0.067,   0.198,   0.513)  ( 0.09,  0.80,  5.37)
181:     vdw     (  9.289,  -7.986, -11.136)  (  9.290,  -7.986, -11.136)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( 66.427, -38.297,  22.022)  ( 66.501, -38.326,  21.831)  ( 0.11,  0.08,  0.86)
181:     bond    (-74.778, 101.329, -42.944)  (-74.750, 101.356, -42.940)  ( 0.04,  0.03,  0.01)
181:     angle   (122.829, -85.985,  43.246)  (122.846, -85.974,  43.248)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.391,  -1.784,  -5.935)  ( -0.390,  -1.782,  -5.918)  ( 0.01,  0.11,  0.29)
181:     oop     ( -0.156,   0.401,   1.216)  ( -0.129,   0.331,   1.004)  ( 0.42,  2.81, 17.45)
181:     vdw     ( 18.922, -52.258,  26.438)  ( 18.925, -52.258,  26.438)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (  3.198,   9.195,  -4.323)  (  3.204,   9.206,  -4.326)  ( 0.19,  0.12,  0.07)
181:     bond    (  0.210,  14.965,  -4.957)  (  0.211,  14.979,  -4.956)  ( 0.00,  0.09,  0.03)
181:     angle   (-14.465,  -0.365,  -1.719)  (-14.461,  -0.365,  -1.719)  ( 0.03,  0.00,  0.00)
181:     torsion (  0.130,  -0.332,  -1.002)  (  0.130,  -0.332,  -0.997)  ( 0.00,  0.02,  0.45)
181:     oop     ( -0.007,   0.018,   0.053)  ( -0.006,   0.015,   0.044)  ( 0.00,  0.01,  0.05)
181:     vdw     ( 17.329,  -5.091,   3.301)  ( 17.330,  -5.090,   3.301)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 17.048, -54.468,  19.577)  ( 17.058, -54.447,  19.617)  ( 0.06,  0.04,  0.21)
181:     bond    ( 38.909, -24.186,  13.345)  ( 38.921, -24.181,  13.346)  ( 0.03,  0.02,  0.01)
181:     angle   ( 26.991,  38.282,  -9.354)  ( 26.993,  38.285,  -9.354)  ( 0.01,  0.01,  0.00)
181:     torsion (  1.051,  -2.570,  -7.725)  (  1.051,  -2.570,  -7.722)  ( 0.01,  0.01,  0.04)
181:     oop     (  0.031,  -0.077,  -0.230)  (  0.026,  -0.065,  -0.195)  ( 0.02,  0.09,  0.82)
181:     vdw     (-49.934, -65.917,  23.541)  (-49.933, -65.916,  23.542)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (278.663,   5.967, 262.660)  (278.204,   9.369, 253.668)  ( 0.16, 57.02,  3.42)
181:     bond    (180.951,  70.243, 137.128)  (180.987,  70.270, 137.138)  ( 0.02,  0.04,  0.01)
181:     angle   ( 82.812, -42.011, 198.186)  ( 82.825, -41.995, 198.196)  ( 0.02,  0.04,  0.01)
181:     torsion ( 18.286,  -3.713, -101.874)  ( 18.286,  -3.712, -101.868)  ( 0.00,  0.03,  0.01)
181:     oop     (  1.318, -11.030,  27.670)  (  0.809,  -7.673,  18.651)  (38.58, 30.44, 32.59)
181:     vdw     ( -4.704,  -7.522,   1.551)  ( -4.704,  -7.521,   1.551)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 84.082, -105.411, -282.117)  ( 84.177, -105.539, -282.518)  ( 0.11,  0.12,  0.14)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h2h_0xw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h2j_0yu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h2m_0yv.sdf
181:     bond    (-11.281, -124.452,  87.022)  (-11.271, -124.418,  87.044)  ( 0.08,  0.03,  0.02)
181:     angle   (160.110,   8.205, -361.401)  (160.118,   8.215, -361.388)  ( 0.00,  0.11,  0.00)
181:     torsion (-43.213, -25.781,   2.923)  (-43.215, -25.781,   2.925)  ( 0.01,  0.00,  0.06)
181:     oop     ( -0.470,   0.957,   2.442)  ( -0.392,   0.785,   2.004)  ( 3.68, 16.40, 17.91)
181:     vdw     (-21.064,  35.661, -13.103)  (-21.063,  35.661, -13.103)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-42.175, -64.158,  24.966)  (-42.160, -64.153,  24.962)  ( 0.04,  0.01,  0.02)
181:     bond    ( 13.563,  -8.815,   6.597)  ( 13.572,  -8.811,   6.599)  ( 0.07,  0.04,  0.03)
181:     angle   (-45.163, -62.520,   9.406)  (-45.161, -62.517,   9.406)  ( 0.00,  0.00,  0.00)
181:     torsion ( -4.924,   6.352,  18.603)  ( -4.924,   6.352,  18.606)  ( 0.01,  0.01,  0.02)
181:     oop     ( -0.021,   0.027,   0.078)  ( -0.018,   0.023,   0.068)  ( 0.01,  0.01,  0.08)
181:     vdw     ( -5.630,   0.799,  -9.718)  ( -5.629,   0.800,  -9.718)  ( 0.02,  0.10,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 67.449, -41.898, -169.761)  ( 67.635, -43.654, -167.348)  ( 0.28,  4.19,  1.42)
181:     bond    ( 97.077, -132.695, -184.757)  ( 97.096, -132.670, -184.735)  ( 0.02,  0.02,  0.01)
181:     angle   ( 16.888,  31.742,  -3.539)  ( 16.903,  31.755,  -3.528)  ( 0.09,  0.04,  0.33)
181:     torsion (-24.977,  16.521,  -6.853)  (-24.976,  16.522,  -6.851)  ( 0.01,  0.01,  0.03)
181:     oop     ( -0.353,   5.757,  -7.625)  ( -0.205,   3.961,  -5.249)  ( 5.25, 31.20, 31.17)
181:     vdw     (-21.185,  36.777,  33.015)  (-21.184,  36.777,  33.015)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-42.589, 167.344, -55.096)  (-43.025, 166.640, -51.907)  ( 1.02,  0.42,  5.79)
181:     bond    (-111.773, 201.469, -32.121)  (-111.748, 201.491, -32.102)  ( 0.02,  0.01,  0.06)
181:     angle   (  5.513, -26.008, -36.202)  (  5.527, -25.993, -36.190)  ( 0.24,  0.06,  0.03)
181:     torsion ( -0.714,  -9.763,  60.169)  ( -0.713,  -9.761,  60.171)  ( 0.06,  0.02,  0.00)
181:     oop     (  1.667,   2.637,  -9.518)  (  1.190,   1.892,  -6.363)  (28.60, 28.23, 33.15)
181:     vdw     ( 62.718,  -0.991, -37.423)  ( 62.719,  -0.989, -37.423)  ( 0.00,  0.21,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-33.512,  23.063,  -3.966)  (-33.501,  23.071,  -3.963)  ( 0.03,  0.03,  0.09)
181:     bond    (-31.077,  20.848,  -2.732)  (-31.067,  20.852,  -2.732)  ( 0.03,  0.02,  0.00)
181:     angle   (-15.774, -26.485, -22.772)  (-15.773, -26.483, -22.770)  ( 0.01,  0.01,  0.01)
181:     torsion (  2.488,   4.108,   3.058)  (  2.488,   4.108,   3.058)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.851,  24.593,  18.480)  ( 10.851,  24.594,  18.480)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( 10.571, -19.110,  36.550)  ( 10.574, -19.105,  36.563)  ( 0.03,  0.03,  0.04)
181:     bond    (  2.555,  -9.282,  29.641)  (  2.555,  -9.281,  29.653)  ( 0.00,  0.01,  0.04)
181:     angle   (  9.571,  -6.146,  -2.748)  (  9.573,  -6.143,  -2.747)  ( 0.03,  0.06,  0.01)
181:     torsion (  3.442, -10.375,  -3.544)  (  3.442, -10.375,  -3.544)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.997,   6.693,  13.201)  ( -4.997,   6.693,  13.201)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 19.423,   7.923,   3.579)  ( 19.832,   8.669,  -1.831)  ( 2.10,  9.42, 151.16)
181:     bond    ( 17.215, -149.752,  27.789)  ( 17.241, -149.732,  27.807)  ( 0.15,  0.01,  0.07)
181:     angle   (  7.197,  94.829, -53.684)  (  7.210,  94.843, -53.673)  ( 0.18,  0.02,  0.02)
181:     torsion (  1.418,   9.176,   1.378)  (  1.419,   9.178,   1.380)  ( 0.04,  0.01,  0.12)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h2o_0yw.sdf
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
177:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
177:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
177:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
177:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
177:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
177:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
177:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
177:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
177:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
177:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
177:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h2t_g5a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h2v_h2v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h30_0zd.sdf
177:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
177:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
177:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 36 # gradients 
179:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
179:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
179:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
179:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
179:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
179:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
179:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
179:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
179:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
179:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
179:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
179:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
179:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
179:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
179:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
179:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
179:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
179:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
179:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
179:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
179:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
179:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
181:     oop     ( -0.780,  -1.502,  11.549)  ( -0.412,  -0.793,   6.107)  (28.72, 47.20, 47.12)
181:     vdw     ( -5.626,  55.172,  16.547)  ( -5.626,  55.173,  16.548)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (  1.060, -29.258, -33.345)  (  1.064, -29.248, -33.337)  ( 0.43,  0.03,  0.02)
181:     bond    ( -0.887, -26.615, -23.717)  ( -0.888, -26.607, -23.711)  ( 0.01,  0.03,  0.03)
181:     angle   (-18.258,  -0.087,   0.779)  (-18.254,  -0.086,   0.780)  ( 0.02,  0.01,  0.11)
181:     torsion (  5.322,  -1.135,   1.073)  (  5.323,  -1.134,   1.074)  ( 0.01,  0.03,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.883,  -1.420, -11.480)  ( 14.883,  -1.420, -11.480)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 13.145,  18.444,  16.037)  ( 11.955,  21.723,  11.825)  ( 9.06, 17.78, 26.26)
181:     bond    (-94.231,  40.802, 117.863)  (-94.212,  40.826, 117.885)  ( 0.02,  0.06,  0.02)
181:     angle   ( 50.490,  12.886, -87.023)  ( 50.504,  12.899, -87.011)  ( 0.03,  0.10,  0.01)
181:     torsion (  8.637,  -1.660,  -3.054)  (  8.638,  -1.660,  -3.052)  ( 0.01,  0.05,  0.05)
181:     oop     (  2.615,  -6.878,   9.013)  (  1.389,  -3.638,   4.766)  (46.87, 47.11, 47.12)
181:     vdw     ( 45.634, -26.705, -20.762)  ( 45.635, -26.705, -20.762)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 13.802,   5.192,  43.786)  ( 13.807,   5.198,  43.798)  ( 0.04,  0.10,  0.03)
181:     bond    (  5.791, -12.703,  30.382)  (  5.791, -12.701,  30.394)  ( 0.00,  0.01,  0.04)
181:     angle   (-16.364,   4.009,   4.793)  (-16.360,   4.012,   4.793)  ( 0.02,  0.05,  0.01)
181:     torsion ( -7.294,   3.616,   2.901)  ( -7.294,   3.617,   2.901)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 31.670,  10.269,   5.710)  ( 31.670,  10.270,   5.710)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-226.813, -179.102,  52.340)  (-221.922, -183.663,  68.873)  ( 2.16,  2.55, 31.59)
181:     bond    (-177.616, -107.417, -25.193)  (-177.588, -107.390, -25.182)  ( 0.02,  0.03,  0.04)
181:     angle   (-45.676, -83.275, 105.305)  (-45.666, -83.266, 105.315)  ( 0.02,  0.01,  0.01)
181:     torsion ( -6.273,  -6.860,   7.241)  ( -6.273,  -6.860,   7.242)  ( 0.01,  0.01,  0.02)
181:     oop     (-10.324,   9.769, -35.043)  ( -5.472,   5.171, -18.531)  (47.00, 47.06, 47.12)
181:     vdw     ( 13.077,   8.681,   0.030)  ( 13.077,   8.682,   0.030)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-14.391,   7.028, -45.466)  (-14.387,   7.032, -45.454)  ( 0.03,  0.07,  0.03)
181:     bond    ( -5.154,  13.357, -29.996)  ( -5.153,  13.359, -29.984)  ( 0.00,  0.02,  0.04)
181:     angle   ( -2.656,  -8.614,  -3.382)  ( -2.652,  -8.612,  -3.381)  ( 0.15,  0.02,  0.02)
181:     torsion (  3.759, -15.013,  -7.335)  (  3.759, -15.012,  -7.334)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.341,  17.298,  -4.754)  (-10.340,  17.298,  -4.754)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( -5.253,  36.842,  25.540)  ( -5.248,  36.851,  25.547)  ( 0.08,  0.03,  0.03)
181:     bond    (  2.097,  29.406,  25.397)  (  2.096,  29.414,  25.403)  ( 0.01,  0.03,  0.02)
181:     angle   ( -4.491,  -4.048,   5.055)  ( -4.486,  -4.047,   5.056)  ( 0.09,  0.03,  0.03)
181:     torsion ( -3.188,   5.779,  -6.429)  ( -3.188,   5.779,  -6.429)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.330,   5.705,   1.517)  (  0.330,   5.705,   1.517)  ( 0.01,  0.00,  0.00)
178/223 Test #177: test_ffmmff94_3 ..................   Passed    1.22 sec
test 182
        Start 182: test_formalcharge_1
182: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "formalcharge" "1"
182: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
182: Environment variables: 
182:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
182:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
182: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h38_0yx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h3a_0yy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h3c_0yz.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( 35.113, -27.798,  -3.420)  ( 35.124, -27.791,  -3.417)  ( 0.03,  0.02,  0.09)
181:     bond    ( 33.176, -19.737,   2.161)  ( 33.186, -19.733,   2.160)  ( 0.03,  0.02,  0.01)
181:     angle   ( -3.776,  -5.907,   4.053)  ( -3.775,  -5.904,   4.056)  ( 0.02,  0.05,  0.07)
181:     torsion (  0.494,   0.030,  -7.310)  (  0.494,   0.030,  -7.309)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.219,  -2.184,  -2.324)  (  5.219,  -2.184,  -2.324)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-17.885,  11.410, -42.928)  (-17.882,  11.416, -42.915)  ( 0.02,  0.05,  0.03)
181:     bond    ( -3.438,   9.943, -31.450)  ( -3.438,   9.945, -31.438)  ( 0.00,  0.01,  0.04)
181:     angle   (-10.542,   1.949,   1.770)  (-10.540,   1.953,   1.770)  ( 0.02,  0.18,  0.02)
181:     torsion (-10.875,   9.024,   4.044)  (-10.875,   9.025,   4.044)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.970,  -9.506, -17.292)  (  6.970,  -9.506, -17.291)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( 95.444,  75.761, -29.268)  ( 91.463,  76.420, -36.087)  ( 4.17,  0.87, 23.30)
181:     bond    ( 79.454,  68.430, -40.021)  ( 79.465,  68.438, -40.019)  ( 0.01,  0.01,  0.01)
181:     angle   (-13.089,   3.160, -20.582)  (-13.088,   3.162, -20.580)  ( 0.01,  0.08,  0.01)
181:     torsion (  5.630,  -0.653,  10.064)  (  5.630,  -0.653,  10.064)  ( 0.00,  0.01,  0.00)
181:     oop     (  8.489,  -1.389,  14.481)  (  4.494,  -0.740,   7.658)  (47.06, 46.69, 47.11)
181:     vdw     ( 14.961,   6.212,   6.789)  ( 14.961,   6.213,   6.789)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (189.454, -110.770,  76.092)  (189.503, -110.748,  75.776)  ( 0.03,  0.02,  0.42)
181:     bond    ( -2.952, -17.848,   0.346)  ( -2.951, -17.815,   0.346)  ( 0.03,  0.18,  0.00)
181:     angle   (134.063, -21.890,  16.377)  (134.071, -21.890,  16.377)  ( 0.01,  0.00,  0.00)
181:     torsion ( -5.870,   1.961,  50.922)  ( -5.870,   1.961,  50.924)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.172,   0.057,   1.440)  ( -0.135,   0.044,   1.123)  ( 0.65,  0.07, 21.99)
181:     vdw     ( 64.385, -73.050,   7.007)  ( 64.387, -73.048,   7.006)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (-114.085, -436.257,  -8.826)  (-114.031, -436.226,  -8.959)  ( 0.05,  0.01,  1.51)
181:     bond    (-43.893, -58.475,  -1.380)  (-43.862, -58.455,  -1.379)  ( 0.07,  0.03,  0.06)
181:     angle   (-17.582, -340.487,  16.912)  (-17.577, -340.471,  16.914)  ( 0.03,  0.00,  0.01)
181:     torsion (  3.958,  -1.494, -32.890)  (  3.958,  -1.494, -32.888)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.137,   0.049,   1.124)  ( -0.120,   0.043,   0.986)  ( 0.23,  0.03, 12.29)
181:     vdw     (-56.431, -35.849,   7.408)  (-56.430, -35.849,   7.408)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (-145.580, 277.134, -34.469)  (-145.559, 277.149, -34.468)  ( 0.01,  0.01,  0.00)
181:     bond    ( 58.595,  46.521,   3.695)  ( 58.611,  46.531,   3.696)  ( 0.03,  0.02,  0.01)
181:     angle   (-126.434, 161.100, -23.313)  (-126.430, 161.103, -23.313)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.371,  -0.199,  -3.388)  (  0.371,  -0.199,  -3.387)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-78.112,  69.712, -11.463)  (-78.110,  69.713, -11.464)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-187.163, -27.561,  60.499)  (-187.130, -27.545,  60.523)  ( 0.02,  0.06,  0.04)
181:     bond    ( 15.389, -25.488, -12.365)  ( 15.417, -25.476, -12.350)  ( 0.18,  0.05,  0.12)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h3f_10o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h3g_10q.sdf
181:     angle   (-175.348, -38.674,  66.261)  (-175.342, -38.668,  66.270)  ( 0.00,  0.01,  0.01)
181:     torsion (-31.171,  14.161,   5.951)  (-31.172,  14.159,   5.949)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.967,  22.439,   0.652)  (  3.967,  22.440,   0.652)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (133.139,  15.824, 156.200)  (133.159,  15.846, 156.232)  ( 0.02,  0.13,  0.02)
181:     bond    (  1.917, -24.367, -14.029)  (  1.935, -24.350, -14.008)  ( 0.91,  0.07,  0.15)
181:     angle   (106.617,   4.098, 150.618)  (106.621,   4.105, 150.629)  ( 0.00,  0.15,  0.01)
181:     torsion ( 35.985,  22.581,  18.000)  ( 35.983,  22.579,  17.999)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.380,  13.512,   1.610)  (-11.380,  13.513,   1.610)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       ( 62.861,  47.608, -92.087)  ( 62.865,  47.613, -92.079)  ( 0.01,  0.01,  0.01)
181:     bond    (-24.635,  43.305, -50.958)  (-24.634,  43.309, -50.951)  ( 0.01,  0.01,  0.01)
181:     angle   ( 70.576,   3.937, -30.777)  ( 70.578,   3.938, -30.776)  ( 0.00,  0.01,  0.00)
181:     torsion ( 21.159,  -0.459, -10.620)  ( 21.158,  -0.459, -10.620)  ( 0.00,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.238,   0.825,   0.267)  ( -4.238,   0.825,   0.267)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       ( 19.472, -70.371, 100.393)  ( 19.480, -70.369, 100.400)  ( 0.04,  0.00,  0.01)
181:     bond    (-48.674, -18.329,  48.688)  (-48.668, -18.329,  48.694)  ( 0.01,  0.00,  0.01)
181:     angle   ( 53.644, -47.965,  35.561)  ( 53.645, -47.964,  35.563)  ( 0.00,  0.00,  0.00)
181:     torsion ( 18.791,  -9.332,  15.268)  ( 18.791,  -9.332,  15.268)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.289,   5.255,   0.875)  ( -4.289,   5.255,   0.875)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( -2.451,  37.590, -114.230)  ( -2.447,  37.597, -114.225)  ( 0.18,  0.02,  0.00)
181:     bond    ( 38.547,  52.842, -29.733)  ( 38.551,  52.849, -29.730)  ( 0.01,  0.01,  0.01)
181:     angle   (-35.447, -11.705, -66.772)  (-35.446, -11.705, -66.769)  ( 0.00,  0.00,  0.00)
181:     torsion ( -8.694,  -5.083, -20.310)  ( -8.695,  -5.083, -20.310)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.143,   1.536,   2.584)  (  3.143,   1.537,   2.584)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (-53.959, -84.045,  72.544)  (-53.957, -84.043,  72.557)  ( 0.00,  0.00,  0.02)
181:     bond    ( 13.120, -10.545,  68.597)  ( 13.120, -10.545,  68.610)  ( 0.00,  0.00,  0.02)
181:     angle   (-50.377, -58.390,   0.659)  (-50.376, -58.387,   0.659)  ( 0.00,  0.00,  0.00)
181:     torsion (-20.091, -17.796,   1.107)  (-20.091, -17.796,   1.107)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.390,   2.685,   2.181)  (  3.390,   2.685,   2.181)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       ( 24.269,  89.804, -56.022)  ( 24.271,  89.808, -56.009)  ( 0.00,  0.01,  0.02)
181:     bond    ( 17.871,   1.513, -55.564)  ( 17.872,   1.513, -55.552)  ( 0.01,  0.02,  0.02)
181:     angle   ( -5.898,  61.600,  -0.220)  ( -5.897,  61.605,  -0.220)  ( 0.01,  0.01,  0.00)
181:     torsion ( 11.599,  28.029,   4.495)  ( 11.598,  28.029,   4.494)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h3i_10v.sdf
179:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
179:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
179:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
179:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
179:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
179:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
179:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
179:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
179:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (  1.702,  -0.982,   0.019)  (  1.706,  -0.964,   0.099)  ( 0.20,  1.69,  0.15)
179:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
179:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
179:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
179:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
179:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.155,   0.173,   0.037)  ( -0.155,   0.173,   0.037)  ( 0.00,  0.00,  0.00)
179: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
179:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
179:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
179:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  2.639,  -0.334,  -0.722)  (  2.643,  -0.333,  -0.718)  ( 0.16,  0.06,  0.35)
179:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
179:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
179:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
182: # Testing molecular formal charges...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h3j_10w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h42_11e.sdf
181:     vdw     (  0.697,  -1.338,  -4.732)  (  0.697,  -1.338,  -4.732)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 24 # gradients 
181: ok 25 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-105.174, -144.268, -14.253)  (-105.139, -144.236, -14.237)  ( 0.03,  0.02,  0.11)
181:     bond    ( 10.278, -33.838,  -0.603)  ( 10.305, -33.816,  -0.603)  ( 0.26,  0.06,  0.04)
181:     angle   (-116.113, -109.997, -17.391)  (-116.106, -109.987, -17.391)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.359,  -0.205,   3.663)  ( -0.358,  -0.205,   3.677)  ( 0.01,  0.00,  0.39)
181:     oop     ( -0.004,  -0.003,   0.036)  ( -0.004,  -0.003,   0.037)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.024,  -0.225,   0.043)  (  1.024,  -0.225,   0.043)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (153.731, -28.974,  22.362)  (153.756, -28.939,  22.490)  ( 0.02,  0.12,  0.57)
181:     bond    (164.318, -90.976,  13.729)  (164.344, -90.949,  13.730)  ( 0.02,  0.03,  0.01)
181:     angle   ( -2.354,  65.055,   3.163)  ( -2.344,  65.069,   3.163)  ( 0.43,  0.02,  0.01)
181:     torsion ( -0.759,  -0.446,   6.049)  ( -0.759,  -0.446,   6.069)  ( 0.02,  0.00,  0.32)
181:     oop     (  0.070,   0.034,  -0.590)  (  0.057,   0.028,  -0.483)  ( 0.09,  0.02,  6.34)
181:     vdw     ( -7.543,  -2.641,   0.012)  ( -7.543,  -2.641,   0.012)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-196.107,  57.985,  24.397)  (-196.048,  58.038,  24.240)  ( 0.03,  0.09,  0.64)
181:     bond    (-125.927, 114.595,  -7.662)  (-125.899, 114.622,  -7.661)  ( 0.02,  0.02,  0.02)
181:     angle   (-10.976, -97.837,  -9.535)  (-10.962, -97.823,  -9.532)  ( 0.13,  0.01,  0.02)
181:     torsion ( -4.310,  -1.339,  47.040)  ( -4.310,  -1.339,  47.053)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.106,  -0.070,   1.089)  ( -0.090,  -0.059,   0.916)  ( 0.17,  0.08, 15.84)
181:     vdw     (-54.788,  42.635,  -6.536)  (-54.787,  42.636,  -6.536)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 21.003, -132.495, -21.471)  ( 21.009, -132.491, -21.075)  ( 0.03,  0.00,  1.85)
181:     bond    ( 25.927, -12.270,   1.359)  ( 25.949, -12.244,   1.360)  ( 0.09,  0.22,  0.03)
181:     angle   ( 35.206, -105.041,  15.337)  ( 35.221, -105.032,  15.339)  ( 0.04,  0.01,  0.01)
181:     torsion (  0.139,  -0.196, -37.773)  (  0.139,  -0.196, -37.760)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.200,   0.174,  -2.187)  (  0.167,   0.142,  -1.805)  ( 0.66,  0.55, 17.44)
181:     vdw     (-40.469, -15.160,   1.792)  (-40.468, -15.160,   1.792)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-36.779, -70.807, -60.582)  (-34.794, -71.395, -56.096)  ( 5.40,  0.83,  7.41)
181:     bond    ( 74.777, -164.063, -84.429)  ( 74.801, -164.041, -84.409)  ( 0.03,  0.01,  0.02)
181:     angle   (-56.723,  75.522,  43.546)  (-56.709,  75.538,  43.556)  ( 0.02,  0.02,  0.02)
181:     torsion (  3.568,  -6.797, -17.456)  (  3.568,  -6.798, -17.454)  ( 0.00,  0.01,  0.01)
181:     oop     ( -4.447,   1.389, -10.142)  ( -2.501,   0.762,  -5.688)  (43.75, 45.13, 43.92)
181:     vdw     (-53.954,  23.142,   7.899)  (-53.953,  23.143,   7.899)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 69.444, 172.988, -10.700)  ( 69.471, 173.014, -10.791)  ( 0.04,  0.02,  0.85)
181:     bond    (-21.543,  30.190,  -0.859)  (-21.529,  30.205,  -0.859)  ( 0.07,  0.05,  0.02)
181:     angle   ( 91.827, 137.422,  14.678)  ( 91.830, 137.425,  14.679)  ( 0.00,  0.00,  0.01)
181:     torsion (  2.672,   2.007, -24.878)  (  2.672,   2.007, -24.874)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.069,  -0.054,   0.642)  ( -0.058,  -0.045,   0.545)  ( 0.07,  0.05,  6.20)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h49_l29.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h4c_10d.sdf
181:     vdw     ( -3.444,   3.422,  -0.282)  ( -3.444,   3.422,  -0.282)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 54.309,  31.278,  -7.125)  ( 52.239,  30.102, -21.105)  ( 3.81,  3.76, 196.20)
181:     bond    ( 77.926,  42.082, 172.758)  ( 77.956,  42.113, 172.767)  ( 0.04,  0.07,  0.01)
181:     angle   (-64.578, -12.164, -200.161)  (-64.567, -12.152, -200.149)  ( 0.02,  0.10,  0.01)
181:     torsion (  8.066,  -4.164, -21.071)  (  8.067,  -4.164, -21.071)  ( 0.00,  0.00,  0.00)
181:     oop     (  5.072,   2.613,  31.589)  (  2.959,   1.395,  17.586)  (41.66, 46.64, 44.33)
181:     vdw     ( 27.823,   2.910,   9.761)  ( 27.824,   2.911,   9.761)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( -2.798,  31.950, -24.954)  ( -2.794,  31.961, -24.949)  ( 0.17,  0.04,  0.02)
181:     bond    (  0.865,  37.377, -18.440)  (  0.865,  37.389, -18.437)  ( 0.02,  0.03,  0.01)
181:     angle   ( 28.069,  -8.888, -16.708)  ( 28.073,  -8.888, -16.706)  ( 0.01,  0.01,  0.01)
181:     torsion (  2.389,  -0.908,  -1.729)  (  2.389,  -0.908,  -1.730)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-34.121,   4.368,  11.923)  (-34.120,   4.368,  11.924)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       ( -2.250,  12.393,  41.148)  ( -2.246,  12.396,  41.161)  ( 0.19,  0.02,  0.03)
181:     bond    (  4.780,   4.268,  30.232)  (  4.780,   4.268,  30.245)  ( 0.00,  0.00,  0.04)
181:     angle   ( 16.232, -17.244,  -0.133)  ( 16.236, -17.241,  -0.133)  ( 0.02,  0.02,  0.00)
181:     torsion ( -5.400,   9.053,  -0.424)  ( -5.400,   9.053,  -0.424)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.862,  16.316,  11.473)  (-17.862,  16.317,  11.473)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  4.355, -18.419, -24.741)  (  5.319, -16.378, -20.159)  (22.12, 11.08, 18.52)
181:     bond    (-102.642, 129.702, -111.077)  (-102.623, 129.728, -111.057)  ( 0.02,  0.02,  0.02)
181:     angle   ( 75.638, -71.325,  99.210)  ( 75.652, -71.312,  99.221)  ( 0.02,  0.02,  0.01)
181:     torsion (  8.695,  -4.828, -10.298)  (  8.695,  -4.827, -10.297)  ( 0.01,  0.01,  0.01)
181:     oop     ( -2.278,  -4.478, -10.233)  ( -1.350,  -2.478,  -5.685)  (40.72, 44.66, 44.45)
181:     vdw     ( 24.943, -67.490,   7.658)  ( 24.944, -67.489,   7.658)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 63.010,  99.225,  20.093)  ( 63.056,  99.274,  19.959)  ( 0.07,  0.05,  0.66)
181:     bond    ( 79.413,  99.565,  30.684)  ( 79.432,  99.585,  30.703)  ( 0.02,  0.02,  0.06)
181:     angle   ( -9.952,  30.935, -40.453)  ( -9.940,  30.948, -40.444)  ( 0.12,  0.04,  0.02)
181:     torsion ( -3.372,  -4.783,  32.081)  ( -3.372,  -4.782,  32.085)  ( 0.02,  0.02,  0.01)
181:     oop     ( -0.063,  -0.069,   0.766)  ( -0.049,  -0.054,   0.602)  ( 0.08,  0.10, 12.59)
181:     vdw     ( -3.016, -26.423,  -2.986)  ( -3.016, -26.422,  -2.986)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       ( 37.547, -27.696,   4.109)  ( 37.556, -27.688,   4.113)  ( 0.03,  0.03,  0.09)
181:     bond    ( 28.298, -24.654, -12.032)  ( 28.305, -24.649, -12.031)  ( 0.02,  0.02,  0.01)
181:     angle   ( 22.190,  33.253, -15.922)  ( 22.192,  33.255, -15.920)  ( 0.01,  0.01,  0.02)
181:     torsion ( -2.195, -14.384,  24.305)  ( -2.195, -14.384,  24.306)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.747, -21.911,   7.758)  (-10.746, -21.910,   7.758)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h4d_10e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h4e_10g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h4m_494.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h4o_506.sdf
181: 13       (-11.344,  26.770,  42.444)  (-11.341,  26.774,  42.458)  ( 0.03,  0.02,  0.03)
181:     bond    (  2.456,   2.184,  29.140)  (  2.456,   2.184,  29.154)  ( 0.00,  0.00,  0.05)
181:     angle   ( -9.382,  12.875,  -0.175)  ( -9.380,  12.879,  -0.175)  ( 0.03,  0.03,  0.00)
181:     torsion (-13.673,  31.478,  -1.206)  (-13.673,  31.478,  -1.206)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.254, -19.767,  14.685)  (  9.255, -19.767,  14.685)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-22.304,   3.401, -47.032)  (-22.301,   3.406, -47.020)  ( 0.02,  0.14,  0.03)
181:     bond    (  2.349, -14.286, -31.725)  (  2.349, -14.284, -31.714)  ( 0.00,  0.02,  0.04)
181:     angle   (  2.309,   3.874,  -1.575)  (  2.312,   3.876,  -1.575)  ( 0.13,  0.05,  0.03)
181:     torsion (-21.642,  16.962,  -9.243)  (-21.642,  16.962,  -9.243)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.320,  -3.149,  -4.488)  ( -5.320,  -3.149,  -4.488)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (  4.077, -33.813,  26.813)  (  4.081, -33.804,  26.821)  ( 0.09,  0.03,  0.03)
181:     bond    ( -6.848, -27.243,  24.405)  ( -6.848, -27.236,  24.411)  ( 0.00,  0.03,  0.02)
181:     angle   (-10.498,   9.945,   8.151)  (-10.495,   9.946,   8.153)  ( 0.03,  0.01,  0.02)
181:     torsion ( 24.181, -10.781,  -5.244)  ( 24.181, -10.780,  -5.244)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.757,  -5.734,  -0.499)  ( -2.757,  -5.734,  -0.499)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 11.733,  55.009,  10.634)  ( 11.749,  55.015,  10.625)  ( 0.13,  0.01,  0.09)
181:     bond    ( -1.222,   0.315,  -0.136)  ( -1.208,   0.316,  -0.136)  ( 1.13,  0.03,  0.00)
181:     angle   ( 14.081,  55.806,   4.778)  ( 14.081,  55.810,   4.778)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.765,  -0.332,   6.032)  ( -0.765,  -0.332,   6.036)  ( 0.01,  0.00,  0.07)
181:     oop     ( -0.007,  -0.003,   0.058)  ( -0.006,  -0.002,   0.045)  ( 0.00,  0.00,  0.08)
181:     vdw     ( -0.355,  -0.778,  -0.098)  ( -0.354,  -0.778,  -0.098)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 10.482,  -3.158,   6.402)  ( 10.492,  -3.140,   6.353)  ( 0.10,  0.57,  0.76)
181:     bond    (  0.414,  -4.930,  -0.217)  (  0.414,  -4.915,  -0.217)  ( 0.01,  0.30,  0.00)
181:     angle   ( 12.011,   0.962,   1.115)  ( 12.015,   0.962,   1.115)  ( 0.03,  0.00,  0.01)
181:     torsion ( -0.601,  -0.285,   5.301)  ( -0.601,  -0.285,   5.307)  ( 0.00,  0.00,  0.10)
181:     oop     ( -0.029,  -0.013,   0.242)  ( -0.022,  -0.010,   0.188)  ( 0.02,  0.00,  1.30)
181:     vdw     ( -1.313,   1.108,  -0.039)  ( -1.312,   1.108,  -0.039)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( 30.780, 158.107,  64.874)  ( 30.139, 157.939,  69.869)  ( 2.08,  0.11,  7.70)
181:     bond    (-95.903,  15.782, -199.133)  (-95.875,  15.805, -199.113)  ( 0.03,  0.14,  0.01)
181:     angle   (118.197, 123.500, 291.853)  (118.211, 123.516, 291.869)  ( 0.01,  0.01,  0.01)
181:     torsion ( -3.589,  -2.850,  -0.620)  ( -3.588,  -2.848,  -0.620)  ( 0.01,  0.08,  0.03)
181:     oop     (  1.121,   0.814, -10.905)  (  0.437,   0.604,  -5.947)  (61.03, 17.03, 45.47)
181:     vdw     ( 10.954,  20.861, -16.321)  ( 10.955,  20.862, -16.320)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-37.631, -20.339, -59.768)  (-37.591, -20.305, -59.727)  ( 0.11,  0.17,  0.07)
181:     bond    (-19.638,  14.035,  -5.470)  (-19.621,  14.046,  -5.441)  ( 0.09,  0.08,  0.52)
181:     angle   (  2.156, -75.195, -60.635)  (  2.166, -75.187, -60.622)  ( 0.48,  0.01,  0.02)
179:     electro ( -0.581,  -0.048,  -0.068)  ( -0.581,  -0.048,  -0.068)  ( 0.00,  0.00,  0.00)
179: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
179:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
179:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
179:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
179:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
179:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
179:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
179:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
179:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
179:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
179:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
179:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
179:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
179:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
179:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
179:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
179:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
179:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h55_bdr.sdf
181:     torsion (-13.317, -12.946,  -5.513)  (-13.310, -12.934,  -5.513)  ( 0.06,  0.09,  0.00)
181:     oop     ( -0.048,  -0.052,   0.010)  ( -0.045,  -0.050,   0.008)  ( 0.02,  0.01,  0.00)
181:     vdw     ( -6.784,  53.819,  11.841)  ( -6.782,  53.820,  11.841)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-154.713, -430.872, -83.506)  (-155.090, -430.681, -83.227)  ( 0.24,  0.04,  0.33)
181:     bond    (-41.612, -139.052,   9.393)  (-41.596, -139.020,   9.422)  ( 0.04,  0.02,  0.31)
181:     angle   (-177.794, -307.617, -108.703)  (-177.788, -307.598, -108.689)  ( 0.00,  0.01,  0.01)
181:     torsion (  9.314,   0.875,   4.567)  (  9.313,   0.875,   4.567)  ( 0.01,  0.00,  0.00)
181:     oop     (  2.243,  -0.776,  -1.306)  (  1.843,  -0.636,  -1.070)  (17.81, 10.85, 18.03)
181:     vdw     ( 53.137,  15.698,  12.543)  ( 53.138,  15.699,  12.543)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 23.892, -31.275,  44.425)  ( 23.897, -31.271,  44.438)  ( 0.02,  0.01,  0.03)
181:     bond    (  3.796,   4.971,  35.728)  (  3.796,   4.971,  35.742)  ( 0.00,  0.00,  0.04)
181:     angle   ( 25.011, -40.894,   3.030)  ( 25.015, -40.891,   3.030)  ( 0.02,  0.01,  0.00)
181:     torsion ( -1.992, -20.942,   3.124)  ( -1.993, -20.942,   3.124)  ( 0.03,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.923,  25.590,   2.541)  ( -2.922,  25.591,   2.542)  ( 0.04,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-51.578,  14.808, -28.254)  (-51.561,  14.816, -28.214)  ( 0.03,  0.05,  0.14)
181:     bond    ( 21.566, -14.742,  79.018)  ( 21.583, -14.732,  79.046)  ( 0.08,  0.07,  0.04)
181:     angle   (-29.990,  22.642, -44.609)  (-29.981,  22.647, -44.598)  ( 0.03,  0.02,  0.03)
181:     torsion ( -7.402,  -9.999,   0.215)  ( -7.394,  -9.985,   0.215)  ( 0.10,  0.14,  0.00)
181:     oop     (  0.114,   0.145,  -0.000)  (  0.097,   0.123,  -0.000)  ( 0.20,  0.31,  0.00)
181:     vdw     (-35.866,  16.762, -62.877)  (-35.865,  16.763, -62.877)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -9.338,  -0.423, -19.364)  ( -9.298,  -0.387, -19.323)  ( 0.42,  1.55,  0.21)
181:     bond    (-22.601,  16.510,  33.915)  (-22.583,  16.521,  33.940)  ( 0.08,  0.07,  0.07)
181:     angle   (  9.256,  -6.399,  21.189)  (  9.262,  -6.395,  21.204)  ( 0.07,  0.06,  0.07)
181:     torsion ( -3.635,  -4.954,   0.185)  ( -3.627,  -4.941,   0.185)  ( 0.21,  0.28,  0.00)
181:     oop     ( -0.037,  -0.049,  -0.001)  ( -0.030,  -0.040,  -0.000)  ( 0.02,  0.04,  0.00)
181:     vdw     (  7.680,  -5.532, -74.653)  (  7.679,  -5.532, -74.651)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 14.625,  -7.992,  -3.371)  ( 14.695,  -7.915,  -3.331)  ( 0.48,  0.96,  1.18)
181:     bond    (-19.694,  14.338,  19.140)  (-19.678,  14.348,  19.169)  ( 0.08,  0.07,  0.15)
181:     angle   (-13.808,  10.641,   1.140)  (-13.800,  10.646,   1.151)  ( 0.06,  0.05,  0.92)
181:     torsion (  2.277,   2.841,   0.060)  (  2.285,   2.855,   0.060)  ( 0.34,  0.48,  0.00)
181:     oop     ( -0.215,  -0.283,  -0.004)  ( -0.179,  -0.235,  -0.003)  ( 0.77,  1.35,  0.00)
181:     vdw     ( 46.065, -35.530, -23.708)  ( 46.065, -35.529, -23.707)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 11.032,  -8.892,   3.661)  ( 11.029,  -8.910,   3.700)  ( 0.03,  0.21,  1.08)
181:     bond    (-43.220,  33.860,  -7.922)  (-43.203,  33.871,  -7.894)  ( 0.04,  0.03,  0.35)
181:     angle   (  5.370,  -2.751, -38.560)  (  5.378,  -2.746, -38.548)  ( 0.15,  0.17,  0.03)
181:     torsion ( -1.231,  -1.470,   0.029)  ( -1.223,  -1.457,   0.029)  ( 0.66,  0.90,  0.00)
181:     oop     (  0.244,   0.314,   0.008)  (  0.207,   0.266,   0.007)  ( 0.90,  1.49,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h58_10z.sdf
181:     vdw     ( 49.870, -38.844,  50.106)  ( 49.870, -38.843,  50.106)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 35.040, -11.112,  -7.538)  ( 35.159, -10.971,  -7.494)  ( 0.34,  1.27,  0.58)
181:     bond    ( -3.115,   5.491, -146.885)  ( -3.097,   5.502, -146.863)  ( 0.59,  0.21,  0.01)
181:     angle   ( 28.451, -22.074,  68.116)  ( 28.456, -22.071,  68.132)  ( 0.02,  0.01,  0.02)
181:     torsion (  6.340,   7.205,  -0.976)  (  6.347,   7.216,  -0.976)  ( 0.10,  0.15,  0.00)
181:     oop     ( -0.524,  -0.680,  -0.024)  ( -0.436,  -0.565,  -0.020)  ( 4.64,  7.85,  0.01)
181:     vdw     (  3.888,  -1.054,  72.231)  (  3.888,  -1.054,  72.233)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( 26.429,   5.628,  15.362)  ( 26.436,   5.634,  15.371)  ( 0.03,  0.10,  0.06)
181:     bond    ( 14.560, -10.532,  14.887)  ( 14.566, -10.528,  14.894)  ( 0.04,  0.03,  0.04)
181:     angle   ( -8.953,   6.848,  13.594)  ( -8.952,   6.849,  13.596)  ( 0.01,  0.01,  0.02)
181:     torsion ( 15.921,  21.527,  -0.353)  ( 15.923,  21.530,  -0.353)  ( 0.01,  0.02,  0.00)
181:     oop     (  0.008,   0.010,  -0.000)  (  0.006,   0.009,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.893, -12.226, -12.766)  (  4.893, -12.226, -12.766)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( -5.528,  11.974,  -8.448)  ( -5.523,  11.977,  -8.440)  ( 0.09,  0.02,  0.10)
181:     bond    (-11.891,   9.551, -11.628)  (-11.885,   9.555, -11.622)  ( 0.05,  0.04,  0.05)
181:     angle   ( -4.069,   3.054,   6.669)  ( -4.068,   3.055,   6.672)  ( 0.02,  0.02,  0.04)
181:     torsion (  3.575,   4.553,   0.087)  (  3.577,   4.556,   0.087)  ( 0.05,  0.07,  0.00)
181:     oop     (  0.025,   0.032,   0.001)  (  0.021,   0.026,   0.001)  ( 0.01,  0.02,  0.00)
181:     vdw     (  6.832,  -5.216,  -3.577)  (  6.832,  -5.216,  -3.577)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( -4.119,  18.843,  76.496)  ( -4.146,  18.806,  76.506)  ( 0.66,  0.19,  0.01)
181:     bond    ( -3.906,   1.114,  49.703)  ( -3.906,   1.113,  49.715)  ( 0.00,  0.01,  0.02)
181:     angle   (-35.531,  27.684,  -3.411)  (-35.530,  27.685,  -3.411)  ( 0.00,  0.00,  0.00)
181:     torsion ( 10.449,  13.670,   0.515)  ( 10.449,  13.671,   0.515)  ( 0.01,  0.01,  0.00)
181:     oop     (  0.184,   0.238,   0.009)  (  0.154,   0.199,   0.008)  ( 0.55,  0.93,  0.00)
181:     vdw     ( 24.685, -23.863,  29.680)  ( 24.686, -23.862,  29.681)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( -5.820,  -7.368,  15.017)  ( -5.823,  -7.374,  15.032)  ( 0.06,  0.08,  0.10)
181:     bond    ( -1.988,   1.341,  17.656)  ( -1.988,   1.342,  17.671)  ( 0.01,  0.01,  0.08)
181:     angle   (  1.111,  -0.844,   0.189)  (  1.113,  -0.843,   0.189)  ( 0.23,  0.12,  0.00)
181:     torsion ( -5.653,  -7.515,  -0.065)  ( -5.651,  -7.512,  -0.065)  ( 0.03,  0.04,  0.00)
181:     oop     (  0.049,   0.065,   0.001)  (  0.041,   0.054,   0.000)  ( 0.04,  0.07,  0.00)
181:     vdw     (  0.661,  -0.415,  -2.763)  (  0.661,  -0.415,  -2.763)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-12.539,   6.067,   5.303)  (-12.546,   6.052,   5.309)  ( 0.06,  0.25,  0.10)
181:     bond    (-12.860,   9.733,   6.528)  (-12.852,   9.738,   6.530)  ( 0.06,  0.05,  0.03)
181:     angle   (  0.009,  -0.020,   0.044)  (  0.009,  -0.020,   0.047)  ( 0.00,  0.00,  0.02)
181:     torsion ( -1.782,  -2.314,  -0.057)  ( -1.780,  -2.311,  -0.057)  ( 0.10,  0.14,  0.00)
181:     oop     (  0.107,   0.140,   0.002)  (  0.089,   0.116,   0.001)  ( 0.19,  0.33,  0.00)
181:     vdw     (  1.988,  -1.472,  -1.213)  (  1.988,  -1.472,  -1.212)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-21.475, -19.086,  14.442)  (-21.268, -19.132,  14.340)  ( 0.96,  0.24,  0.70)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h5e_ipr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h5w_bet.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h6o_nee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h71_pxe.sdf
181:     bond    (-28.227, -40.479, -24.358)  (-28.218, -40.461, -24.351)  ( 0.03,  0.05,  0.03)
181:     angle   ( -7.269,  20.713, -26.004)  ( -7.269,  20.716, -25.999)  ( 0.00,  0.02,  0.02)
181:     torsion (-17.297,   5.979,  10.109)  (-17.297,   5.979,  10.109)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.893,   0.309,   0.519)  ( -0.695,   0.241,   0.405)  (17.64,  2.11,  5.95)
181:     vdw     ( 32.211,  -5.608,  54.175)  ( 32.211,  -5.608,  54.176)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (191.674, 529.624,  17.656)  (191.798, 529.618,  17.621)  ( 0.07,  0.00,  0.20)
181:     bond    ( 58.236, 235.285, -11.641)  ( 58.243, 235.306, -11.617)  ( 0.01,  0.01,  0.20)
181:     angle   (117.848, 263.254,  51.661)  (117.853, 263.265,  51.664)  ( 0.00,  0.00,  0.01)
181:     torsion (  7.170,  -2.214,  -3.132)  (  7.171,  -2.214,  -3.132)  ( 0.02,  0.01,  0.02)
181:     oop     ( -0.723,   0.249,   0.417)  ( -0.612,   0.211,   0.354)  ( 8.03,  0.96,  2.67)
181:     vdw     (  9.142,  33.049, -19.649)  (  9.142,  33.050, -19.648)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (-95.864, -304.195, -16.249)  (-95.834, -304.157, -16.216)  ( 0.03,  0.01,  0.20)
181:     bond    ( -7.830, -283.974, 125.651)  ( -7.811, -283.947, 125.671)  ( 0.25,  0.01,  0.02)
181:     angle   (-63.048, -27.767, -86.024)  (-63.038, -27.756, -86.013)  ( 0.02,  0.04,  0.01)
181:     torsion (  2.136,  -2.699,  -6.132)  (  2.137,  -2.699,  -6.131)  ( 0.06,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-27.123,  10.246, -49.744)  (-27.122,  10.246, -49.743)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (-19.068,  11.021, -38.923)  (-19.063,  11.024, -38.912)  ( 0.03,  0.03,  0.03)
181:     bond    (-21.019,  -1.122, -37.942)  (-21.016,  -1.122, -37.932)  ( 0.01,  0.02,  0.03)
181:     angle   (  3.075,  12.287,  -2.069)  (  3.076,  12.290,  -2.068)  ( 0.05,  0.03,  0.03)
181:     torsion ( -1.170,   0.310,   0.639)  ( -1.170,   0.310,   0.639)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.047,  -0.454,   0.449)  (  0.047,  -0.454,   0.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-16.760,  36.523,  29.211)  (-16.755,  36.531,  29.218)  ( 0.03,  0.02,  0.02)
181:     bond    (-19.545,  27.111,  25.058)  (-19.543,  27.117,  25.063)  ( 0.01,  0.02,  0.02)
181:     angle   (  8.183,  -3.579,  10.250)  (  8.185,  -3.577,  10.252)  ( 0.02,  0.06,  0.02)
181:     torsion (  3.176,   0.660,   1.763)  (  3.177,   0.660,   1.763)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.575,  12.331,  -7.860)  ( -8.574,  12.332,  -7.860)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       ( 47.268,  16.793,  -9.312)  ( 47.281,  16.797,  -9.309)  ( 0.03,  0.03,  0.03)
181:     bond    ( 40.819,  12.299,  -7.273)  ( 40.832,  12.300,  -7.273)  ( 0.03,  0.01,  0.00)
181:     angle   (  4.589,  -6.863,  14.160)  (  4.589,  -6.860,  14.162)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.016,   0.138,   0.323)  (  0.016,   0.138,   0.323)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.844,  11.218, -16.522)  (  1.844,  11.218, -16.521)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 26 # gradients 
181: ok 27 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h76_10b.sdf
179:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
179:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
179:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
179:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
179:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
179:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
179:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
179:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
179:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
179:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
179:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
179:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       ( -0.459,   2.457,  -0.480)  ( -0.460,   2.464,  -0.456)  ( 0.02,  0.30,  1.11)
179:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
179:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
179:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
179:     electro (  0.219,  -0.174,   0.085)  (  0.219,  -0.174,   0.085)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h7c_10h.sdf
181:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
181:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
181:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
181:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
181:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
181:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
181:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
181:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
181:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
181:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
181:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
181:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
181:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
181:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
181:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
181:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
181:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
181:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
181:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
181:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
181:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
181:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
181:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
181:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
181:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
181:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
181:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
181:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
181:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
181:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
181:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h80_04t.sdf
181:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
181:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
181:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
181:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
181:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
181:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
181:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
181:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
181:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
181:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
181:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
181:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
181:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
181:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
181:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
181:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
181:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
181:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
181:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
181:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
181:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
181:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
181:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
181:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
181:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
181:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
181:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
181:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h81_wj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h84_y38.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
181:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
181:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
181:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
181:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
181:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
181:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
181:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
181:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
181:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
181:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
181:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
181:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
181:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
181:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
181:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
181:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
181:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
181:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
181:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
181:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
181:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
181:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
181:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
181:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
181:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
181:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h85_hri.sdf
179: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
179:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
179:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
179:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
179:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
179:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
179:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
179:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
179:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
179:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
179:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
179:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
179:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
179:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h8i_11w.sdf
181:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
181:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
181:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
181:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
181:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
181:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
181:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
181:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
181:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
181:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
181:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
181:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
181:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
181:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
181:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
181:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
181:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
181:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
181:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
181:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
181:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
181:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h96_14q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h97_53s.sdf
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
181:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
181:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
181:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
181:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
181:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
181:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
181:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
181:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
181:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
181:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
181:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
181:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
181:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
181:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
181:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
181:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4h9g_14j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hai_i23.sdf
181: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
181:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
181:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
181:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
181:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
181:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
181:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
181:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
181:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
181:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
181:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
181:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
181:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
181:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
181:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
181:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
181:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
181:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
181:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
181:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
181:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
181:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
181:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
181:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
181:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
181:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
181:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
181:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
181:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 28 # gradients 
181: ok 29 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-163.075, -474.890, -57.206)  (-163.047, -474.859, -57.180)  ( 0.02,  0.01,  0.04)
181:     bond    ( 10.155,  19.969,   0.323)  ( 10.175,  19.991,   0.338)  ( 0.19,  0.11,  0.49)
181:     angle   (-166.513, -477.310, -56.180)  (-166.506, -477.302, -56.172)  ( 0.00,  0.00,  0.01)
181:     torsion (  7.010,  -4.799,  10.158)  (  7.011,  -4.798,  10.160)  ( 0.02,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-13.727, -12.750, -11.507)  (-13.727, -12.750, -11.507)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-185.923,  62.793, 314.602)  (-185.888,  62.822, 314.635)  ( 0.02,  0.05,  0.01)
181:     bond    ( 28.291, -13.551,   9.130)  ( 28.313, -13.535,   9.151)  ( 0.08,  0.11,  0.23)
181:     angle   (-187.741,  52.878, 312.514)  (-187.730,  52.889, 312.523)  ( 0.01,  0.02,  0.00)
181:     torsion (-17.771,  15.168,  -1.323)  (-17.770,  15.170,  -1.320)  ( 0.01,  0.02,  0.21)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.702,   8.298,  -5.719)  ( -8.702,   8.298,  -5.719)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (145.042, 279.559, -217.864)  (145.366, 274.911, -220.980)  ( 0.22,  1.66,  1.43)
181:     bond    (-10.523, -16.759,  19.236)  (-10.498, -16.741,  19.252)  ( 0.24,  0.11,  0.08)
181:     angle   (141.977,  95.083, -322.895)  (141.986,  95.092, -322.885)  ( 0.01,  0.01,  0.00)
181:     torsion ( 12.311, 190.496,  93.133)  ( 12.311, 190.498,  93.135)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.275,   9.366,   7.168)  ( -0.986,   4.689,   4.023)  (22.68, 49.94, 43.87)
181:     vdw     (  2.553,   1.373, -14.505)  (  2.553,   1.373, -14.505)  ( 0.01,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-11.121, 280.261, 332.746)  (-11.095, 280.289, 332.776)  ( 0.24,  0.01,  0.01)
181:     bond    (  3.052, -16.442,  -9.180)  (  3.067, -16.423,  -9.158)  ( 0.51,  0.11,  0.24)
181:     angle   (-10.957, 275.042, 333.586)  (-10.947, 275.050, 333.593)  ( 0.08,  0.00,  0.00)
181:     torsion (  2.849,   6.311,  -2.954)  (  2.851,   6.313,  -2.954)  ( 0.06,  0.03,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.066,  15.350,  11.294)  ( -6.066,  15.350,  11.295)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-407.180, -1026.420, -543.624)  (-403.176, -1014.002, -526.936)  ( 0.98,  1.21,  3.07)
181:     bond    ( 44.303, -89.317, -58.711)  ( 44.329, -89.299, -58.699)  ( 0.06,  0.02,  0.02)
181:     angle   (-180.234, -528.382, 114.838)  (-180.225, -528.371, 114.849)  ( 0.01,  0.00,  0.01)
181:     torsion (-216.277, -471.062, -553.300)  (-216.275, -471.062, -553.302)  ( 0.00,  0.00,  0.00)
181:     oop     ( -9.806, -26.602, -41.203)  ( -5.841, -14.216, -24.535)  (40.44, 46.56, 40.45)
181:     vdw     (-45.164,  88.944,  -5.248)  (-45.164,  88.946,  -5.248)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (561.543, 698.044, 129.649)  (556.715, 692.073, 124.218)  ( 0.86,  0.86,  4.19)
181:     bond    (-28.103, -57.233,  82.338)  (-28.077, -57.213,  82.346)  ( 0.09,  0.04,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
179:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
179:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
179:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
179:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
179:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
179:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
179:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
179:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
179:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
179:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
179:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
179:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
179:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
179:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
179:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hbm_0y7.sdf
181:     angle   (281.089, 416.870, -172.124)  (281.096, 416.881, -172.117)  ( 0.00,  0.00,  0.00)
181:     torsion (240.406, 261.628, 254.450)  (240.408, 261.630, 254.450)  ( 0.00,  0.00,  0.00)
181:     oop     ( 14.615,  15.383,  18.011)  (  9.750,   9.378,  12.564)  (33.29, 39.04, 30.25)
181:     vdw     ( 53.537,  61.395, -53.026)  ( 53.537,  61.396, -53.025)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-662.354, -111.205, 141.994)  (-657.360, -112.857, 138.909)  ( 0.75,  1.49,  2.17)
181:     bond    (-168.069, -26.034,   8.805)  (-168.042, -26.012,   8.811)  ( 0.02,  0.09,  0.07)
181:     angle   (-336.147, -93.011,   9.328)  (-336.136, -93.002,   9.334)  ( 0.00,  0.01,  0.07)
181:     torsion (-252.846, -13.122, 139.543)  (-252.846, -13.121, 139.537)  ( 0.00,  0.01,  0.00)
181:     oop     (-15.508,   5.435,  12.366)  (-10.554,   3.749,   9.275)  (31.95, 31.02, 25.00)
181:     vdw     (110.216,  15.528, -28.048)  (110.219,  15.529, -28.048)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (250.136, -518.519, 549.490)  (247.415, -515.289, 546.478)  ( 1.09,  0.62,  0.55)
181:     bond    (  1.458,  71.116,  68.487)  (  1.475,  71.143,  68.499)  ( 1.21,  0.04,  0.02)
181:     angle   (154.409, -485.366, 569.972)  (154.424, -485.348, 569.983)  ( 0.01,  0.00,  0.00)
181:     torsion ( 34.783,  -7.281, -106.662)  ( 34.783,  -7.282, -106.665)  ( 0.00,  0.01,  0.00)
181:     oop     ( 10.990, -10.864,   8.861)  (  8.236,  -7.681,   5.829)  (25.06, 29.30, 34.22)
181:     vdw     ( 48.496, -86.123,   8.832)  ( 48.497, -86.121,   8.832)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (439.497, 441.908, -1179.811)  (434.517, 434.975, -1176.814)  ( 1.13,  1.57,  0.25)
181:     bond    ( 61.002,  37.800, -126.985)  ( 61.019,  37.811, -126.957)  ( 0.03,  0.03,  0.02)
181:     angle   (488.272, 508.141, -851.857)  (488.299, 508.158, -851.826)  ( 0.01,  0.00,  0.00)
181:     torsion (-69.212, -104.841, -271.849)  (-69.215, -104.847, -271.852)  ( 0.00,  0.01,  0.00)
181:     oop     ( 11.805,  20.515,  -8.930)  (  6.784,  13.558,  -5.990)  (42.54, 33.91, 32.92)
181:     vdw     (-52.371, -19.707,  79.811)  (-52.370, -19.705,  79.812)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-310.545, -438.789, 1524.655)  (-310.723, -442.223, 1511.710)  ( 0.06,  0.78,  0.85)
181:     bond    ( 70.628,  28.998,   6.944)  ( 70.646,  29.024,   6.955)  ( 0.03,  0.09,  0.16)
181:     angle   (-393.833, -564.110, 1041.613)  (-393.811, -564.068, 1041.665)  ( 0.01,  0.01,  0.01)
181:     torsion (107.997,  97.872, 391.223)  (107.999,  97.871, 391.223)  ( 0.00,  0.00,  0.00)
181:     oop     (  1.581,  10.950,  33.987)  (  1.357,   7.451,  20.979)  (14.16, 31.96, 38.27)
181:     vdw     (-96.918, -12.500,  50.888)  (-96.915, -12.500,  50.888)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (425.491, 106.564, -171.779)  (386.458, 106.281, -139.633)  ( 9.17,  0.27, 18.71)
181:     bond    ( -9.197,  36.479,   4.844)  ( -9.178,  36.501,   4.864)  ( 0.21,  0.06,  0.39)
181:     angle   (256.003,  82.383, -340.147)  (256.014,  82.397, -340.136)  ( 0.00,  0.02,  0.00)
181:     torsion (109.631,  15.471, 237.942)  (109.634,  15.472, 237.944)  ( 0.00,  0.01,  0.00)
181:     oop     ( 63.741, -19.452, -68.052)  ( 24.674, -19.772, -35.939)  (61.29,  1.65, 47.19)
181:     vdw     (  5.314,  -8.316,  -6.366)  (  5.314,  -8.316,  -6.366)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (149.932, -39.572, -344.415)  (149.960, -39.544, -344.384)  ( 0.02,  0.07,  0.01)
181:     bond    ( -4.442,   1.405,   6.036)  ( -4.425,   1.422,   6.058)  ( 0.40,  1.19,  0.36)
181:     angle   (150.728, -38.064, -341.656)  (150.736, -38.055, -341.647)  ( 0.01,  0.02,  0.00)
181:     torsion (  2.661,  10.075,  -1.921)  (  2.662,  10.077,  -1.921)  ( 0.05,  0.02,  0.03)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hco_imw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hcq_gn1.sdf
181:     vdw     (  0.986, -12.988,  -6.874)  (  0.986, -12.988,  -6.874)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-71.366, -3248.159, 6275.535)  ( 18.746, -3255.267, 6213.962)  (126.27,  0.22,  0.98)
181:     bond    (-24.751,  -1.393, -11.881)  (-24.732,  -1.375, -11.844)  ( 0.08,  1.31,  0.31)
181:     angle   ( 96.308, -3293.527, 6182.157)  ( 96.347, -3293.377, 6182.697)  ( 0.04,  0.00,  0.01)
181:     torsion ( 35.429, -20.000, -40.923)  ( 35.428, -19.999, -40.925)  ( 0.00,  0.00,  0.01)
181:     oop     (-188.460,  78.650, 129.944)  (-98.405,  71.374,  67.796)  (47.78,  9.25, 47.83)
181:     vdw     ( 10.107, -11.890,  16.238)  ( 10.108, -11.890,  16.238)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-2429.877, -941.912, -3598.395)  (-2440.493, -931.780, -3592.480)  ( 0.44,  1.08,  0.16)
181:     bond    (  5.843,   7.534,  -6.324)  (  5.851,   7.567,  -6.314)  ( 0.13,  0.44,  0.16)
181:     angle   (-2494.865, -915.953, -3613.099)  (-2494.774, -915.935, -3612.911)  ( 0.00,  0.00,  0.01)
181:     torsion ( 12.549,  10.708,  27.711)  ( 12.517,  10.708,  27.682)  ( 0.25,  0.00,  0.10)
181:     oop     ( 38.865, -36.829, -21.148)  ( 28.182, -26.749, -15.402)  (27.49, 27.37, 27.17)
181:     vdw     (  7.730,  -7.371,  14.464)  (  7.730,  -7.371,  14.465)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (2275.150, 4110.172, -2528.710)  (2235.661, 4108.150, -2502.586)  ( 1.74,  0.05,  1.03)
181:     bond    ( -0.918,  -0.369,  -1.437)  ( -0.909,  -0.368,  -1.414)  ( 0.86,  0.06,  1.58)
181:     angle   (2212.532, 4119.830, -2494.022)  (2212.617, 4120.053, -2493.951)  ( 0.00,  0.01,  0.00)
181:     torsion (-23.370,   9.163,  12.638)  (-23.369,   9.163,  12.639)  ( 0.00,  0.00,  0.00)
181:     oop     ( 82.164, -23.441, -46.720)  ( 42.580, -25.687, -20.690)  (48.18,  9.58, 55.71)
181:     vdw     (  4.741,   4.990,   0.830)  (  4.742,   4.990,   0.830)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 29.563, 159.802, -18.007)  ( 29.576, 159.805, -18.005)  ( 0.05,  0.00,  0.01)
181:     bond    (  9.037,  -1.524,  -0.203)  (  9.050,  -1.524,  -0.203)  ( 0.15,  0.03,  0.00)
181:     angle   ( 28.049, 169.417, -21.211)  ( 28.049, 169.420, -21.210)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.210,   0.398,   6.373)  (  0.210,   0.398,   6.374)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.733,  -8.489,  -2.966)  ( -7.733,  -8.489,  -2.966)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (110.511,  89.033, -82.861)  (110.514,  89.041, -82.852)  ( 0.00,  0.01,  0.01)
181:     bond    (  0.003,   1.672,   1.773)  (  0.003,   1.679,   1.780)  ( 0.00,  0.39,  0.41)
181:     angle   (113.837,  88.441, -83.579)  (113.839,  88.441, -83.577)  ( 0.00,  0.00,  0.00)
181:     torsion ( -2.557,   1.919,  -1.806)  ( -2.557,   1.919,  -1.805)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.771,  -2.999,   0.751)  ( -0.771,  -2.998,   0.751)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (164.360,  93.375,  89.660)  (164.363,  93.382,  89.669)  ( 0.00,  0.01,  0.01)
181:     bond    (  0.190,   3.711,  -4.053)  (  0.190,   3.718,  -4.045)  ( 0.00,  0.17,  0.19)
181:     angle   (165.611,  99.178,  98.925)  (165.613,  99.178,  98.927)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.499,  -3.086,  -2.672)  (  3.499,  -3.086,  -2.672)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.940,  -6.429,  -2.540)  ( -4.939,  -6.429,  -2.540)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 23.106,  96.329,  38.306)  ( 23.112,  96.336,  38.316)  ( 0.02,  0.01,  0.03)
181:     bond    (  3.354,  -4.340,   8.483)  (  3.355,  -4.337,   8.493)  ( 0.05,  0.06,  0.12)
181:     angle   ( 24.599,  88.887,  35.672)  ( 24.602,  88.890,  35.672)  ( 0.01,  0.00,  0.00)
181:     torsion (  9.356,  -0.208,  -3.802)  (  9.357,  -0.207,  -3.802)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.202,  11.990,  -2.047)  (-14.202,  11.990,  -2.047)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (106.847,   7.352,  -6.537)  (106.852,   7.358,  -6.526)  ( 0.00,  0.08,  0.17)
181:     bond    (  0.265,  10.534,  16.212)  (  0.265,  10.538,  16.222)  ( 0.00,  0.04,  0.06)
181:     angle   (116.143,   9.693,  -8.196)  (116.147,   9.694,  -8.196)  ( 0.00,  0.01,  0.01)
181:     torsion (-14.500, -13.124,   8.762)  (-14.500, -13.123,   8.762)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.940,   0.249, -23.314)  (  4.940,   0.249, -23.314)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-53.936,   9.882, -76.119)  (-53.930,   9.894, -76.116)  ( 0.01,  0.13,  0.00)
181:     bond    ( -3.527,  -8.677,   1.493)  ( -3.525,  -8.666,   1.493)  ( 0.06,  0.13,  0.03)
181:     angle   (-62.327,  13.662, -67.852)  (-62.324,  13.663, -67.850)  ( 0.00,  0.00,  0.00)
181:     torsion (  9.678,  -4.462,  -3.046)  (  9.678,  -4.462,  -3.046)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.240,   9.359,  -6.714)  (  2.241,   9.359,  -6.713)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-78.890, -72.710, -158.807)  (-78.878, -72.707, -158.804)  ( 0.02,  0.00,  0.00)
181:     bond    (  3.533,  -1.023,  -1.278)  (  3.545,  -1.022,  -1.276)  ( 0.32,  0.09,  0.12)
181:     angle   (-82.209, -82.772, -162.066)  (-82.208, -82.771, -162.064)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.249,   2.761,  -1.520)  (  0.249,   2.761,  -1.519)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.463,   8.324,   6.056)  ( -0.463,   8.325,   6.056)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 54.476, -88.167, -69.420)  ( 54.480, -88.162, -69.409)  ( 0.01,  0.01,  0.02)
181:     bond    ( -3.009,   4.808,  -9.022)  ( -3.008,   4.811,  -9.012)  ( 0.04,  0.06,  0.11)
181:     angle   ( 60.074, -98.874, -72.827)  ( 60.076, -98.872, -72.827)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.594,  -0.810,   0.099)  ( -1.594,  -0.810,   0.099)  ( 0.03,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.995,   6.710,  12.331)  ( -0.995,   6.710,  12.331)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 78.432,  -9.054, -127.914)  ( 78.437,  -9.043, -127.911)  ( 0.01,  0.13,  0.00)
181:     bond    (  0.761,   1.681,   0.278)  (  0.763,   1.693,   0.278)  ( 0.17,  0.67,  0.01)
181:     angle   ( 80.775, -14.566, -132.840)  ( 80.777, -14.566, -132.837)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.481,  -0.260,   0.258)  (  0.482,  -0.259,   0.258)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.585,   4.090,   4.389)  ( -3.585,   4.090,   4.389)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (-51.535,  44.398,  45.791)  (-51.131,  44.805,  46.918)  ( 0.78,  0.92,  2.46)
181:     bond    ( -5.493,  -9.604,   5.333)  ( -5.490,  -9.595,   5.336)  ( 0.06,  0.10,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hct_18r.sdf
181:     angle   (-27.870,   8.136, -14.040)  (-27.867,   8.137, -14.040)  ( 0.01,  0.01,  0.00)
181:     torsion (-20.060,  46.688,  63.308)  (-20.060,  46.688,  63.309)  ( 0.00,  0.00,  0.00)
181:     oop     ( -2.278,  -2.485,  -6.811)  ( -1.880,  -2.088,  -5.689)  (17.47, 15.96, 16.48)
181:     vdw     (  4.166,   1.663,  -1.999)  (  4.167,   1.663,  -1.999)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (139.004, -88.908, -249.742)  (137.065, -87.642, -246.362)  ( 1.39,  1.42,  1.35)
181:     bond    ( -4.791,  -1.212,  -2.309)  ( -4.779,  -1.211,  -2.306)  ( 0.24,  0.06,  0.12)
181:     angle   ( -5.602, -26.885,  25.728)  ( -5.602, -26.882,  25.729)  ( 0.00,  0.01,  0.00)
181:     torsion (141.462, -55.192, -264.132)  (141.462, -55.192, -264.135)  ( 0.00,  0.00,  0.00)
181:     oop     (  5.926,  -3.391, -10.499)  (  3.975,  -2.129,  -7.119)  (32.92, 37.22, 32.19)
181:     vdw     (  2.008,  -2.228,   1.470)  (  2.008,  -2.228,   1.470)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-100.572, -46.189,  20.393)  (-97.540, -41.908,  19.841)  ( 3.01,  9.27,  2.70)
181:     bond    ( -2.799,   0.425, -11.770)  ( -2.798,   0.426, -11.755)  ( 0.03,  0.00,  0.12)
181:     angle   (-15.348,  37.830,   5.022)  (-15.346,  37.831,   5.022)  ( 0.01,  0.00,  0.00)
181:     torsion (-75.920, -74.809,  15.364)  (-75.922, -74.812,  15.364)  ( 0.00,  0.00,  0.00)
181:     oop     ( -7.652, -11.933,   1.389)  ( -4.622,  -7.649,   0.823)  (39.60, 35.90, 40.75)
181:     vdw     (  1.147,   2.297,  10.387)  (  1.147,   2.297,  10.387)  ( 0.02,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-336.241, 574.483, -339.541)  (-334.757, 575.588, -337.085)  ( 0.44,  0.19,  0.72)
181:     bond    (  3.945,   0.719,  -2.690)  (  3.955,   0.720,  -2.685)  ( 0.25,  0.03,  0.17)
181:     angle   (-310.864, 492.121, -326.047)  (-310.851, 492.147, -326.037)  ( 0.00,  0.01,  0.00)
181:     torsion (-22.615,  92.362,  -8.563)  (-22.615,  92.362,  -8.562)  ( 0.00,  0.00,  0.01)
181:     oop     ( -4.712,  -5.306,  -8.363)  ( -3.252,  -4.227,  -5.923)  (30.98, 20.34, 29.17)
181:     vdw     ( -1.995,  -5.414,   6.122)  ( -1.995,  -5.413,   6.122)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       (-15.151,   2.263,  81.298)  (-15.139,   2.270,  81.302)  ( 0.08,  0.34,  0.00)
181:     bond    ( 19.096,  11.184,   2.759)  ( 19.107,  11.188,   2.759)  ( 0.05,  0.03,  0.01)
181:     angle   (-18.411,   8.591,  92.628)  (-18.410,   8.594,  92.630)  ( 0.01,  0.03,  0.00)
181:     torsion ( -8.884,  12.396,  11.251)  ( -8.884,  12.397,  11.251)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.952, -29.909, -25.340)  ( -6.952, -29.908, -25.339)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-41.569, -30.088, 123.256)  (-41.566, -30.074, 123.259)  ( 0.01,  0.05,  0.00)
181:     bond    ( -0.641,   4.990,   0.937)  ( -0.641,   5.004,   0.937)  ( 0.02,  0.26,  0.05)
181:     angle   (-51.949, -30.836, 129.092)  (-51.947, -30.835, 129.094)  ( 0.00,  0.00,  0.00)
181:     torsion (  7.939,   0.218,   4.263)  (  7.940,   0.218,   4.263)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.082,  -4.461, -11.036)  (  3.082,  -4.461, -11.036)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-92.387,  60.898,  62.401)  (-92.381,  60.901,  62.412)  ( 0.01,  0.01,  0.02)
181:     bond    (  2.122,  -1.132,   4.187)  (  2.125,  -1.131,   4.197)  ( 0.13,  0.07,  0.25)
181:     angle   (-96.594,  67.358,  67.047)  (-96.591,  67.360,  67.047)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.211,  -2.108,   0.045)  ( -1.211,  -2.108,   0.045)  ( 0.01,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hd8_pit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hda_stl.sdf
179:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
179:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
179:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
179:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
179:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
179:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
179:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
179:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
179:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
179:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
179:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
179:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
179:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
182: ok 1
182: 1..1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hdc_13y.sdf
181:     vdw     (  3.296,  -3.220,  -8.878)  (  3.296,  -3.220,  -8.878)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (  1.956,  69.960, 117.238)  (  1.968,  69.963, 117.241)  ( 0.62,  0.01,  0.00)
181:     bond    ( -3.614,  -1.283,   0.787)  ( -3.602,  -1.282,   0.788)  ( 0.33,  0.12,  0.05)
181:     angle   (  2.595,  69.724, 125.283)  (  2.595,  69.726, 125.285)  ( 0.01,  0.00,  0.00)
181:     torsion ( -1.096,   2.248,  -1.352)  ( -1.096,   2.249,  -1.352)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.071,  -0.730,  -7.481)  (  4.071,  -0.730,  -7.481)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( 55.911, -53.509, -77.574)  ( 55.901, -53.490, -77.584)  ( 0.02,  0.04,  0.01)
181:     bond    (  2.467,   6.482,  -2.894)  (  2.470,   6.500,  -2.890)  ( 0.11,  0.29,  0.13)
181:     angle   ( 68.061, -54.217, -63.765)  ( 68.059, -54.217, -63.767)  ( 0.00,  0.00,  0.00)
181:     torsion (-10.559,  -0.725, -10.654)  (-10.569,  -0.725, -10.664)  ( 0.10,  0.00,  0.10)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.059,  -5.049,  -0.262)  ( -4.059,  -5.049,  -0.262)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 30 # gradients 
181: ok 31 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 76.598, -137.678, -29.141)  ( 76.810, -137.346, -29.823)  ( 0.28,  0.24,  2.34)
181:     bond    ( 90.698,   4.504,  26.887)  ( 90.717,   4.522,  26.905)  ( 0.02,  0.40,  0.07)
181:     angle   (  1.623, -114.544, -45.076)  (  1.632, -114.533, -45.068)  ( 0.56,  0.01,  0.02)
181:     torsion ( -0.161,   1.696,   0.297)  ( -0.162,   1.695,   0.296)  ( 0.00,  0.09,  0.02)
181:     oop     ( -1.255,  -2.021,   4.821)  ( -1.071,  -1.717,   4.113)  (14.66, 15.01, 14.68)
181:     vdw     (-14.307, -27.313, -16.070)  (-14.307, -27.312, -16.070)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-152.928, 235.846,  12.867)  (-153.710, 234.463,  16.343)  ( 0.51,  0.59, 27.02)
181:     bond    ( 18.688, 120.062,  50.687)  ( 18.719, 120.102,  50.695)  ( 0.16,  0.03,  0.02)
181:     angle   (-160.218, 103.423,  16.382)  (-160.193, 103.435,  16.386)  ( 0.02,  0.01,  0.03)
181:     torsion (  5.513,  10.248, -27.387)  (  5.513,  10.248, -27.383)  ( 0.00,  0.00,  0.01)
181:     oop     (  4.728,   8.056, -19.476)  (  3.891,   6.620, -16.015)  (17.71, 17.82, 17.77)
181:     vdw     (-21.640,  -5.943,  -7.340)  (-21.639,  -5.943,  -7.340)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-20.273, -42.385,   1.840)  (-20.269, -42.372,   1.841)  ( 0.02,  0.03,  0.07)
181:     bond    (-14.015, -41.334,   3.370)  (-14.014, -41.322,   3.369)  ( 0.01,  0.03,  0.00)
181:     angle   (  3.142,  -1.541,  -5.821)  (  3.144,  -1.541,  -5.819)  ( 0.08,  0.02,  0.04)
181:     torsion ( -1.299,   0.808,   4.512)  ( -1.299,   0.808,   4.511)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.100,  -0.318,  -0.220)  ( -8.100,  -0.318,  -0.220)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-39.832,  20.635,  23.062)  (-39.825,  20.640,  23.068)  ( 0.02,  0.03,  0.03)
181:     bond    (-24.926,  24.974,  25.987)  (-24.922,  24.978,  25.992)  ( 0.02,  0.02,  0.02)
181:     angle   ( 15.098,   9.421,   5.421)  ( 15.099,   9.423,   5.422)  ( 0.01,  0.02,  0.03)
181:     torsion (  0.391,   2.228,  -1.766)  (  0.391,   2.227,  -1.766)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179/223 Test #182: test_formalcharge_1 ..............   Passed    0.09 sec
test 183
        Start 183: test_format_1
183: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "format" "1"
183: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
183: Environment variables: 
183:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
183:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
183: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hee_14r.sdf
181:     vdw     (-30.394, -15.988,  -6.580)  (-30.393, -15.988,  -6.581)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( -7.315,   8.380, -46.059)  ( -7.312,   8.382, -46.046)  ( 0.04,  0.03,  0.03)
181:     bond    ( -4.168,  14.030, -42.962)  ( -4.168,  14.031, -42.950)  ( 0.00,  0.01,  0.03)
181:     angle   ( -2.135,  -0.984,  -0.114)  ( -2.132,  -0.982,  -0.114)  ( 0.13,  0.17,  0.00)
181:     torsion (  0.677,  -4.782,  -1.628)  (  0.677,  -4.782,  -1.628)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.689,   0.115,  -1.355)  ( -1.689,   0.115,  -1.355)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (  4.958,  25.627,  23.772)  (  5.299,  26.233,  22.406)  ( 6.88,  2.36,  5.74)
181:     bond    (-21.244,  25.105,   5.717)  (-21.230,  25.124,   5.718)  ( 0.06,  0.08,  0.02)
181:     angle   ( 48.589,  35.818,  23.035)  ( 48.594,  35.820,  23.036)  ( 0.01,  0.01,  0.01)
181:     torsion (  0.668,   0.795,  -1.016)  (  0.668,   0.796,  -1.015)  ( 0.00,  0.01,  0.08)
181:     oop     ( -1.540,  -2.789,   6.534)  ( -1.219,  -2.206,   5.165)  (20.84, 20.91, 20.95)
181:     vdw     (-21.515, -33.302, -10.497)  (-21.514, -33.301, -10.497)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (334.388, -338.993, 147.058)  (335.030, -337.932, 144.745)  ( 0.19,  0.31,  1.57)
181:     bond    (245.959, -148.392,  15.324)  (245.992, -148.360,  15.334)  ( 0.01,  0.02,  0.06)
181:     angle   (112.192, -138.270, -14.395)  (112.209, -138.258, -14.391)  ( 0.02,  0.01,  0.03)
181:     torsion (-32.536, -52.538, 128.814)  (-32.536, -52.537, 128.821)  ( 0.00,  0.00,  0.01)
181:     oop     ( -3.401,  -6.088,  13.818)  ( -2.811,  -5.072,  11.483)  (17.33, 16.68, 16.89)
181:     vdw     ( 12.174,   6.296,   3.499)  ( 12.175,   6.296,   3.499)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( -8.811, 126.417, -29.683)  ( -8.901, 126.178, -29.189)  ( 1.03,  0.19,  1.66)
181:     bond    (-53.853,  48.848,  13.498)  (-53.841,  48.858,  13.499)  ( 0.02,  0.02,  0.00)
181:     angle   (  9.070,   9.509,   1.761)  (  9.073,   9.511,   1.763)  ( 0.03,  0.02,  0.07)
181:     torsion ( 11.812,  29.617, -60.086)  ( 11.812,  29.617, -60.084)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.707,   1.694,  -3.314)  (  0.601,   1.442,  -2.824)  ( 7.48, 14.87, 14.78)
181:     vdw     ( 23.453,  36.748,  18.458)  ( 23.454,  36.749,  18.458)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-1129.448, 408.109, 803.258)  (-1125.406, 411.794, 805.177)  ( 0.36,  0.90,  0.24)
181:     bond    (-103.997, -219.107, -21.476)  (-103.967, -219.084, -21.459)  ( 0.03,  0.01,  0.08)
181:     angle   (-985.550, 675.773, 895.974)  (-985.487, 675.798, 896.010)  ( 0.01,  0.00,  0.00)
181:     torsion (-26.441, -47.964, -67.461)  (-26.439, -47.965, -67.460)  ( 0.01,  0.00,  0.00)
181:     oop     (-14.976, -16.611, -10.251)  (-11.030, -12.972,  -8.386)  (26.35, 21.91, 18.19)
181:     vdw     (  1.516,  16.018,   6.470)  (  1.516,  16.018,   6.470)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  8.029, -76.726, 190.394)  (  9.000, -73.463, 192.664)  (12.09,  4.25,  1.19)
181:     bond    ( 15.804,  -6.508, 213.853)  ( 15.823,  -6.489, 213.880)  ( 0.12,  0.29,  0.01)
181:     angle   (  9.137, -63.701,  54.991)  (  9.152, -63.687,  55.003)  ( 0.17,  0.02,  0.02)
181:     torsion (-28.028, -14.619, -75.931)  (-28.027, -14.619, -75.931)  ( 0.00,  0.00,  0.00)
181:     oop     ( -2.980,  -7.720,  -5.117)  ( -2.045,  -4.489,  -2.888)  (31.36, 41.85, 43.56)
181:     vdw     ( 14.096,  15.821,   2.599)  ( 14.097,  15.821,   2.599)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hej_14d.sdf
181: 11       (544.685, -647.845, 1144.815)  (544.894, -657.097, 1142.418)  ( 0.04,  1.43,  0.21)
181:     bond    (-40.591, 144.077, -20.199)  (-40.554, 144.089, -20.173)  ( 0.09,  0.01,  0.13)
181:     angle   (535.295, -1038.003, 1214.776)  (535.321, -1037.947, 1214.846)  ( 0.00,  0.01,  0.01)
181:     torsion ( 63.501, 230.066, -53.972)  ( 63.502, 230.066, -53.971)  ( 0.00,  0.00,  0.00)
181:     oop     ( -7.658,   9.010,   0.631)  ( -7.513,  -0.311,  -1.864)  ( 1.89, 103.45, 157.50)
181:     vdw     ( -5.862,   7.006,   3.579)  ( -5.862,   7.006,   3.579)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-25.017, -39.696, -27.520)  (-25.013, -39.690, -27.509)  ( 0.02,  0.01,  0.04)
181:     bond    ( -6.707, -23.865, -40.222)  ( -6.707, -23.862, -40.212)  ( 0.00,  0.01,  0.02)
181:     angle   (-28.615, -11.370,  11.517)  (-28.612, -11.367,  11.518)  ( 0.01,  0.02,  0.01)
181:     torsion ( -9.304, -13.104,   9.328)  ( -9.303, -13.104,   9.328)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 19.609,   8.643,  -8.142)  ( 19.610,   8.643,  -8.142)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( 14.290, -30.906,   7.031)  ( 14.305, -30.891,   7.038)  ( 0.10,  0.05,  0.10)
181:     bond    ( 22.217, -114.854,  49.575)  ( 22.229, -114.844,  49.577)  ( 0.05,  0.01,  0.01)
181:     angle   (-20.686,  71.228, -58.832)  (-20.684,  71.233, -58.828)  ( 0.01,  0.01,  0.01)
181:     torsion ( 13.827,   0.411,  30.482)  ( 13.827,   0.411,  30.482)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.068,  12.309, -14.194)  ( -1.067,  12.309, -14.194)  ( 0.06,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (450.743, 515.255, -2323.120)  (436.192, 499.530, -2328.636)  ( 3.23,  3.05,  0.24)
181:     bond    ( 50.241,  79.598, -257.048)  ( 50.261,  79.608, -256.999)  ( 0.04,  0.01,  0.02)
181:     angle   (369.051, 422.919, -2133.459)  (369.088, 422.948, -2133.288)  ( 0.01,  0.01,  0.01)
181:     torsion ( 28.006, -43.443,  37.340)  ( 28.009, -43.441,  37.342)  ( 0.01,  0.00,  0.00)
181:     oop     ( 50.745,  61.195,  23.986)  ( 36.133,  45.430,  18.249)  (28.80, 25.76, 23.92)
181:     vdw     (-47.301,  -5.015,   6.060)  (-47.300,  -5.015,   6.061)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 51.105,  27.669,  35.997)  ( 51.110,  27.681,  36.000)  ( 0.01,  0.05,  0.01)
181:     bond    (  1.170,  30.496,   9.172)  (  1.170,  30.509,   9.173)  ( 0.01,  0.04,  0.01)
181:     angle   ( 49.658,  -2.031,   0.416)  ( 49.663,  -2.031,   0.418)  ( 0.01,  0.01,  0.09)
181:     torsion (  2.337,  -6.343,  20.800)  (  2.338,  -6.343,  20.800)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.061,   5.547,   5.609)  ( -2.060,   5.547,   5.609)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 17.575,  15.812,  76.004)  ( 27.725,  27.937,  79.728)  (57.75, 76.69,  4.90)
181:     bond    (-11.511,  -7.156,  55.081)  (-11.510,  -7.156,  55.112)  ( 0.01,  0.00,  0.06)
181:     angle   ( 72.532,  34.099,  19.577)  ( 72.536,  34.101,  19.577)  ( 0.01,  0.01,  0.00)
181:     torsion ( -1.053,  22.384,   2.687)  ( -1.052,  22.384,   2.687)  ( 0.08,  0.00,  0.00)
181:     oop     (-25.920, -32.157,  -9.588)  (-15.777, -20.034,  -5.896)  (39.13, 37.70, 38.51)
181:     vdw     (-16.473,  -1.358,   8.248)  (-16.473,  -1.358,   8.248)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-124.436, 149.496, -73.657)  (-124.401, 149.529, -73.624)  ( 0.03,  0.02,  0.05)
181:     bond    (-54.298,  27.135, -21.123)  (-54.277,  27.153, -21.103)  ( 0.04,  0.07,  0.09)
181:     angle   (-55.131,  89.961, -34.878)  (-55.117,  89.975, -34.865)  ( 0.03,  0.02,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4heu_15j.sdf
181:     torsion (-16.136,  28.776, -14.773)  (-16.135,  28.777, -14.772)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.128,   3.624,  -2.884)  (  1.128,   3.624,  -2.884)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-116.990, -319.865, -110.155)  (-116.611, -313.758, -110.031)  ( 0.32,  1.91,  0.11)
181:     bond    (-13.024, -77.021, -88.008)  (-12.998, -77.001, -87.986)  ( 0.20,  0.03,  0.02)
181:     angle   (-117.161, -96.461, -91.911)  (-117.145, -96.444, -91.894)  ( 0.01,  0.02,  0.02)
181:     torsion ( 15.485, -125.268,  65.785)  ( 15.484, -125.267,  65.785)  ( 0.00,  0.00,  0.00)
181:     oop     ( -3.885, -13.509,   2.412)  ( -3.548,  -7.439,   2.497)  ( 8.67, 44.93,  3.51)
181:     vdw     (  1.595,  -7.606,   1.567)  (  1.595,  -7.606,   1.567)  ( 0.04,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (  3.054, -23.873,   4.399)  (  3.084, -23.844,   4.428)  ( 0.96,  0.12,  0.68)
181:     bond    (-38.663,  58.600,  73.249)  (-38.645,  58.618,  73.268)  ( 0.05,  0.03,  0.03)
181:     angle   ( 39.290, -91.035, -16.476)  ( 39.300, -91.026, -16.467)  ( 0.02,  0.01,  0.06)
181:     torsion (-13.830,   1.214,  -8.197)  (-13.828,   1.216,  -8.196)  ( 0.01,  0.09,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 16.257,   7.348, -44.177)  ( 16.257,   7.348, -44.176)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 24.770, -40.809,  19.275)  ( 24.799, -40.780,  19.305)  ( 0.12,  0.07,  0.15)
181:     bond    (-65.790, -42.791, -42.397)  (-65.771, -42.772, -42.379)  ( 0.03,  0.04,  0.04)
181:     angle   ( 59.888,   6.868,  55.833)  ( 59.898,   6.877,  55.842)  ( 0.02,  0.13,  0.02)
181:     torsion ( 14.868, -26.408,   5.091)  ( 14.869, -26.407,   5.093)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 15.803,  21.522,   0.748)  ( 15.803,  21.523,   0.748)  ( 0.00,  0.00,  0.02)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (175.072, 307.178, 222.264)  (171.760, 306.584, 225.028)  ( 1.89,  0.19,  1.24)
181:     bond    (-18.691,  91.685,  -4.967)  (-18.677,  91.723,  -4.945)  ( 0.08,  0.04,  0.46)
181:     angle   (177.843, 227.696, 192.642)  (177.853, 227.714, 192.653)  ( 0.01,  0.01,  0.01)
181:     torsion ( 15.791,   8.817,  10.030)  ( 15.789,   8.817,  10.029)  ( 0.01,  0.00,  0.01)
181:     oop     ( 18.033,   3.483, -15.083)  ( 14.697,   2.832, -12.352)  (18.50, 18.67, 18.10)
181:     vdw     (-17.903, -24.503,  39.642)  (-17.902, -24.502,  39.643)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (  1.947,  34.327,  35.635)  (  1.953,  34.333,  35.647)  ( 0.28,  0.02,  0.03)
181:     bond    ( -1.983,  13.556,  23.274)  ( -1.983,  13.560,  23.284)  ( 0.00,  0.03,  0.04)
181:     angle   ( 23.714,  18.764,  -8.910)  ( 23.718,  18.767,  -8.909)  ( 0.02,  0.01,  0.01)
181:     torsion (-41.237,  -3.500,  -1.473)  (-41.237,  -3.500,  -1.473)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 21.453,   5.506,  22.745)  ( 21.455,   5.507,  22.745)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-95.827, -365.974, -154.353)  (-95.148, -365.799, -154.908)  ( 0.71,  0.05,  0.36)
181:     bond    ( -0.397, -74.774, -11.245)  ( -0.385, -74.751, -11.230)  ( 0.50,  0.03,  0.13)
181:     angle   (-97.730, -272.875, -154.775)  (-97.726, -272.862, -154.770)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.280,  -0.075,   1.110)  ( -1.279,  -0.075,   1.111)  ( 0.04,  0.00,  0.03)
181:     oop     ( -5.427,  -1.063,   4.722)  ( -4.765,  -0.925,   4.146)  (12.21, 12.95, 12.20)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
179:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
179:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
179:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
179:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
179:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
179:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
179:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
179:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
179:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
179:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
179:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
179:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
179:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
179:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hev_axm.sdf
181:     vdw     (  9.007, -17.186,   5.835)  (  9.007, -17.185,   5.835)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 19.888, -34.478,  16.641)  ( 19.895, -34.471,  16.646)  ( 0.04,  0.02,  0.03)
181:     bond    ( 24.111, -23.901,  16.691)  ( 24.116, -23.896,  16.693)  ( 0.02,  0.02,  0.02)
181:     angle   (-12.220, -17.328,  -7.151)  (-12.218, -17.326,  -7.150)  ( 0.01,  0.01,  0.02)
181:     torsion ( -0.732,   0.033,   1.104)  ( -0.732,   0.033,   1.104)  ( 0.01,  0.00,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.729,   6.718,   5.998)  (  8.729,   6.718,   5.998)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 10.450,  21.570, -36.828)  ( 10.456,  21.576, -36.821)  ( 0.06,  0.03,  0.02)
181:     bond    ( 19.250,  20.288, -23.061)  ( 19.254,  20.292, -23.056)  ( 0.02,  0.02,  0.02)
181:     angle   (-17.588,  -6.430, -20.346)  (-17.587,  -6.429, -20.345)  ( 0.01,  0.02,  0.01)
181:     torsion (  0.083,  -0.103,  -0.020)  (  0.084,  -0.103,  -0.020)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.706,   7.816,   6.600)  (  8.706,   7.816,   6.600)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-28.753,  26.112,  20.990)  (-28.749,  26.119,  20.998)  ( 0.02,  0.03,  0.04)
181:     bond    (-13.126,  21.965,  25.899)  (-13.124,  21.970,  25.906)  ( 0.01,  0.02,  0.03)
181:     angle   (-26.990,  -6.648,  -8.036)  (-26.987,  -6.647,  -8.035)  ( 0.01,  0.02,  0.01)
181:     torsion ( -0.164,   1.531,  -1.382)  ( -0.164,   1.531,  -1.382)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.526,   9.265,   4.509)  ( 11.526,   9.265,   4.509)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( 20.537, -29.022,  23.780)  ( 20.545, -29.015,  23.784)  ( 0.04,  0.03,  0.02)
181:     bond    ( 24.834, -23.991,  13.351)  ( 24.840, -23.986,  13.352)  ( 0.02,  0.02,  0.01)
181:     angle   ( -6.292,   6.628,  23.610)  ( -6.291,   6.629,  23.612)  ( 0.02,  0.02,  0.01)
181:     torsion ( -6.259,  -5.825,   1.181)  ( -6.259,  -5.824,   1.181)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.254,  -5.834, -14.362)  (  8.254,  -5.834, -14.362)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-43.374,  -6.951, -15.471)  (-43.366,  -6.946, -15.466)  ( 0.02,  0.08,  0.03)
181:     bond    (-26.465, -20.050, -18.073)  (-26.458, -20.046, -18.070)  ( 0.03,  0.02,  0.02)
181:     angle   (-22.465,  13.906,  17.462)  (-22.463,  13.907,  17.463)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.086,   6.316,  -5.417)  ( -1.086,   6.316,  -5.417)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.642,  -7.123,  -9.443)  (  6.642,  -7.123,  -9.443)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 15.948,  34.448, -19.332)  ( 15.953,  34.454, -19.324)  ( 0.03,  0.02,  0.04)
181:     bond    ( 16.798,  19.680, -23.891)  ( 16.801,  19.684, -23.884)  ( 0.02,  0.02,  0.03)
181:     angle   (-10.822,  23.211,  11.518)  (-10.821,  23.214,  11.520)  ( 0.01,  0.01,  0.01)
181:     torsion (  5.216,  -0.584,   3.188)  (  5.217,  -0.584,   3.188)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.757,  -7.860, -10.148)  (  4.757,  -7.860, -10.147)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (163.604, 126.954, 197.382)  (163.610, 126.977, 197.389)  ( 0.00,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hf4_15h.sdf
181:     bond    (-17.713,  74.435,  -9.634)  (-17.711,  74.458,  -9.633)  ( 0.01,  0.03,  0.01)
181:     angle   (116.974,  46.100, 141.246)  (116.977,  46.100, 141.250)  ( 0.00,  0.00,  0.00)
181:     torsion (  6.965,   0.874,  -6.054)  (  6.965,   0.874,  -6.054)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 57.378,   5.546,  71.824)  ( 57.379,   5.546,  71.826)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-145.350,  50.635, -141.965)  (-143.708,  50.990, -143.276)  ( 1.13,  0.70,  0.92)
181:     bond    (  1.016,   4.265,   2.313)  (  1.017,   4.290,   2.320)  ( 0.14,  0.59,  0.32)
181:     angle   (-79.797,  65.627, -86.381)  (-79.793,  65.629, -86.377)  ( 0.00,  0.00,  0.00)
181:     torsion ( -5.607,  -1.263,   4.795)  ( -5.607,  -1.263,   4.794)  ( 0.01,  0.00,  0.01)
181:     oop     ( -7.179,  -1.487,   5.896)  ( -5.542,  -1.159,   4.573)  (22.81, 22.04, 22.44)
181:     vdw     (-53.784, -16.507, -68.588)  (-53.783, -16.507, -68.586)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 32 # gradients 
181: ok 33 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 58.134, -10.875,  -0.081)  ( 58.181, -10.849,  -0.045)  ( 0.08,  0.25,  0.29)
181:     bond    ( 73.768, -13.768,   0.023)  ( 73.796, -13.759,   0.044)  ( 0.04,  0.07,  0.05)
181:     angle   ( 49.990,  -9.420,  -0.117)  ( 50.007,  -9.416,  -0.108)  ( 0.03,  0.05,  0.11)
181:     torsion (  0.011,   0.023,  -0.030)  (  0.011,   0.036,  -0.024)  ( 0.00,  0.03,  0.02)
181:     oop     (  0.000,   0.002,  -0.002)  (  0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-65.635,  12.288,   0.045)  (-65.634,  12.288,   0.045)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( 17.936,  -8.798,  14.818)  ( 17.982,  -8.750,  14.845)  ( 0.26,  0.55,  0.18)
181:     bond    ( 92.410, -51.103, -50.286)  ( 92.439, -51.094, -50.266)  ( 0.03,  0.02,  0.04)
181:     angle   (-30.881,  18.740,  19.424)  (-30.868,  18.746,  19.435)  ( 0.04,  0.03,  0.06)
181:     torsion ( -1.948, -10.270,   6.861)  ( -1.947, -10.256,   6.867)  ( 0.03,  0.13,  0.09)
181:     oop     ( -0.022,  -0.118,   0.078)  ( -0.019,  -0.099,   0.066)  ( 0.01,  0.23,  0.10)
181:     vdw     (-41.623,  33.953,  38.741)  (-41.622,  33.954,  38.742)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 15.352,  -1.265, -23.223)  ( 15.386,  -1.280, -23.156)  ( 0.22,  1.16,  0.29)
181:     bond    ( 13.918, -47.527, -68.607)  ( 13.946, -47.517, -68.587)  ( 0.20,  0.02,  0.03)
181:     angle   (-38.335,   4.459,  -1.411)  (-38.321,   4.465,  -1.400)  ( 0.04,  0.13,  0.81)
181:     torsion (  2.965,  11.890,  -8.461)  (  2.966,  11.904,  -8.455)  ( 0.02,  0.11,  0.07)
181:     oop     (  0.050,   0.265,  -0.177)  (  0.041,   0.221,  -0.147)  ( 0.04,  1.17,  0.53)
181:     vdw     ( 36.754,  29.647,  55.432)  ( 36.754,  29.648,  55.433)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-40.712,   7.792,   0.007)  (-40.667,   7.823,   0.043)  ( 0.11,  0.40,  0.03)
181:     bond    (-109.736,  20.629,   0.231)  (-109.709,  20.639,   0.252)  ( 0.02,  0.05,  0.48)
181:     angle   ( 17.485,  -3.318,  -0.068)  ( 17.501,  -3.312,  -0.059)  ( 0.09,  0.20,  0.06)
181:     torsion ( -0.039,   0.145,  -0.122)  ( -0.038,   0.157,  -0.115)  ( 0.00,  0.17,  0.08)
181:     oop     ( -0.002,  -0.010,   0.005)  ( -0.001,  -0.008,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 51.579,  -9.654,  -0.040)  ( 51.581,  -9.653,  -0.039)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 14.400,  -3.793,  22.280)  ( 14.450,  -3.723,  22.291)  ( 0.34,  1.86,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hfn_ciy.sdf
181:     bond    ( 29.904,  39.139,  68.212)  ( 29.932,  39.148,  68.232)  ( 0.09,  0.02,  0.03)
181:     angle   (-37.521,   9.674,   1.433)  (-37.508,   9.680,   1.444)  ( 0.03,  0.07,  0.80)
181:     torsion ( -1.400, -11.441,   7.947)  ( -1.399, -11.427,   7.953)  ( 0.03,  0.12,  0.08)
181:     oop     ( -0.045,  -0.241,   0.160)  ( -0.037,  -0.200,   0.133)  ( 0.03,  0.98,  0.42)
181:     vdw     ( 23.462, -40.924, -55.472)  ( 23.462, -40.924, -55.471)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 20.073,   0.769, -14.669)  ( 20.113,   0.780, -14.618)  ( 0.20,  0.86,  0.34)
181:     bond    (104.923,  13.970,  49.896)  (104.952,  13.980,  49.916)  ( 0.03,  0.07,  0.04)
181:     angle   (-35.503,  -6.310, -19.372)  (-35.489,  -6.305, -19.361)  ( 0.04,  0.08,  0.06)
181:     torsion (  1.762,   9.580,  -6.418)  (  1.763,   9.594,  -6.412)  ( 0.02,  0.14,  0.09)
181:     oop     (  0.020,   0.108,  -0.072)  (  0.017,   0.091,  -0.061)  ( 0.01,  0.18,  0.08)
181:     vdw     (-51.130, -16.580, -38.702)  (-51.129, -16.579, -38.701)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 35.266,  -6.336,  -0.207)  ( 35.310,  -6.298,  -0.180)  ( 0.12,  0.59,  0.57)
181:     bond    ( 27.589,  -4.880,  -0.212)  ( 27.616,  -4.858,  -0.203)  ( 0.10,  0.44,  0.17)
181:     angle   ( 11.180,  -2.101,   0.012)  ( 11.195,  -2.091,   0.018)  ( 0.14,  0.46,  0.01)
181:     torsion ( -0.002,  -0.016,   0.003)  ( -0.002,  -0.011,   0.015)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.501,   0.661,  -0.010)  ( -3.500,   0.662,  -0.009)  ( 0.04,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-67.073,  -4.316,  14.211)  (-67.033,  -4.278,  14.239)  ( 0.06,  0.89,  0.20)
181:     bond    (-28.824, -42.695,  28.615)  (-28.796, -42.676,  28.622)  ( 0.10,  0.04,  0.03)
181:     angle   ( -8.910, -51.456,  31.603)  ( -8.899, -51.445,  31.607)  ( 0.12,  0.02,  0.01)
181:     torsion (  0.402,   2.129,   3.572)  (  0.402,   2.134,   3.587)  ( 0.01,  0.25,  0.41)
181:     oop     ( -0.001,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.008)  ( 0.00,  0.00,  0.00)
181:     vdw     (-29.740,  87.712, -49.570)  (-29.740,  87.714, -49.569)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (252.726, 124.577, -102.566)  (252.769, 124.618, -102.539)  ( 0.02,  0.03,  0.03)
181:     bond    ( -4.102,  -5.208,   3.529)  ( -4.072,  -5.183,   3.537)  ( 0.72,  0.48,  0.24)
181:     angle   (190.866,  62.770, -58.735)  (190.879,  62.781, -58.731)  ( 0.01,  0.02,  0.01)
181:     torsion ( -0.008,  -0.046,  -0.082)  ( -0.008,  -0.041,  -0.069)  ( 0.00,  0.02,  0.11)
181:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 65.970,  67.061, -47.275)  ( 65.971,  67.062, -47.275)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-228.789,  42.830,   0.196)  (-228.758,  42.865,   0.217)  ( 0.01,  0.08,  0.40)
181:     bond    (-23.988,   4.534,  -0.038)  (-23.972,   4.563,  -0.027)  ( 0.07,  0.64,  0.04)
181:     angle   (-243.722,  45.545,   0.214)  (-243.707,  45.548,   0.216)  ( 0.01,  0.01,  0.03)
181:     torsion (  0.006,   0.031,   0.048)  (  0.006,   0.034,   0.056)  ( 0.00,  0.01,  0.04)
181:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 38.914,  -7.281,  -0.030)  ( 38.915,  -7.281,  -0.030)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (190.044, -207.691, 102.032)  (190.089, -207.650, 102.060)  ( 0.02,  0.02,  0.03)
181:     bond    ( -2.495,   6.201,  -3.435)  ( -2.461,   6.222,  -3.426)  ( 1.33,  0.34,  0.25)
181:     angle   (155.225, -127.437,  58.396)  (155.236, -127.424,  58.400)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.012,  -0.067,  -0.118)  ( -0.012,  -0.062,  -0.105)  ( 0.00,  0.03,  0.15)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hfr_14m.sdf
181:     oop     ( -0.001,  -0.004,  -0.006)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 37.327, -86.385,  47.195)  ( 37.327, -86.383,  47.195)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-60.187,  27.700, -13.820)  (-60.146,  27.735, -13.795)  ( 0.07,  0.13,  0.18)
181:     bond    (-10.799,  49.795, -28.441)  (-10.771,  49.815, -28.434)  ( 0.25,  0.04,  0.03)
181:     angle   ( 10.364,  51.026, -31.537)  ( 10.376,  51.036, -31.533)  ( 0.12,  0.02,  0.01)
181:     torsion ( -0.390,  -2.077,  -3.496)  ( -0.390,  -2.071,  -3.481)  ( 0.01,  0.25,  0.42)
181:     oop     (  0.002,   0.008,   0.013)  (  0.001,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     (-59.364, -71.052,  49.642)  (-59.362, -71.051,  49.643)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( -0.582,   7.403,  -4.825)  ( -0.574,   7.413,  -4.817)  ( 0.48,  0.13,  0.17)
181:     bond    (  6.712,   7.382,  -5.157)  (  6.717,   7.388,  -5.154)  ( 0.08,  0.09,  0.06)
181:     angle   ( -8.182,   5.707,  -2.478)  ( -8.180,   5.708,  -2.478)  ( 0.03,  0.02,  0.01)
181:     torsion ( -0.038,  -0.202,  -0.342)  ( -0.038,  -0.201,  -0.338)  ( 0.00,  0.03,  0.13)
181:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.927,  -5.481,   3.157)  (  0.927,  -5.481,   3.157)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-56.958,  -6.366,  10.362)  (-56.952,  -6.354,  10.368)  ( 0.01,  0.18,  0.06)
181:     bond    ( -5.954,  11.782,  -6.350)  ( -5.952,  11.792,  -6.347)  ( 0.04,  0.08,  0.05)
181:     angle   (-53.718, -18.080,  16.780)  (-53.714, -18.080,  16.780)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.017,   0.088,   0.147)  (  0.017,   0.089,   0.150)  ( 0.00,  0.01,  0.04)
181:     oop     (  0.000,   0.000,   0.001)  (  0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.697,  -0.156,  -0.215)  (  2.697,  -0.156,  -0.215)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( -9.625, -15.532, -18.122)  ( -9.591, -15.488, -18.101)  ( 0.34,  0.28,  0.12)
181:     bond    (-59.579, -42.061, -79.510)  (-59.561, -42.043, -79.491)  ( 0.03,  0.04,  0.02)
181:     angle   ( 48.208,  11.512,  31.711)  ( 48.218,  11.520,  31.720)  ( 0.02,  0.07,  0.03)
181:     torsion ( -3.549,  -1.214,   3.285)  ( -3.548,  -1.211,   3.286)  ( 0.03,  0.28,  0.05)
181:     oop     ( -0.015,  -0.082,   0.055)  ( -0.013,  -0.068,   0.045)  ( 0.00,  0.12,  0.05)
181:     vdw     (  5.311,  16.313,  26.338)  (  5.312,  16.313,  26.338)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-58.385,  10.937,   0.090)  (-58.367,  10.941,   0.094)  ( 0.03,  0.04,  0.04)
181:     bond    (-50.199,   9.397,   0.031)  (-50.181,   9.397,   0.030)  ( 0.04,  0.00,  0.00)
181:     angle   (  0.005,   0.027,   0.040)  (  0.005,   0.028,   0.044)  ( 0.00,  0.00,  0.01)
181:     torsion ( -0.003,  -0.020,   0.011)  ( -0.003,  -0.018,   0.012)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.188,   1.535,   0.008)  ( -8.188,   1.535,   0.008)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-49.770,  31.442,  33.871)  (-49.762,  31.448,  33.884)  ( 0.02,  0.02,  0.04)
181:     bond    (-19.987,  26.705,  34.335)  (-19.984,  26.711,  34.344)  ( 0.02,  0.02,  0.03)
181:     angle   (  8.426,   1.110,   4.041)  (  8.430,   1.110,   4.042)  ( 0.05,  0.01,  0.02)
181:     torsion ( -0.173,  -0.918,   0.610)  ( -0.173,  -0.915,   0.611)  ( 0.00,  0.20,  0.06)
181:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (-38.038,   4.533,  -5.108)  (-38.037,   4.533,  -5.107)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hge_15v.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( -3.379,  17.606,  18.634)  ( -3.351,  17.623,  18.673)  ( 0.84,  0.10,  0.21)
181:     bond    (-40.343,  60.834,  79.794)  (-40.326,  60.853,  79.813)  ( 0.04,  0.03,  0.02)
181:     angle   ( 40.876, -28.301, -31.675)  ( 40.887, -28.294, -31.666)  ( 0.03,  0.03,  0.03)
181:     torsion ( -2.934,   2.121,  -3.092)  ( -2.933,   2.124,  -3.090)  ( 0.05,  0.15,  0.05)
181:     oop     (  0.014,   0.074,  -0.049)  (  0.011,   0.061,  -0.041)  ( 0.00,  0.09,  0.04)
181:     vdw     ( -0.992, -17.122, -26.344)  ( -0.991, -17.122, -26.343)  ( 0.08,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-57.727, -11.202, -33.706)  (-57.717, -11.194, -33.695)  ( 0.02,  0.07,  0.03)
181:     bond    (-28.238, -17.597, -34.196)  (-28.231, -17.594, -34.186)  ( 0.02,  0.01,  0.03)
181:     angle   (  7.423,  -4.071,  -4.039)  (  7.426,  -4.070,  -4.038)  ( 0.04,  0.02,  0.02)
181:     torsion (  0.171,   0.926,  -0.620)  (  0.171,   0.928,  -0.619)  ( 0.00,  0.21,  0.06)
181:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.009,   0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (-37.082,   9.551,   5.142)  (-37.081,   9.551,   5.142)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( -3.086,  -6.733,   4.771)  ( -3.080,  -6.722,   4.778)  ( 0.18,  0.17,  0.14)
181:     bond    (  3.610,  -9.358,   5.158)  (  3.612,  -9.348,   5.162)  ( 0.04,  0.11,  0.06)
181:     angle   ( -9.573,  -2.338,   2.462)  ( -9.570,  -2.338,   2.462)  ( 0.04,  0.01,  0.01)
181:     torsion (  0.035,   0.184,   0.307)  (  0.035,   0.185,   0.311)  ( 0.00,  0.02,  0.12)
181:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.842,   4.777,  -3.160)  (  2.842,   4.777,  -3.160)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-50.786,  26.653, -10.315)  (-50.777,  26.662, -10.309)  ( 0.02,  0.03,  0.06)
181:     bond    ( -9.730,  -8.776,   6.304)  ( -9.723,  -8.770,   6.307)  ( 0.07,  0.06,  0.05)
181:     angle   (-43.615,  36.322, -16.724)  (-43.613,  36.324, -16.723)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.012,  -0.064,  -0.108)  ( -0.012,  -0.063,  -0.105)  ( 0.00,  0.01,  0.03)
181:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.571,  -0.830,   0.211)  (  2.571,  -0.830,   0.211)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( 18.552, -36.973,  15.506)  ( 18.557, -36.964,  15.511)  ( 0.03,  0.02,  0.04)
181:     bond    ( 19.795, -29.611,  20.399)  ( 19.798, -29.604,  20.402)  ( 0.02,  0.02,  0.02)
181:     angle   (  2.872,  -9.105, -16.001)  (  2.874,  -9.104, -15.999)  ( 0.06,  0.02,  0.01)
181:     torsion ( -4.473,  -0.508,   3.603)  ( -4.472,  -0.508,   3.603)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.357,   2.251,   7.504)  (  0.357,   2.251,   7.504)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 36.577,  15.060, -24.810)  ( 36.584,  15.067, -24.806)  ( 0.02,  0.05,  0.02)
181:     bond    ( 27.162,  26.884, -15.139)  ( 27.168,  26.890, -15.137)  ( 0.02,  0.02,  0.01)
181:     angle   (  2.427,  -9.455, -12.439)  (  2.428,  -9.453, -12.436)  ( 0.05,  0.01,  0.02)
181:     torsion (  6.153,  -6.780,  -0.999)  (  6.153,  -6.779,  -0.999)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.835,   4.410,   3.766)  (  0.835,   4.410,   3.766)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-11.279,  28.142,  28.721)  (-11.271,  28.148,  28.729)  ( 0.06,  0.02,  0.03)
181:     bond    (-22.714,  19.690,  26.873)  (-22.710,  19.693,  26.879)  ( 0.02,  0.02,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hgf_syn.sdf
179:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
179:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
179:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
179:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
179:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
179:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
179:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
179:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
179:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
179:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
179:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
179:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
179:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
179:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
179:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hgl_0yo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hgs_15g.sdf
181:     angle   (-25.556,  -5.794, -17.347)  (-25.554,  -5.793, -17.346)  ( 0.01,  0.03,  0.01)
181:     torsion (  0.856,   6.699,  -4.185)  (  0.856,   6.700,  -4.185)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 36.135,   7.547,  23.381)  ( 36.136,   7.547,  23.381)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 30.867,  27.740, -15.486)  ( 30.875,  27.745, -15.480)  ( 0.03,  0.02,  0.04)
181:     bond    ( 29.150,  20.548, -20.555)  ( 29.157,  20.551, -20.551)  ( 0.02,  0.02,  0.02)
181:     angle   (  5.951,   7.443,  15.888)  (  5.952,   7.445,  15.890)  ( 0.02,  0.03,  0.01)
181:     torsion ( -3.753,   1.953,  -3.371)  ( -3.753,   1.953,  -3.371)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.482,  -2.204,  -7.448)  ( -0.482,  -2.204,  -7.448)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-20.778, -21.871, -28.929)  (-20.769, -21.868, -28.921)  ( 0.04,  0.02,  0.03)
181:     bond    (-28.443, -10.256, -26.879)  (-28.436, -10.256, -26.873)  ( 0.02,  0.01,  0.02)
181:     angle   (-21.731,  14.745,  17.364)  (-21.729,  14.747,  17.365)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.517,  -6.225,   3.980)  ( -1.517,  -6.224,   3.980)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 30.913, -20.135, -23.394)  ( 30.913, -20.135, -23.394)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( 28.514, -27.461,  24.727)  ( 28.519, -27.450,  24.731)  ( 0.01,  0.04,  0.02)
181:     bond    ( 15.752, -34.951,  15.142)  ( 15.753, -34.941,  15.143)  ( 0.01,  0.03,  0.01)
181:     angle   (  5.736,   7.985,  12.454)  (  5.737,   7.985,  12.456)  ( 0.03,  0.01,  0.02)
181:     torsion (  7.864,   3.952,   0.936)  (  7.865,   3.952,   0.936)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.837,  -4.447,  -3.804)  ( -0.837,  -4.446,  -3.804)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 34 # gradients 
181: ok 35 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-90.675, -167.099, -64.344)  (-87.455, -178.051, -63.759)  ( 3.55,  6.55,  0.91)
181:     bond    (-33.270, -17.000, -46.382)  (-33.242, -16.994, -46.354)  ( 0.08,  0.04,  0.06)
181:     angle   (-62.913, -173.302, -32.437)  (-62.903, -173.290, -32.425)  ( 0.02,  0.01,  0.03)
181:     torsion (  6.086, -15.462,   0.527)  (  6.087, -15.461,   0.527)  ( 0.01,  0.01,  0.01)
181:     oop     ( -8.054,  28.772,  -1.032)  ( -4.873,  17.801,  -0.487)  (39.50, 38.13, 52.84)
181:     vdw     (  7.475,   9.893,  14.979)  (  7.476,   9.893,  14.979)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-103.146,  41.250,  84.469)  (-103.105,  45.401,  84.027)  ( 0.04, 10.06,  0.52)
181:     bond    (-30.404, -27.951, -31.777)  (-30.376, -27.932, -31.758)  ( 0.09,  0.07,  0.06)
181:     angle   (-31.174,  77.031,  52.648)  (-31.161,  77.043,  52.663)  ( 0.04,  0.02,  0.03)
181:     torsion ( -4.894,   4.019,   4.600)  ( -4.893,   4.020,   4.601)  ( 0.02,  0.03,  0.02)
181:     oop     ( -0.033, -10.860,   1.008)  ( -0.033,  -6.741,   0.530)  ( 0.00, 37.93, 47.45)
181:     vdw     (-36.642,  -0.989,  57.990)  (-36.641,  -0.988,  57.991)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-62.268, -66.625,  80.948)  (-60.276, -70.837,  80.021)  ( 3.20,  6.32,  1.15)
181:     bond    ( 20.613,  26.346,  38.389)  ( 20.632,  26.366,  38.415)  ( 0.09,  0.08,  0.07)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hhy_15r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hhz_15s.sdf
179: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
179:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
179:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
179:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
179:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
179:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
179:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
179:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
179:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
179:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
179:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
179:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
179:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
179:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
181:     angle   (-17.393, -79.455,  -0.302)  (-17.378, -79.443,  -0.289)  ( 0.08,  0.02,  0.39)
181:     torsion ( -4.249,  -5.163,   1.764)  ( -4.248,  -5.162,   1.765)  ( 0.03,  0.03,  0.04)
181:     oop     ( -4.557,  10.144,   2.339)  ( -2.602,   5.897,   1.371)  (42.91, 41.86, 41.37)
181:     vdw     (-56.682, -18.496,  38.758)  (-56.680, -18.496,  38.759)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( -5.276, 111.452,  24.795)  ( -9.577, 124.457,  23.520)  (81.52, 11.67,  5.14)
181:     bond    (  5.718, -13.679,   1.610)  (  5.745, -13.670,   1.639)  ( 0.49,  0.07,  1.86)
181:     angle   ( -4.728, 149.502,  36.591)  ( -4.717, 149.515,  36.602)  ( 0.23,  0.01,  0.03)
181:     torsion ( -4.261,  13.887,  -0.390)  ( -4.260,  13.888,  -0.390)  ( 0.01,  0.01,  0.01)
181:     oop     ( 10.173, -30.870,   2.958)  (  5.833, -17.888,   1.640)  (42.67, 42.05, 44.54)
181:     vdw     (-12.177,  -7.388, -15.973)  (-12.177,  -7.388, -15.972)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (102.097, -25.297, -59.457)  (102.166, -29.987, -58.713)  ( 0.07, 18.54,  1.25)
181:     bond    ( 25.868,  27.546,  31.723)  ( 25.896,  27.565,  31.742)  ( 0.11,  0.07,  0.06)
181:     angle   ( 24.790, -68.458, -33.211)  ( 24.803, -68.446, -33.196)  ( 0.05,  0.02,  0.05)
181:     torsion (  3.373,  -3.168,  -4.940)  (  3.374,  -3.167,  -4.939)  ( 0.03,  0.04,  0.02)
181:     oop     ( -0.050,  11.256,  -1.573)  ( -0.023,   6.533,  -0.866)  ( 0.14, 41.96, 44.95)
181:     vdw     ( 48.115,   7.528, -51.455)  ( 48.116,   7.528, -51.453)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 79.570,  81.165, -78.597)  ( 78.042,  84.901, -77.656)  ( 1.92,  4.60,  1.20)
181:     bond    (-19.273, -25.557, -37.733)  (-19.254, -25.537, -37.706)  ( 0.10,  0.08,  0.07)
181:     angle   ( 29.490,  90.204,  -7.490)  ( 29.505,  90.216,  -7.477)  ( 0.05,  0.01,  0.17)
181:     torsion (  3.940,   6.176,  -2.944)  (  3.941,   6.178,  -2.943)  ( 0.03,  0.02,  0.02)
181:     oop     (  3.919,  -9.828,  -2.445)  (  2.355,  -6.125,  -1.545)  (39.91, 37.67, 36.82)
181:     vdw     ( 61.493,  20.170, -27.985)  ( 61.495,  20.171, -27.985)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-43.204, -52.831, -65.365)  (-40.815, -56.811, -63.752)  ( 5.53,  7.53,  2.47)
181:     bond    (  0.620,   1.263,   1.049)  (  0.640,   1.284,   1.072)  ( 1.25,  1.69,  2.16)
181:     angle   (-13.478, -60.077, -32.968)  (-13.467, -60.067, -32.957)  ( 0.08,  0.02,  0.03)
181:     torsion ( -0.041,   0.026,   0.006)  ( -0.041,   0.027,   0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -5.566,   9.470,  -3.724)  ( -3.208,   5.458,  -2.146)  (42.36, 42.37, 42.38)
181:     vdw     (-24.739,  -3.513, -29.728)  (-24.739,  -3.513, -29.727)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (590.421, -413.338, -453.174)  (588.830, -410.163, -454.033)  ( 0.27,  0.77,  0.19)
181:     bond    (281.609, -267.251, -266.649)  (281.625, -267.221, -266.622)  ( 0.01,  0.01,  0.01)
181:     angle   (301.536, -151.745, -201.468)  (301.544, -151.733, -201.459)  ( 0.00,  0.01,  0.00)
181:     torsion ( -3.751,   8.569,  -5.610)  ( -3.751,   8.569,  -5.608)  ( 0.00,  0.00,  0.03)
181:     oop     (  4.159,  -7.991,   2.085)  (  2.544,  -4.858,   1.187)  (38.83, 39.21, 43.09)
181:     vdw     (  6.867,   5.080,  18.468)  (  6.868,   5.080,  18.469)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-252.186,  46.511, 376.531)  (-252.182,  46.516, 376.551)  ( 0.00,  0.01,  0.01)
181:     bond    (-119.597, -128.814, 352.507)  (-119.596, -128.812, 352.526)  ( 0.00,  0.00,  0.01)
181:     angle   (-145.561, 173.633,  14.064)  (-145.558, 173.636,  14.065)  ( 0.00,  0.00,  0.01)
181:     torsion (  3.858,  -1.278,   0.842)  (  3.858,  -1.278,   0.842)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hib_16b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hiq_16v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hj2_lz6.sdf
181:     vdw     (  9.114,   2.971,   9.118)  (  9.114,   2.971,   9.118)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-174.814, 414.517, 106.449)  (-174.811, 414.541, 106.453)  ( 0.00,  0.01,  0.00)
181:     bond    (-38.911, 392.669, -61.048)  (-38.912, 392.692, -61.049)  ( 0.00,  0.01,  0.00)
181:     angle   (-127.613,  12.252, 160.145)  (-127.610,  12.252, 160.149)  ( 0.00,  0.00,  0.00)
181:     torsion ( -2.732,  -0.720,  -2.890)  ( -2.732,  -0.720,  -2.890)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.557,  10.317,  10.242)  ( -5.557,  10.317,  10.242)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-20.966, -20.102,   4.975)  (-20.928, -20.032,   4.860)  ( 0.18,  0.35,  2.30)
181:     bond    (-41.860,  12.275,   5.586)  (-41.836,  12.302,   5.588)  ( 0.06,  0.22,  0.04)
181:     angle   ( 69.839, -39.509, -31.067)  ( 69.854, -39.497, -31.064)  ( 0.02,  0.03,  0.01)
181:     torsion ( -0.189,  -6.630,  19.989)  ( -0.189,  -6.629,  20.004)  ( 0.00,  0.01,  0.08)
181:     oop     (  0.011,  -0.185,   0.813)  (  0.009,  -0.153,   0.679)  ( 0.00,  0.58, 10.96)
181:     vdw     (-48.767,  13.946,   9.654)  (-48.766,  13.946,   9.654)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-48.581,  -9.470, -19.172)  (-48.539,  -9.460, -19.017)  ( 0.09,  0.10,  0.81)
181:     bond    ( -0.522,  -5.772,  -1.974)  ( -0.494,  -5.746,  -1.972)  ( 1.41,  0.45,  0.11)
181:     angle   ( -0.732,  44.691,  10.937)  ( -0.720,  44.702,  10.937)  ( 0.94,  0.03,  0.01)
181:     torsion ( -0.099,   3.487, -16.209)  ( -0.099,   3.488, -16.189)  ( 0.00,  0.03,  0.12)
181:     oop     ( -0.009,   0.183,  -0.813)  ( -0.008,   0.154,  -0.681)  ( 0.00,  0.55, 10.78)
181:     vdw     (-47.219, -52.059, -11.113)  (-47.218, -52.058, -11.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (  9.293, -180.393, -83.284)  (  9.342, -180.430, -82.952)  ( 0.53,  0.02,  0.40)
181:     bond    ( 24.471,  24.991,   4.696)  ( 24.500,  25.014,   4.698)  ( 0.12,  0.09,  0.05)
181:     angle   ( 25.642, -148.454, -38.576)  ( 25.652, -148.439, -38.575)  ( 0.04,  0.01,  0.00)
181:     torsion ( -0.403,   5.757, -21.735)  ( -0.403,   5.759, -21.714)  ( 0.00,  0.02,  0.09)
181:     oop     ( -0.046,   0.462,  -1.801)  ( -0.038,   0.384,  -1.493)  ( 0.04,  3.62, 17.10)
181:     vdw     (-40.370, -63.151, -25.868)  (-40.369, -63.148, -25.869)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-42.054, 117.304,  95.769)  (-42.015, 117.511,  95.181)  ( 0.09,  0.18,  0.61)
181:     bond    ( 37.481,  29.457,   7.570)  ( 37.518,  29.484,   7.573)  ( 0.10,  0.09,  0.04)
181:     angle   (-87.919, 119.484,  35.823)  (-87.903, 119.502,  35.823)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.037, -18.981,  76.061)  (  0.037, -18.979,  76.080)  ( 0.00,  0.01,  0.03)
181:     oop     (  0.098,  -0.925,   3.573)  (  0.082,  -0.766,   2.961)  ( 0.16, 14.72, 17.12)
181:     vdw     (  8.249, -11.731, -27.257)  (  8.251, -11.730, -27.257)  ( 0.02,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( -1.243,  58.634, -46.276)  ( -1.214,  58.603, -45.898)  ( 2.34,  0.05,  0.82)
181:     bond    (-12.815, -46.771, -13.270)  (-12.788, -46.744, -13.267)  ( 0.21,  0.06,  0.02)
181:     angle   (-11.262,  40.158,  14.208)  (-11.244,  40.172,  14.209)  ( 0.15,  0.04,  0.01)
181:     torsion ( -0.183,  11.511, -45.098)  ( -0.182,  11.513, -45.079)  ( 0.01,  0.02,  0.04)
181:     oop     (  0.104,   0.467,  -2.195)  (  0.086,   0.393,  -1.840)  ( 0.19,  3.49, 16.15)
181:     vdw     ( 22.912,  53.269,   0.079)  ( 22.914,  53.270,   0.079)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 74       (  0.137,   2.170,  -1.424)  (  0.139,   2.171,  -1.421)  ( 0.03,  0.04,  0.25)
179:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
179:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
179:     electro (  0.020,   0.005,  -0.042)  (  0.020,   0.005,  -0.042)  ( 0.00,  0.00,  0.00)
179: ok 22 # gradients 
179: ok 23 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hjl_15o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hjo_aq4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hju_16l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hjx_f2y.sdf
183: # Unit tests for OBFormat 
183: 1..4
183: ok 1
183: ok 2
183: ok 3
183: ok 4
179:  1       ( -0.390,  -0.080,  -0.086)  ( -0.400,  -0.036,  -0.040)  ( 0.41,  0.35,  0.40)
179:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
179:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
179:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
179:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
179:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
179:     electro (  0.067,  -0.005,   0.012)  (  0.067,  -0.005,   0.012)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.546,  -0.957,   0.155)  ( -0.544,  -0.941,   0.181)  ( 0.08,  1.49,  0.40)
179:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
179:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
179:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
179:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
179:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
179:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
179:     electro (  0.151,   0.299,  -0.070)  (  0.151,   0.299,  -0.070)  ( 0.00,  0.00,  0.00)
179:  3       ( -6.918,   4.406,  -3.910)  ( -6.927,   4.418,  -3.755)  ( 0.12,  0.27,  3.97)
179:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
179:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
179:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
179:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
179:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
179:     electro (  2.373,  -1.475,   1.243)  (  2.373,  -1.475,   1.243)  ( 0.00,  0.00,  0.00)
179:  4       (  6.252,  -1.262,   2.485)  (  6.292,  -1.324,   2.319)  ( 0.63,  4.92,  6.70)
179:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
179:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
179:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
179:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.061,   0.485,  -0.775)  ( -2.061,   0.485,  -0.775)  ( 0.00,  0.00,  0.00)
179:  5       ( -4.110,  -0.366,  -1.743)  ( -4.120,  -0.332,  -1.682)  ( 0.25,  1.24,  3.49)
179:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
179:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
179:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
179:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
179:     electro (  1.366,   0.073,   0.563)  (  1.366,   0.073,   0.563)  ( 0.00,  0.00,  0.00)
179:  6       ( -0.304,   0.282,  -0.195)  ( -0.308,   0.313,  -0.130)  ( 0.12,  0.89,  1.29)
179:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
179:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
180/223 Test #183: test_format_1 ....................   Passed    0.06 sec
test 184
        Start 184: test_formula_1
184: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "formula" "1"
184: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
184: Environment variables: 
184:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
184:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
184: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hkp_tkw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hky_fpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hky_sfr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hl5_15w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hlc_t05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hld_16t.sdf
181: 16       (-70.569,  83.859,  43.385)  (-70.528,  83.986,  43.087)  ( 0.06,  0.15,  0.69)
181:     bond    ( 43.014,  -9.899,   0.673)  ( 43.044,  -9.875,   0.676)  ( 0.07,  0.23,  0.16)
181:     angle   (-68.869,  37.289,   8.467)  (-68.859,  37.304,   8.468)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.769,  -2.246,  11.569)  (  0.769,  -2.244,  11.589)  ( 0.00,  0.06,  0.17)
181:     oop     ( -0.003,  -0.515,   1.925)  ( -0.002,  -0.430,   1.604)  ( 0.00,  4.40, 16.70)
181:     vdw     (-45.480,  59.229,  20.751)  (-45.480,  59.232,  20.751)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-192.991, -395.724, -129.219)  (-192.952, -395.744, -128.985)  ( 0.02,  0.00,  0.18)
181:     bond    (-83.920, -169.485,  -3.556)  (-83.894, -169.461,  -3.554)  ( 0.03,  0.01,  0.05)
181:     angle   (-42.478, -50.466,  12.902)  (-42.472, -50.457,  12.906)  ( 0.01,  0.02,  0.03)
181:     torsion ( -6.887,  -7.603,  23.877)  ( -6.886,  -7.602,  23.883)  ( 0.01,  0.00,  0.02)
181:     oop     ( -0.030,   0.296,  -1.145)  ( -0.024,   0.239,  -0.925)  ( 0.02,  1.68, 19.26)
181:     vdw     (-59.677, -168.466, -161.298)  (-59.676, -168.463, -161.295)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (112.561, 217.395, -31.782)  (112.595, 217.437, -31.748)  ( 0.03,  0.02,  0.11)
181:     bond    (-49.686, 185.503,  41.124)  (-49.667, 185.531,  41.145)  ( 0.04,  0.02,  0.05)
181:     angle   ( 82.350,  40.943, -55.198)  ( 82.361,  40.956, -55.186)  ( 0.01,  0.03,  0.02)
181:     torsion ( 14.356,   1.064, -19.115)  ( 14.358,   1.065, -19.114)  ( 0.01,  0.09,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 65.542, -10.115,   1.408)  ( 65.543, -10.115,   1.408)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( -7.556, -40.622,  47.751)  ( -7.528, -40.592,  47.780)  ( 0.37,  0.07,  0.06)
181:     bond    (  8.410,  11.000, -20.862)  (  8.429,  11.018, -20.842)  ( 0.22,  0.17,  0.10)
181:     angle   (-22.599, -32.864,  60.998)  (-22.591, -32.855,  61.007)  ( 0.04,  0.03,  0.01)
181:     torsion ( -9.611,  -2.930,  -2.776)  ( -9.609,  -2.929,  -2.775)  ( 0.01,  0.04,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 16.243, -15.827,  10.390)  ( 16.243, -15.827,  10.390)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (  1.672, -290.290,   5.310)  (  1.753, -290.231,   5.260)  ( 4.83,  0.02,  0.95)
181:     bond    ( 48.860, -351.645,  36.679)  ( 48.891, -351.609,  36.683)  ( 0.06,  0.01,  0.01)
181:     angle   ( 22.349, 106.451, -23.941)  ( 22.368, 106.474, -23.939)  ( 0.09,  0.02,  0.01)
181:     torsion (-11.068,   6.550,   9.919)  (-11.065,   6.550,   9.936)  ( 0.03,  0.01,  0.17)
181:     oop     ( -0.208,   0.011,   0.576)  ( -0.182,   0.010,   0.502)  ( 0.55,  0.00,  4.26)
181:     vdw     (-58.262, -51.657, -17.922)  (-58.260, -51.656, -17.922)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (119.256, 619.890,  24.768)  (119.296, 619.932,  24.770)  ( 0.03,  0.01,  0.01)
181:     bond    (128.450, 492.247,  22.211)  (128.464, 492.286,  22.213)  ( 0.01,  0.01,  0.01)
181:     angle   (-17.445,  89.502, -16.170)  (-17.428,  89.506, -16.167)  ( 0.09,  0.00,  0.01)
181:     torsion (-10.722,   1.793,  30.081)  (-10.721,   1.793,  30.093)  ( 0.02,  0.00,  0.04)
181:     oop     (  0.038,   0.000,  -0.106)  (  0.044,  -0.002,  -0.120)  ( 0.02,  0.00,  0.14)
181:     vdw     ( 18.935,  36.347, -11.248)  ( 18.937,  36.348, -11.248)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-31.149, -65.327,   7.485)  (-31.139, -65.263,   7.617)  ( 0.03,  0.10,  1.77)
181:     bond    (-184.821, -85.790, -66.524)  (-184.791, -85.756, -66.519)  ( 0.02,  0.04,  0.01)
181:     angle   (174.270, -73.330,  73.268)  (174.287, -73.310,  73.269)  ( 0.01,  0.03,  0.00)
184: # Testing molecular formulas...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hle_17v.sdf
179:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
179:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
179:     electro (  0.117,  -0.122,   0.045)  (  0.117,  -0.122,   0.045)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.202,   0.557,  -0.182)  ( -0.197,   0.570,  -0.158)  ( 0.09,  0.68,  0.44)
179:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
179:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
179:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
179:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
179:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
179:     electro (  0.071,  -0.184,   0.059)  (  0.071,  -0.184,   0.059)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.891,  -0.177,  -0.173)  ( -1.886,  -0.165,  -0.154)  ( 0.25,  0.22,  0.33)
179:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
179:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
179:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
179:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
179:     electro (  0.618,   0.057,   0.050)  (  0.618,   0.057,   0.050)  ( 0.00,  0.00,  0.00)
179:  9       ( -0.774,  -1.950,  -0.631)  ( -0.746,  -1.983,  -0.746)  ( 2.17,  1.69,  7.26)
179:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
179:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
179:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
179:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
179:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
179:     electro (  0.281,   0.705,   0.237)  (  0.281,   0.705,   0.237)  ( 0.00,  0.00,  0.00)
179: 10       ( -0.880,  -1.134,   0.021)  ( -0.875,  -1.120,   0.038)  ( 0.42,  1.22,  0.04)
179:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
179:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
179:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
179:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
179:     electro (  0.267,   0.365,  -0.016)  (  0.267,   0.365,  -0.016)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.274,  -0.454,  -0.157)  ( -0.317,  -0.358,  -0.074)  ( 1.19,  4.38,  1.30)
179:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
179:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
179:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
179:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
179:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
179:     electro (  0.115,   0.097,   0.028)  (  0.115,   0.097,   0.028)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.438,   1.369,  -0.101)  ( -0.434,   1.364,  -0.123)  ( 0.17,  0.40,  0.22)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hlf_15z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hlg_20b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hlm_16s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hlw_17w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hm1_1on.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hm2_16m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hm3_pyj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hm4_16n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hm6_16q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hm8_16r.sdf
179:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
179:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
179:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
179:     electro (  0.146,  -0.445,   0.041)  (  0.146,  -0.445,   0.041)  ( 0.00,  0.00,  0.00)
179: 13       (  1.701,   2.579,  -0.525)  (  1.727,   2.539,  -0.665)  ( 1.54,  1.55,  7.37)
179:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
179:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
179:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
179:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
179:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.611,  -0.821,   0.209)  ( -0.611,  -0.821,   0.209)  ( 0.00,  0.00,  0.00)
179: 14       (  0.986,   0.151,  -0.043)  (  0.987,   0.154,  -0.045)  ( 0.11,  0.04,  0.01)
179:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
179:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.330,  -0.049,   0.015)  ( -0.330,  -0.049,   0.015)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.314,   0.296,   0.066)  ( -0.314,   0.306,   0.088)  ( 0.02,  0.27,  0.15)
179:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
179:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
179:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
179:     electro (  0.133,  -0.115,  -0.022)  (  0.133,  -0.115,  -0.022)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.569,   0.466,   4.456)  ( 12.606,   0.357,   4.669)  ( 0.29,  5.06,  4.80)
179:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
179:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
179:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
179:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
179:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.202,  -0.115,  -1.547)  ( -4.202,  -0.115,  -1.547)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.127,  -0.381,   0.161)  ( -0.130,  -0.361,   0.202)  ( 0.04,  0.77,  0.67)
179:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
179:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
179:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
179:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hmb_pzz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hmh_f94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hmn_16j.sdf
181:     torsion ( -3.641,   0.520,   8.689)  ( -3.637,   0.520,   8.711)  ( 0.09,  0.01,  0.25)
181:     oop     (  0.165,  -0.030,  -0.436)  (  0.125,  -0.023,  -0.332)  ( 0.66,  0.02,  4.54)
181:     vdw     (-17.123,  93.304,  -7.512)  (-17.123,  93.307,  -7.512)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-23.983, -22.539, -15.355)  (-23.974, -22.473, -15.214)  ( 0.04,  0.29,  0.92)
181:     bond    (107.750, -252.321,  56.463)  (107.775, -252.281,  56.468)  ( 0.02,  0.02,  0.01)
181:     angle   (-188.480, 168.110, -74.826)  (-188.460, 168.128, -74.824)  ( 0.01,  0.01,  0.00)
181:     torsion (  4.764,  -0.733, -12.644)  (  4.767,  -0.733, -12.617)  ( 0.08,  0.01,  0.21)
181:     oop     (  0.167,  -0.024,  -0.427)  (  0.126,  -0.018,  -0.319)  ( 0.69,  0.02,  4.59)
181:     vdw     ( 51.816,  62.429,  16.078)  ( 51.817,  62.430,  16.078)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-340.956, 471.644, -155.708)  (-340.799, 471.689, -155.922)  ( 0.05,  0.01,  0.14)
181:     bond    (-87.772, 315.177, -53.391)  (-87.729, 315.209, -53.383)  ( 0.05,  0.01,  0.01)
181:     angle   (-266.595, 179.453, -119.794)  (-266.580, 179.480, -119.794)  ( 0.01,  0.02,  0.00)
181:     torsion ( -3.047,   0.367,   8.319)  ( -3.044,   0.367,   8.338)  ( 0.10,  0.00,  0.23)
181:     oop     ( -0.533,   0.079,   1.372)  ( -0.437,   0.065,   1.131)  ( 5.14,  0.12, 17.58)
181:     vdw     ( 16.992, -23.433,   7.787)  ( 16.992, -23.432,   7.787)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (125.716, -305.181,  59.352)  (125.829, -305.134,  59.218)  ( 0.09,  0.02,  0.22)
181:     bond    (-30.214, 190.400, -29.022)  (-30.176, 190.432, -29.016)  ( 0.12,  0.02,  0.02)
181:     angle   (111.351, -427.295,  73.315)  (111.360, -427.271,  73.317)  ( 0.01,  0.01,  0.00)
181:     torsion (  6.776,  -0.115, -18.396)  (  6.779,  -0.115, -18.376)  ( 0.05,  0.00,  0.11)
181:     oop     ( -0.289,   0.080,   0.729)  ( -0.226,   0.067,   0.569)  ( 1.83,  0.11, 11.64)
181:     vdw     ( 38.092, -68.250,  32.725)  ( 38.092, -68.247,  32.725)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-217.964, -53.713, -70.476)  (-217.943, -53.662, -70.386)  ( 0.01,  0.09,  0.13)
181:     bond    (-129.118, -144.702, -38.830)  (-129.088, -144.673, -38.826)  ( 0.02,  0.02,  0.01)
181:     angle   (-92.939,  94.229, -67.021)  (-92.923,  94.245, -67.016)  ( 0.02,  0.02,  0.01)
181:     torsion ( -0.862,  -0.355,   1.681)  ( -0.860,  -0.355,   1.692)  ( 0.17,  0.01,  0.62)
181:     oop     (  0.159,  -0.034,  -0.406)  (  0.132,  -0.028,  -0.336)  ( 0.43,  0.02,  2.81)
181:     vdw     (  4.796,  -2.851,  34.099)  (  4.796,  -2.851,  34.100)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (309.239, -201.556, 101.651)  (309.302, -201.516, 101.608)  ( 0.02,  0.02,  0.04)
181:     bond    (248.311, -157.888, 106.012)  (248.345, -157.860, 106.018)  ( 0.01,  0.02,  0.01)
181:     angle   ( 48.554, -35.777,  18.789)  ( 48.560, -35.759,  18.792)  ( 0.01,  0.05,  0.01)
181:     torsion (  9.873,  -2.247, -25.452)  (  9.874,  -2.247, -25.445)  ( 0.01,  0.00,  0.03)
181:     oop     ( -0.142,   0.030,   0.372)  ( -0.120,   0.025,   0.314)  ( 0.31,  0.01,  2.16)
181:     vdw     (  2.642,  -5.673,   1.931)  (  2.643,  -5.673,   1.931)  ( 0.02,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( 87.379, -176.189,  45.678)  ( 87.415, -176.122,  45.774)  ( 0.04,  0.04,  0.21)
181:     bond    (-122.952, 125.551, -56.601)  (-122.912, 125.596, -56.593)  ( 0.03,  0.04,  0.01)
181:     angle   (212.046, -303.014, 100.749)  (212.065, -302.998, 100.753)  ( 0.01,  0.01,  0.00)
181:     torsion ( -1.009,  -0.804,   2.730)  ( -1.007,  -0.804,   2.747)  ( 0.24,  0.01,  0.65)
181:     oop     (  0.144,  -0.028,  -0.384)  (  0.119,  -0.023,  -0.317)  ( 0.35,  0.01,  2.55)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hmt_nnv.sdf
179:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
179:     electro (  0.029,   0.109,  -0.034)  (  0.029,   0.109,  -0.034)  ( 0.00,  0.00,  0.00)
179: 18       (  2.026,   0.720,  -0.162)  (  2.029,   0.721,  -0.163)  ( 0.15,  0.06,  0.02)
179:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
179:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.668,  -0.244,   0.060)  ( -0.668,  -0.244,   0.060)  ( 0.00,  0.00,  0.00)
179: 19       (  2.870,   0.328,  -1.984)  (  2.869,   0.381,  -2.042)  ( 0.04,  1.74,  2.90)
179:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
179:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
179:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
179:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
179:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.953,  -0.110,   0.686)  ( -0.953,  -0.110,   0.686)  ( 0.00,  0.00,  0.00)
179: 20       (  1.141,   5.323,  -0.149)  (  1.157,   5.345,  -0.248)  ( 1.36,  0.42,  1.47)
179:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
179:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
179:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
179:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
179:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.385,  -1.779,   0.082)  ( -0.385,  -1.779,   0.082)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
179:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
179:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
179:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
179:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
179:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.564,  -2.361,  -0.607)  ( -0.559,  -2.355,  -0.601)  ( 0.27,  0.24,  0.37)
179:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hmu_wub.sdf
181:     vdw     ( -0.850,   2.107,  -0.816)  ( -0.850,   2.107,  -0.816)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 28.638,  80.760,   2.152)  ( 28.598,  80.784,   2.334)  ( 0.14,  0.03,  8.48)
181:     bond    (-13.342,   5.622,  -5.580)  (-13.316,   5.627,  -5.576)  ( 0.19,  0.08,  0.08)
181:     angle   ( 29.775,  77.751,   7.356)  ( 29.777,  77.759,   7.356)  ( 0.00,  0.01,  0.01)
181:     torsion (  1.225,  -0.163,  -3.094)  (  1.225,  -0.163,  -3.091)  ( 0.05,  0.00,  0.12)
181:     oop     (  0.284,  -0.046,  -0.725)  (  0.216,  -0.035,  -0.551)  ( 1.94,  0.05, 12.68)
181:     vdw     ( 10.696,  -2.404,   4.196)  ( 10.696,  -2.404,   4.196)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-51.769, 170.421, -28.422)  (-51.718, 170.451, -28.427)  ( 0.10,  0.02,  0.02)
181:     bond    (-57.140,  -0.068, -21.182)  (-57.114,  -0.050, -21.162)  ( 0.05,  0.13,  0.09)
181:     angle   ( -4.494, 146.661, -12.973)  ( -4.484, 146.674, -12.965)  ( 0.24,  0.01,  0.07)
181:     torsion ( -1.064,   4.904,   2.867)  ( -1.063,   4.906,   2.871)  ( 0.05,  0.03,  0.13)
181:     oop     ( -0.060,   0.012,   0.161)  ( -0.046,   0.009,   0.123)  ( 0.08,  0.00,  0.60)
181:     vdw     ( 10.989,  18.912,   2.706)  ( 10.989,  18.913,   2.706)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-39.625, -46.446,   4.953)  (-39.572, -46.418,   4.932)  ( 0.13,  0.06,  0.43)
181:     bond    ( 24.264,   1.025, -37.484)  ( 24.284,   1.044, -37.464)  ( 0.08,  1.86,  0.05)
181:     angle   (-64.819, -62.366,  28.293)  (-64.808, -62.354,  28.302)  ( 0.02,  0.02,  0.03)
181:     torsion (  1.880,   5.952,   6.218)  (  1.882,   5.952,   6.219)  ( 0.08,  0.01,  0.01)
181:     oop     ( -0.086,   0.018,   0.218)  ( -0.066,   0.014,   0.166)  ( 0.18,  0.01,  1.13)
181:     vdw     ( -0.864,   8.926,   7.708)  ( -0.864,   8.926,   7.708)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( 17.161,  37.789, -11.581)  ( 17.192,  37.821, -11.550)  ( 0.18,  0.08,  0.27)
181:     bond    ( -6.574, -42.124,  16.847)  ( -6.556, -42.105,  16.867)  ( 0.28,  0.05,  0.12)
181:     angle   ( 18.684,  57.126, -24.812)  ( 18.694,  57.137, -24.802)  ( 0.05,  0.02,  0.04)
181:     torsion (  8.251,  21.142,   0.462)  (  8.253,  21.143,   0.462)  ( 0.03,  0.01,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.200,   1.645,  -4.077)  ( -3.200,   1.645,  -4.077)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( -4.601, -28.457, -17.819)  ( -4.572, -28.428, -17.789)  ( 0.61,  0.10,  0.16)
181:     bond    ( -2.307,  38.602,  27.693)  ( -2.289,  38.622,  27.712)  ( 0.80,  0.05,  0.07)
181:     angle   ( -1.034, -67.182, -17.928)  ( -1.026, -67.173, -17.919)  ( 0.78,  0.01,  0.05)
181:     torsion (  2.723,  -0.138,   0.283)  (  2.724,  -0.137,   0.284)  ( 0.06,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.981,   0.260, -27.867)  ( -3.981,   0.260, -27.866)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (  9.373,  -5.263,  -5.246)  (  9.379,  -5.250,  -5.243)  ( 0.06,  0.24,  0.06)
181:     bond    (  6.793, -18.562,   0.914)  (  6.794, -18.550,   0.914)  ( 0.03,  0.07,  0.01)
181:     angle   ( 12.826,   4.169, -10.756)  ( 12.830,   4.169, -10.754)  ( 0.03,  0.01,  0.02)
181:     torsion (  6.776,   2.158,  -6.569)  (  6.777,   2.159,  -6.568)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.022,   6.971,  11.165)  (-17.022,   6.971,  11.165)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (  8.439,   3.595, -13.990)  (  8.444,   3.600, -13.978)  ( 0.06,  0.12,  0.09)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hn2_0ej.sdf
179:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
179:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
179:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,   0.752,   0.199)  (  0.189,   0.752,   0.199)  ( 0.00,  0.00,  0.00)
179: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
179:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
179:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -2.189,   0.946,   0.748)  ( -2.183,   0.951,   0.754)  ( 0.26,  0.50,  0.41)
179:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
179:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
179:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
179:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
179:     electro (  0.752,  -0.335,  -0.274)  (  0.752,  -0.335,  -0.274)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
179:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
179:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (-12.122,  -7.423,  -2.247)  (-12.117,  -7.418,  -2.244)  ( 0.05,  0.07,  0.13)
179:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
179:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
179:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
179:     electro (  4.023,   2.503,   0.763)  (  4.023,   2.503,   0.763)  ( 0.00,  0.00,  0.00)
179: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
179:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hnc_0ut.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hnf_16w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hnx_g4p.sdf
181:     bond    (  4.852,   7.538, -18.762)  (  4.853,   7.540, -18.751)  ( 0.02,  0.03,  0.06)
181:     angle   ( 17.637,  -2.460,   3.577)  ( 17.641,  -2.458,   3.577)  ( 0.02,  0.08,  0.02)
181:     torsion ( -2.872,   1.678,  -0.068)  ( -2.872,   1.678,  -0.068)  ( 0.01,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.178,  -3.161,   1.263)  (-11.178,  -3.161,   1.263)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       ( 13.034,   2.868,   7.553)  ( 13.047,   2.872,   7.558)  ( 0.11,  0.11,  0.06)
181:     bond    ( 19.930,  -1.163,  -2.917)  ( 19.944,  -1.163,  -2.916)  ( 0.07,  0.01,  0.01)
181:     angle   ( -0.525,   7.456,  -6.566)  ( -0.525,   7.459,  -6.563)  ( 0.00,  0.03,  0.06)
181:     torsion (  0.113,  -3.557,   2.187)  (  0.113,  -3.556,   2.187)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.484,   0.132,  14.849)  ( -6.484,   0.132,  14.849)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (  7.808,   6.534,   2.461)  (  7.812,   6.547,   2.466)  ( 0.05,  0.20,  0.20)
181:     bond    ( -5.121,  18.462,  -2.248)  ( -5.120,  18.475,  -2.248)  ( 0.02,  0.07,  0.01)
181:     angle   ( 12.554,   2.071, -11.579)  ( 12.556,   2.071, -11.575)  ( 0.02,  0.01,  0.03)
181:     torsion (  8.704,   1.762,  -5.344)  (  8.705,   1.762,  -5.344)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.328, -15.761,  21.633)  ( -8.328, -15.761,  21.633)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  4.689,   1.345,  14.511)  (  4.695,   1.349,  14.523)  ( 0.11,  0.32,  0.08)
181:     bond    ( -4.521,  -7.164,  18.317)  ( -4.520,  -7.162,  18.328)  ( 0.02,  0.03,  0.06)
181:     angle   ( -8.158,   5.530,   0.150)  ( -8.155,   5.532,   0.151)  ( 0.04,  0.04,  0.01)
181:     torsion (  2.436,  -2.304,  -0.299)  (  2.436,  -2.304,  -0.299)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.933,   5.283,  -3.657)  ( 14.933,   5.283,  -3.657)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       ( -0.359,   4.608,   8.965)  ( -0.353,   4.620,   8.968)  ( 0.21,  0.28,  0.03)
181:     bond    ( -6.686,  18.075,  -0.977)  ( -6.685,  18.088,  -0.977)  ( 0.03,  0.07,  0.01)
181:     angle   (-13.717,  -4.486,  10.782)  (-13.713,  -4.486,  10.784)  ( 0.02,  0.01,  0.02)
181:     torsion ( -5.879,  -1.787,   7.143)  ( -5.879,  -1.787,   7.143)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 25.924,  -7.195,  -7.982)  ( 25.924,  -7.195,  -7.982)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       (-15.640,  -4.131,   5.459)  (-15.626,  -4.128,   5.464)  ( 0.09,  0.07,  0.09)
181:     bond    (-20.987,   1.060,   3.290)  (-20.973,   1.060,   3.290)  ( 0.06,  0.01,  0.01)
181:     angle   (  1.888,  -7.800,  14.544)  (  1.888,  -7.797,  14.548)  ( 0.01,  0.03,  0.03)
181:     torsion ( -0.238,   1.144,  -1.889)  ( -0.238,   1.144,  -1.888)  ( 0.00,  0.04,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.698,   1.465, -10.486)  (  3.698,   1.466, -10.486)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       ( -2.868,  -8.359,   8.203)  ( -2.864,  -8.346,   8.208)  ( 0.14,  0.16,  0.06)
181:     bond    (  5.462, -18.914,   2.362)  (  5.463, -18.901,   2.362)  ( 0.02,  0.07,  0.01)
181:     angle   (-11.884,  -1.457,  15.815)  (-11.882,  -1.457,  15.819)  ( 0.02,  0.01,  0.02)
181:     torsion ( -6.481,  -1.186,   5.499)  ( -6.480,  -1.186,   5.499)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
179:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
179:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
179:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
179:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
179:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.594,   0.396,   0.458)  (  0.597,   0.399,   0.458)  ( 0.16,  0.09,  0.04)
179:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
179:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.197,  -0.138,  -0.156)  ( -0.197,  -0.138,  -0.156)  ( 0.00,  0.00,  0.00)
179: 33       ( 11.993,  -9.102,   3.831)  ( 12.004,  -9.096,   3.748)  ( 0.09,  0.07,  2.16)
179:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
179:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
179:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.008,   3.016,  -1.242)  ( -4.008,   3.016,  -1.242)  ( 0.00,  0.00,  0.00)
179: 34       ( -0.062,  -2.957,   1.492)  ( -0.051,  -2.954,   1.456)  ( 0.07,  0.11,  2.40)
179:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
179:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
179:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hof_18h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hpj_1d0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hpw_3ym.sdf
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.035,  13.198, -15.473)  ( 10.035,  13.198, -15.472)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (  2.797,   3.776,   4.300)  (  2.801,   3.789,   4.303)  ( 0.13,  0.35,  0.08)
181:     bond    ( -3.557,  12.409,  -0.546)  ( -3.556,  12.422,  -0.546)  ( 0.03,  0.10,  0.00)
181:     angle   ( 17.083,   5.825,  21.266)  ( 17.086,   5.825,  21.269)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.038,  -0.009,   0.033)  ( -0.038,  -0.009,   0.033)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.691, -14.448, -16.454)  (-10.691, -14.448, -16.453)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       (  8.026,   3.053,   2.790)  (  8.040,   3.056,   2.793)  ( 0.17,  0.09,  0.13)
181:     bond    ( 12.762,  -0.692,  -1.574)  ( 12.775,  -0.692,  -1.574)  ( 0.11,  0.01,  0.02)
181:     angle   (  2.727,   6.099,  19.454)  (  2.727,   6.101,  19.457)  ( 0.00,  0.04,  0.01)
181:     torsion (  0.016,  -0.402,   0.307)  (  0.016,  -0.402,   0.307)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.478,  -1.951, -15.397)  ( -7.478,  -1.951, -15.397)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       (  1.200,   1.204,   8.941)  (  1.203,   1.208,   8.953)  ( 0.28,  0.36,  0.14)
181:     bond    ( -2.604,  -4.517,  11.804)  ( -2.604,  -4.515,  11.816)  ( 0.02,  0.04,  0.10)
181:     angle   ( 16.627,   9.458,   7.279)  ( 16.629,   9.461,   7.279)  ( 0.01,  0.03,  0.01)
181:     torsion (  0.483,  -0.369,  -0.034)  (  0.483,  -0.369,  -0.034)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-13.306,  -3.369, -10.108)  (-13.306,  -3.369, -10.108)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       ( 38.713,  44.328,   7.887)  ( 38.722,  44.347,   7.854)  ( 0.02,  0.04,  0.42)
181:     bond    ( 43.946,  43.820,   9.845)  ( 43.953,  43.828,   9.845)  ( 0.02,  0.02,  0.01)
181:     angle   ( -4.853,   4.607,   1.140)  ( -4.851,   4.609,   1.140)  ( 0.04,  0.04,  0.01)
181:     torsion ( -0.054,   0.616,  -2.505)  ( -0.054,   0.616,  -2.500)  ( 0.00,  0.02,  0.19)
181:     oop     (  0.003,  -0.054,   0.231)  (  0.002,  -0.045,   0.193)  ( 0.00,  0.05,  0.89)
181:     vdw     ( -0.328,  -4.660,  -0.824)  ( -0.328,  -4.660,  -0.824)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       (-18.395,  57.830,  23.586)  (-18.389,  57.857,  23.541)  ( 0.03,  0.05,  0.19)
181:     bond    (-10.669,  53.306,  13.917)  (-10.668,  53.320,  13.918)  ( 0.01,  0.03,  0.01)
181:     angle   ( 40.079,   7.653,   1.404)  ( 40.082,   7.653,   1.404)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.080,  -2.491,   9.598)  (  0.080,  -2.490,   9.602)  ( 0.00,  0.01,  0.05)
181:     oop     (  0.007,  -0.087,   0.339)  (  0.006,  -0.074,   0.289)  ( 0.00,  0.11,  1.71)
181:     vdw     (-47.891,  -0.551,  -1.672)  (-47.889,  -0.551,  -1.672)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       ( 12.896, -47.842, -29.476)  ( 12.902, -47.867, -29.330)  ( 0.05,  0.05,  0.50)
181:     bond    ( 16.083, -55.844, -15.523)  ( 16.084, -55.831, -15.522)  ( 0.01,  0.02,  0.01)
181:     angle   ( 16.899,   4.635,   0.843)  ( 16.903,   4.635,   0.843)  ( 0.02,  0.01,  0.00)
181:     torsion ( -0.281,   4.759, -17.416)  ( -0.281,   4.760, -17.411)  ( 0.00,  0.01,  0.03)
181:     oop     ( -0.003,   0.252,  -0.909)  ( -0.003,   0.213,  -0.768)  ( 0.00,  0.98, 12.78)
181:     vdw     (-19.802,  -1.643,   3.528)  (-19.801,  -1.643,   3.528)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hpx_bzi.sdf
179:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
179:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
179:     electro (  0.027,   1.039,  -0.487)  (  0.027,   1.039,  -0.487)  ( 0.00,  0.00,  0.00)
179: 35       ( -7.756,   8.365,  -1.689)  ( -7.753,   8.368,  -1.689)  ( 0.05,  0.03,  0.01)
179:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
179:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
179:     electro (  2.552,  -2.816,   0.559)  (  2.552,  -2.816,   0.559)  ( 0.00,  0.00,  0.00)
179: 36       ( -0.111,   1.138,   0.003)  ( -0.104,   1.142,   0.008)  ( 0.07,  0.35,  0.00)
179:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
179:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
179:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
179:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
179:     electro (  0.045,  -0.389,  -0.005)  (  0.045,  -0.389,  -0.005)  ( 0.00,  0.00,  0.00)
179: 37       ( -0.129,   0.971,   0.072)  ( -0.124,   0.976,   0.078)  ( 0.06,  0.47,  0.05)
179:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
179:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
179:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
179:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
179:     electro (  0.053,  -0.310,  -0.040)  (  0.053,  -0.310,  -0.040)  ( 0.00,  0.00,  0.00)
179: 38       (  0.456,  -0.099,   0.104)  (  0.457,  -0.097,   0.106)  ( 0.05,  0.01,  0.02)
179:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
179:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.156,   0.039,  -0.036)  ( -0.156,   0.039,  -0.036)  ( 0.00,  0.00,  0.00)
179: 39       (  0.251,   0.090,  -0.113)  (  0.254,   0.090,  -0.111)  ( 0.05,  0.01,  0.02)
179:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
179:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.085,  -0.032,   0.042)  ( -0.085,  -0.032,   0.042)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hra_ep6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hsg_ktd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hsj_6pc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hsl_3ha.sdf
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (-13.369, -21.958,  16.625)  (-13.356, -21.953,  16.629)  ( 0.10,  0.02,  0.02)
181:     bond    (-18.943,  -0.495,   4.460)  (-18.930,  -0.495,   4.461)  ( 0.07,  0.00,  0.02)
181:     angle   (  2.111, -25.347,   6.142)  (  2.111, -25.343,   6.145)  ( 0.01,  0.02,  0.04)
181:     torsion (  2.357,   0.951,  10.106)  (  2.357,   0.952,  10.106)  ( 0.00,  0.04,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.107,   2.933,  -4.084)  (  1.107,   2.933,  -4.084)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       (  5.762, -15.925,   9.043)  (  5.768, -15.919,   9.052)  ( 0.11,  0.04,  0.10)
181:     bond    (  1.912,   1.900,   3.242)  (  1.915,   1.902,   3.250)  ( 0.15,  0.15,  0.25)
181:     angle   (-32.893,  -8.313,  24.245)  (-32.891,  -8.310,  24.246)  ( 0.01,  0.04,  0.00)
181:     torsion (  0.587,   3.391,  -2.331)  (  0.588,   3.391,  -2.331)  ( 0.03,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 36.156, -12.903, -16.113)  ( 36.157, -12.903, -16.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       ( -1.794,  13.571, -14.957)  ( -1.790,  13.584, -14.954)  ( 0.22,  0.09,  0.02)
181:     bond    ( -5.047,  12.898,   0.979)  ( -5.045,  12.910,   0.979)  ( 0.04,  0.09,  0.01)
181:     angle   (  6.345,   3.861, -18.227)  (  6.346,   3.862, -18.224)  ( 0.03,  0.01,  0.01)
181:     torsion ( -2.173,  -0.796,  -0.702)  ( -2.172,  -0.796,  -0.702)  ( 0.02,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.919,  -2.393,   2.993)  ( -0.919,  -2.392,   2.993)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       (  5.006,  11.117, -16.029)  (  5.019,  11.120, -16.025)  ( 0.26,  0.02,  0.02)
181:     bond    (  7.392,   0.592,  -2.237)  (  7.405,   0.592,  -2.236)  ( 0.17,  0.01,  0.05)
181:     angle   (-10.078,  18.633, -28.438)  (-10.078,  18.635, -28.435)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.198,   2.152,   1.225)  (  0.198,   2.152,   1.225)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.494, -10.259,  13.421)  (  7.494, -10.259,  13.422)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (  0.874,   5.631, -19.225)  (  0.880,   5.637, -19.217)  ( 0.47,  0.09,  0.05)
181:     bond    ( -6.958,  -6.497, -10.205)  ( -6.955,  -6.494, -10.198)  ( 0.05,  0.05,  0.07)
181:     angle   (  6.830,  14.880, -14.137)  (  6.831,  14.882, -14.136)  ( 0.02,  0.01,  0.01)
181:     torsion (  0.986,  -0.661,  -0.252)  (  0.986,  -0.661,  -0.252)  ( 0.04,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.017,  -2.090,   5.369)  (  0.017,  -2.090,   5.369)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (162.332, -31.360, 165.767)  (162.312, -31.329, 165.841)  ( 0.01,  0.10,  0.04)
181:     bond    ( 20.228, -169.925,  23.926)  ( 20.227, -169.904,  23.926)  ( 0.00,  0.01,  0.00)
181:     angle   ( 33.422,   5.569,  11.284)  ( 33.427,   5.569,  11.285)  ( 0.01,  0.00,  0.01)
181:     torsion ( 11.888,  -2.850, -30.292)  ( 11.888,  -2.850, -30.287)  ( 0.01,  0.00,  0.01)
181:     oop     (  0.236,  -0.056,  -0.599)  (  0.210,  -0.050,  -0.533)  ( 0.62,  0.03,  3.94)
181:     vdw     ( 96.558, 135.903, 161.448)  ( 96.559, 135.906, 161.451)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       (  6.868, -11.480,   4.680)  (  6.872, -11.467,   4.683)  ( 0.07,  0.11,  0.06)
181:     bond    ( -3.346,  -9.614,  -0.475)  ( -3.344,  -9.602,  -0.475)  ( 0.05,  0.13,  0.00)
179: 40       ( -0.318,  -0.258,  -0.145)  ( -0.317,  -0.256,  -0.144)  ( 0.04,  0.05,  0.02)
179:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
179:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
179:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
179:     electro (  0.096,   0.073,   0.060)  (  0.096,   0.073,   0.060)  ( 0.00,  0.00,  0.00)
179: 41       ( -0.173,   0.248,  -0.228)  ( -0.172,   0.248,  -0.225)  ( 0.01,  0.01,  0.08)
179:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
179:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
179:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
179:     electro (  0.059,  -0.086,   0.083)  (  0.059,  -0.086,   0.083)  ( 0.00,  0.00,  0.00)
179: 42       ( -0.367,   0.133,   0.950)  ( -0.366,   0.134,   0.953)  ( 0.02,  0.01,  0.31)
179:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
179:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
179:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
179:     electro (  0.127,  -0.042,  -0.330)  (  0.127,  -0.042,  -0.330)  ( 0.00,  0.00,  0.00)
179: ok 24 # gradients 
179: ok 25 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ht2_v50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4htx_19f.sdf
184: ok 1 # molecular formula
184: ok 2 # molecular weight
184: ok 3 # molecular exact mass
184: ok 4 # molecular hydrogen-added formula
184: ok 5 # molecule + hydrogens weight
184: ok 6 # molecular exact mass after hydrogen addition
184: ok 7 # molecular formula
184: ok 8 # molecular weight
184: ok 9 # molecular exact mass
184: ok 10 # molecular hydrogen-added formula
184: ok 11 # molecule + hydrogens weight
184: ok 12 # molecular exact mass after hydrogen addition
184: ok 13 # molecular formula
184: ok 14 # molecular weight
184: ok 15 # molecular exact mass
184: ok 16 # molecular hydrogen-added formula
184: ok 17 # molecule + hydrogens weight
184: ok 18 # molecular exact mass after hydrogen addition
184: ok 19 # molecular formula
184: ok 20 # molecular weight
184: ok 21 # molecular exact mass
184: ok 22 # molecular hydrogen-added formula
184: ok 23 # molecule + hydrogens weight
184: ok 24 # molecular exact mass after hydrogen addition
184: ok 25 # molecular formula
184: ok 26 # molecular weight
184: ok 27 # molecular exact mass
184: ok 28 # molecular hydrogen-added formula
184: ok 29 # molecule + hydrogens weight
184: ok 30 # molecular exact mass after hydrogen addition
184: ok 31 # molecular formula
184: ok 32 # molecular weight
184: ok 33 # molecular exact mass
184: ok 34 # molecular hydrogen-added formula
184: ok 35 # molecule + hydrogens weight
184: ok 36 # molecular exact mass after hydrogen addition
184: ok 37 # molecular formula
184: ok 38 # molecular weight
184: ok 39 # molecular exact mass
184: ok 40 # molecular hydrogen-added formula
184: ok 41 # molecule + hydrogens weight
184: ok 42 # molecular exact mass after hydrogen addition
184: ok 43 # molecular formula
184: ok 44 # molecular weight
184: ok 45 # molecular exact mass
184: ok 46 # molecular hydrogen-added formula
184: ok 47 # molecule + hydrogens weight
184: ok 48 # molecular exact mass after hydrogen addition
184: ok 49 # molecular formula
184: ok 50 # molecular weight
184: ok 51 # molecular exact mass
184: ok 52 # molecular hydrogen-added formula
184: ok 53 # molecule + hydrogens weight
184: ok 54 # molecular exact mass after hydrogen addition
184: ok 55 # molecular formula
184: ok 56 # molecular weight
184: ok 57 # molecular exact mass
184: ok 58 # molecular hydrogen-added formula
184: ok 59 # molecule + hydrogens weight
184: ok 60 # molecular exact mass after hydrogen addition
184: ok 61 # molecular formula
184: ok 62 # molecular weight
184: ok 63 # molecular exact mass
184: ok 64 # molecular hydrogen-added formula
184: ok 65 # molecule + hydrogens weight
184: ok 66 # molecular exact mass after hydrogen addition
184: ok 67 # molecular formula
184: ok 68 # molecular weight
184: ok 69 # molecular exact mass
184: ok 70 # molecular hydrogen-added formula
184: ok 71 # molecule + hydrogens weight
184: ok 72 # molecular exact mass after hydrogen addition
184: ok 73 # molecular formula
184: ok 74 # molecular weight
184: ok 75 # molecular exact mass
184: ok 76 # molecular hydrogen-added formula
184: ok 77 # molecule + hydrogens weight
184: ok 78 # molecular exact mass after hydrogen addition
184: ok 79 # molecular formula
184: ok 80 # molecular weight
184: ok 81 # molecular exact mass
184: ok 82 # molecular hydrogen-added formula
184: ok 83 # molecule + hydrogens weight
184: ok 84 # molecular exact mass after hydrogen addition
184: ok 85 # molecular formula
184: ok 86 # molecular weight
184: ok 87 # molecular exact mass
184: ok 88 # molecular hydrogen-added formula
184: ok 89 # molecule + hydrogens weight
184: ok 90 # molecular exact mass after hydrogen addition
184: ok 91 # molecular formula
184: ok 92 # molecular weight
184: ok 93 # molecular exact mass
184: ok 94 # molecular hydrogen-added formula
184: ok 95 # molecule + hydrogens weight
184: ok 96 # molecular exact mass after hydrogen addition
184: ok 97 # molecular formula
184: ok 98 # molecular weight
184: ok 99 # molecular exact mass
184: ok 100 # molecular hydrogen-added formula
184: ok 101 # molecule + hydrogens weight
184: ok 102 # molecular exact mass after hydrogen addition
184: ok 103 # molecular formula
184: ok 104 # molecular weight
184: ok 105 # molecular exact mass
184: ok 106 # molecular hydrogen-added formula
184: ok 107 # molecule + hydrogens weight
184: ok 108 # molecular exact mass after hydrogen addition
184: ok 109 # molecular formula
184: ok 110 # molecular weight
184: ok 111 # molecular exact mass
184: ok 112 # molecular hydrogen-added formula
184: ok 113 # molecule + hydrogens weight
184: ok 114 # molecular exact mass after hydrogen addition
184: ok 115 # molecular formula
184: ok 116 # molecular weight
184: ok 117 # molecular exact mass
179:  1       ( -0.279,  -0.003,   0.123)  ( -0.272,   0.001,   0.128)  ( 0.21,  0.00,  0.06)
179:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
179:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
179:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
179:     electro (  0.124,  -0.017,   0.043)  (  0.124,  -0.017,   0.043)  ( 0.00,  0.00,  0.00)
179:  2       (  0.100,  -0.168,  -0.063)  (  0.104,  -0.161,  -0.045)  ( 0.04,  0.12,  0.11)
179:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
179:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
179:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
179:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.101,  -0.072,   0.038)  ( -0.101,  -0.072,   0.038)  ( 0.00,  0.00,  0.00)
179:  3       ( -1.433,   0.619,   0.080)  ( -1.416,   0.635,  -0.042)  ( 1.17,  0.98,  0.97)
179:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
179:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
179:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
179:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
179:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
179:     electro (  0.441,  -0.186,  -0.007)  (  0.441,  -0.186,  -0.007)  ( 0.00,  0.00,  0.00)
179:  4       (  2.087,   0.080,  -0.569)  (  2.064,   0.060,  -0.243)  ( 1.08,  0.16, 18.58)
179:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
179:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
179:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
179:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
179:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.725,  -0.061,   0.062)  ( -0.725,  -0.061,   0.062)  ( 0.00,  0.00,  0.00)
179:  5       ( -2.687,  -1.178,   0.039)  ( -2.683,  -1.173,   0.054)  ( 0.13,  0.48,  0.06)
179:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
179:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
179:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
179:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
179:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
179:     electro (  0.873,   0.387,  -0.055)  (  0.873,   0.387,  -0.055)  ( 0.00,  0.00,  0.00)
179:  6       (  0.018,  -0.397,   0.001)  (  0.029,  -0.386,  -0.079)  ( 0.02,  0.42,  0.01)
179:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
179:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
179:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
184: ok 118 # molecular hydrogen-added formula
184: ok 119 # molecule + hydrogens weight
184: ok 120 # molecular exact mass after hydrogen addition
184: ok 121 # molecular formula
184: ok 122 # molecular weight
184: ok 123 # molecular exact mass
184: ok 124 # molecular hydrogen-added formula
184: ok 125 # molecule + hydrogens weight
184: ok 126 # molecular exact mass after hydrogen addition
184: ok 127 # molecular formula
184: ok 128 # molecular weight
184: ok 129 # molecular exact mass
184: ok 130 # molecular hydrogen-added formula
184: ok 131 # molecule + hydrogens weight
184: ok 132 # molecular exact mass after hydrogen addition
184: ok 133 # molecular formula
184: ok 134 # molecular weight
184: ok 135 # molecular exact mass
184: ok 136 # molecular hydrogen-added formula
184: ok 137 # molecule + hydrogens weight
184: ok 138 # molecular exact mass after hydrogen addition
184: ok 139 # molecular formula
184: ok 140 # molecular weight
184: ok 141 # molecular exact mass
184: ok 142 # molecular hydrogen-added formula
184: ok 143 # molecule + hydrogens weight
184: ok 144 # molecular exact mass after hydrogen addition
184: ok 145 # molecular formula
184: ok 146 # molecular weight
184: ok 147 # molecular exact mass
184: ok 148 # molecular hydrogen-added formula
184: ok 149 # molecule + hydrogens weight
184: ok 150 # molecular exact mass after hydrogen addition
184: ok 151 # molecular formula
184: ok 152 # molecular weight
184: ok 153 # molecular exact mass
184: ok 154 # molecular hydrogen-added formula
184: ok 155 # molecule + hydrogens weight
184: ok 156 # molecular exact mass after hydrogen addition
184: ok 157 # molecular formula
184: ok 158 # molecular weight
184: ok 159 # molecular exact mass
184: ok 160 # molecular hydrogen-added formula
184: ok 161 # molecule + hydrogens weight
184: ok 162 # molecular exact mass after hydrogen addition
184: ok 163 # molecular formula
184: ok 164 # molecular weight
184: ok 165 # molecular exact mass
184: ok 166 # molecular hydrogen-added formula
184: ok 167 # molecule + hydrogens weight
184: ok 168 # molecular exact mass after hydrogen addition
184: ok 169 # molecular formula
184: ok 170 # molecular weight
184: ok 171 # molecular exact mass
184: ok 172 # molecular hydrogen-added formula
184: ok 173 # molecule + hydrogens weight
184: ok 174 # molecular exact mass after hydrogen addition
184: ok 175 # molecular formula
184: ok 176 # molecular weight
184: ok 177 # molecular exact mass
184: ok 178 # molecular hydrogen-added formula
184: ok 179 # molecule + hydrogens weight
184: ok 180 # molecular exact mass after hydrogen addition
184: ok 181 # molecular formula
184: ok 182 # molecular weight
184: ok 183 # molecular exact mass
184: ok 184 # molecular hydrogen-added formula
184: ok 185 # molecule + hydrogens weight
184: ok 186 # molecular exact mass after hydrogen addition
184: ok 187 # molecular formula
184: ok 188 # molecular weight
184: ok 189 # molecular exact mass
184: ok 190 # molecular hydrogen-added formula
184: ok 191 # molecule + hydrogens weight
184: ok 192 # molecular exact mass after hydrogen addition
184: ok 193 # molecular formula
184: ok 194 # molecular weight
184: ok 195 # molecular exact mass
184: ok 196 # molecular hydrogen-added formula
184: ok 197 # molecule + hydrogens weight
184: ok 198 # molecular exact mass after hydrogen addition
184: ok 199 # molecular formula
184: ok 200 # molecular weight
184: ok 201 # molecular exact mass
184: ok 202 # molecular hydrogen-added formula
184: ok 203 # molecule + hydrogens weight
184: ok 204 # molecular exact mass after hydrogen addition
184: ok 205 # molecular formula
184: ok 206 # molecular weight
184: ok 207 # molecular exact mass
184: ok 208 # molecular hydrogen-added formula
184: ok 209 # molecule + hydrogens weight
184: ok 210 # molecular exact mass after hydrogen addition
184: ok 211 # molecular formula
184: ok 212 # molecular weight
184: ok 213 # molecular exact mass
184: ok 214 # molecular hydrogen-added formula
184: ok 215 # molecule + hydrogens weight
184: ok 216 # molecular exact mass after hydrogen addition
184: ok 217 # molecular formula
184: ok 218 # molecular weight
184: ok 219 # molecular exact mass
184: ok 220 # molecular hydrogen-added formula
184: ok 221 # molecule + hydrogens weight
184: ok 222 # molecular exact mass after hydrogen addition
184: ok 223 # molecular formula
184: ok 224 # molecular weight
184: ok 225 # molecular exact mass
184: ok 226 # molecular hydrogen-added formula
184: ok 227 # molecule + hydrogens weight
184: ok 228 # molecular exact mass after hydrogen addition
184: ok 229 # molecular formula
184: ok 230 # molecular weight
184: ok 231 # molecular exact mass
181:     angle   (  4.186,  -1.551,   1.860)  (  4.189,  -1.551,   1.862)  ( 0.07,  0.02,  0.12)
181:     torsion ( -0.343,   0.074,   0.922)  ( -0.343,   0.074,   0.923)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.371,  -0.389,   2.373)  (  6.371,  -0.389,   2.373)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       (  3.014,   2.398,  11.667)  (  3.022,   2.404,  11.675)  ( 0.24,  0.24,  0.06)
181:     bond    ( -6.207,   5.487,   6.557)  ( -6.202,   5.491,   6.563)  ( 0.08,  0.07,  0.08)
181:     angle   (  0.093,  -6.009,   5.115)  (  0.096,  -6.008,   5.117)  ( 0.02,  0.02,  0.03)
181:     torsion ( -0.228,  -0.987,   0.610)  ( -0.228,  -0.987,   0.610)  ( 0.00,  0.05,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.356,   3.907,  -0.615)  (  9.356,   3.907,  -0.615)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       ( 10.342,  -0.931,  -8.154)  ( 10.346,  -0.927,  -8.142)  ( 0.04,  0.42,  0.15)
181:     bond    ( -0.146,   4.226,  -9.796)  ( -0.146,   4.229,  -9.784)  ( 0.00,  0.05,  0.12)
181:     angle   (  3.610,  -6.420,  -2.828)  (  3.614,  -6.418,  -2.828)  ( 0.10,  0.03,  0.01)
181:     torsion (  0.452,  -2.813,  -1.222)  (  0.452,  -2.812,  -1.222)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.425,   4.075,   5.692)  (  6.425,   4.075,   5.692)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( -6.624, -14.288,  -2.175)  ( -6.621, -14.278,  -2.169)  ( 0.05,  0.07,  0.31)
181:     bond    (  0.989, -14.292,  -9.940)  (  0.989, -14.283,  -9.936)  ( 0.01,  0.07,  0.05)
181:     angle   (  8.783,   7.248,  -9.549)  (  8.785,   7.249,  -9.547)  ( 0.03,  0.01,  0.02)
181:     torsion ( -9.476,  -9.922,  13.320)  ( -9.476,  -9.922,  13.320)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.919,   2.677,   3.994)  ( -6.919,   2.677,   3.994)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (  8.994,  -1.935, -21.348)  (  9.005,  -1.929, -21.345)  ( 0.13,  0.30,  0.01)
181:     bond    ( 12.966,   7.217,  -1.458)  ( 12.977,   7.220,  -1.458)  ( 0.08,  0.05,  0.01)
181:     angle   (  2.755,  -7.423, -12.226)  (  2.756,  -7.421, -12.223)  ( 0.02,  0.03,  0.02)
181:     torsion (  2.153,  -6.788, -14.449)  (  2.153,  -6.787, -14.450)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.881,   5.059,   6.785)  ( -8.881,   5.059,   6.785)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       ( -8.671, -11.979,  -0.173)  ( -8.660, -11.973,  -0.169)  ( 0.13,  0.05,  0.06)
181:     bond    (-16.832, -10.136,   1.712)  (-16.822, -10.133,   1.713)  ( 0.06,  0.04,  0.01)
181:     angle   (  6.492,  -9.808,   5.760)  (  6.493,  -9.806,   5.763)  ( 0.01,  0.02,  0.05)
181:     torsion ( -0.020,  -0.277,  -1.833)  ( -0.020,  -0.276,  -1.833)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.689,   8.241,  -5.813)  (  1.689,   8.241,  -5.813)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       (  0.581, -21.765,  10.171)  (  0.590, -21.757,  10.175)  ( 0.53,  0.03,  0.04)
181:     bond    ( 15.609, -12.895,   6.060)  ( 15.617, -12.890,   6.061)  ( 0.05,  0.04,  0.02)
181:     angle   ( -5.964,  -6.114,   2.360)  ( -5.963,  -6.113,   2.363)  ( 0.02,  0.02,  0.12)
181:     torsion ( -8.008,  -7.854,   3.930)  ( -8.008,  -7.853,   3.930)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
184: ok 232 # molecular hydrogen-added formula
184: ok 233 # molecule + hydrogens weight
184: ok 234 # molecular exact mass after hydrogen addition
184: ok 235 # molecular formula
184: ok 236 # molecular weight
184: ok 237 # molecular exact mass
184: ok 238 # molecular hydrogen-added formula
184: ok 239 # molecule + hydrogens weight
184: ok 240 # molecular exact mass after hydrogen addition
184: ok 241 # molecular formula
184: ok 242 # molecular weight
184: ok 243 # molecular exact mass
184: ok 244 # molecular hydrogen-added formula
184: ok 245 # molecule + hydrogens weight
184: ok 246 # molecular exact mass after hydrogen addition
184: ok 247 # molecular formula
184: ok 248 # molecular weight
184: ok 249 # molecular exact mass
184: ok 250 # molecular hydrogen-added formula
184: ok 251 # molecule + hydrogens weight
184: ok 252 # molecular exact mass after hydrogen addition
184: ok 253 # molecular formula
184: ok 254 # molecular weight
184: ok 255 # molecular exact mass
184: ok 256 # molecular hydrogen-added formula
184: ok 257 # molecule + hydrogens weight
184: ok 258 # molecular exact mass after hydrogen addition
184: ok 259 # molecular formula
184: ok 260 # molecular weight
184: ok 261 # molecular exact mass
184: ok 262 # molecular hydrogen-added formula
184: ok 263 # molecule + hydrogens weight
184: ok 264 # molecular exact mass after hydrogen addition
184: ok 265 # molecular formula
184: ok 266 # molecular weight
184: ok 267 # molecular exact mass
184: ok 268 # molecular hydrogen-added formula
184: ok 269 # molecule + hydrogens weight
184: ok 270 # molecular exact mass after hydrogen addition
184: ok 271 # molecular formula
184: ok 272 # molecular weight
184: ok 273 # molecular exact mass
184: ok 274 # molecular hydrogen-added formula
184: ok 275 # molecule + hydrogens weight
184: ok 276 # molecular exact mass after hydrogen addition
184: ok 277 # molecular formula
184: ok 278 # molecular weight
184: ok 279 # molecular exact mass
184: ok 280 # molecular hydrogen-added formula
184: ok 281 # molecule + hydrogens weight
184: ok 282 # molecular exact mass after hydrogen addition
184: ok 283 # molecular formula
184: ok 284 # molecular weight
184: ok 285 # molecular exact mass
184: ok 286 # molecular hydrogen-added formula
184: ok 287 # molecule + hydrogens weight
184: ok 288 # molecular exact mass after hydrogen addition
184: ok 289 # molecular formula
184: ok 290 # molecular weight
184: ok 291 # molecular exact mass
184: ok 292 # molecular hydrogen-added formula
184: ok 293 # molecule + hydrogens weight
184: ok 294 # molecular exact mass after hydrogen addition
184: ok 295 # molecular formula
184: ok 296 # molecular weight
184: ok 297 # molecular exact mass
184: ok 298 # molecular hydrogen-added formula
184: ok 299 # molecule + hydrogens weight
184: ok 300 # molecular exact mass after hydrogen addition
184: ok 301 # molecular formula
184: ok 302 # molecular weight
184: ok 303 # molecular exact mass
184: ok 304 # molecular hydrogen-added formula
184: ok 305 # molecule + hydrogens weight
184: ok 306 # molecular exact mass after hydrogen addition
184: ok 307 # molecular formula
184: ok 308 # molecular weight
184: ok 309 # molecular exact mass
184: ok 310 # molecular hydrogen-added formula
184: ok 311 # molecule + hydrogens weight
184: ok 312 # molecular exact mass after hydrogen addition
184: ok 313 # molecular formula
184: ok 314 # molecular weight
184: ok 315 # molecular exact mass
184: ok 316 # molecular hydrogen-added formula
184: ok 317 # molecule + hydrogens weight
184: ok 318 # molecular exact mass after hydrogen addition
184: ok 319 # molecular formula
184: ok 320 # molecular weight
184: ok 321 # molecular exact mass
184: ok 322 # molecular hydrogen-added formula
184: ok 323 # molecule + hydrogens weight
184: ok 324 # molecular exact mass after hydrogen addition
184: ok 325 # molecular formula
184: ok 326 # molecular weight
184: ok 327 # molecular exact mass
184: ok 328 # molecular hydrogen-added formula
184: ok 329 # molecule + hydrogens weight
184: ok 330 # molecular exact mass after hydrogen addition
184: ok 331 # molecular formula
184: ok 332 # molecular weight
184: ok 333 # molecular exact mass
184: ok 334 # molecular hydrogen-added formula
184: ok 335 # molecule + hydrogens weight
184: ok 336 # molecular exact mass after hydrogen addition
184: ok 337 # molecular formula
184: ok 338 # molecular weight
184: ok 339 # molecular exact mass
184: ok 340 # molecular hydrogen-added formula
184: ok 341 # molecule + hydrogens weight
184: ok 342 # molecular exact mass after hydrogen addition
184: ok 343 # molecular formula
184: ok 344 # molecular weight
184: ok 345 # molecular exact mass
181:     vdw     ( -1.057,   5.099,  -2.180)  ( -1.057,   5.099,  -2.179)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       (  2.912,  13.405,  16.850)  (  2.914,  13.409,  16.863)  ( 0.09,  0.03,  0.08)
181:     bond    ( -1.242,  -3.976,  13.089)  ( -1.242,  -3.975,  13.101)  ( 0.01,  0.03,  0.10)
181:     angle   ( -1.996,  20.852,   6.138)  ( -1.994,  20.855,   6.138)  ( 0.09,  0.01,  0.00)
181:     torsion (  5.685,  -0.198,   0.479)  (  5.686,  -0.198,   0.479)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.465,  -3.273,  -2.855)  (  0.465,  -3.273,  -2.855)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       (  0.638,  16.986,   4.348)  (  0.648,  16.991,   4.350)  ( 0.67,  0.04,  0.06)
181:     bond    ( 10.808,   6.980,  -0.988)  ( 10.817,   6.984,  -0.988)  ( 0.09,  0.06,  0.01)
181:     angle   ( -6.882,  12.809,  15.223)  ( -6.881,  12.811,  15.225)  ( 0.01,  0.01,  0.01)
181:     torsion ( -2.284,   2.981,  -3.935)  ( -2.284,   2.981,  -3.935)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.004,  -5.785,  -5.952)  ( -1.004,  -5.784,  -5.952)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       ( -5.490,  12.050,   9.477)  ( -5.480,  12.057,   9.480)  ( 0.17,  0.06,  0.04)
181:     bond    ( -8.767,   6.776,  -2.293)  ( -8.759,   6.781,  -2.292)  ( 0.10,  0.07,  0.03)
181:     angle   (  5.404,  14.181,  21.304)  (  5.405,  14.183,  21.306)  ( 0.02,  0.01,  0.01)
181:     torsion ( -3.779,  -3.434,   4.280)  ( -3.778,  -3.434,   4.281)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.652,  -5.474, -13.815)  (  1.652,  -5.474, -13.814)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 36 # gradients 
181: 1..36
179:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
179:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
179:     electro (  0.002,   0.077,   0.032)  (  0.002,   0.077,   0.032)  ( 0.00,  0.00,  0.00)
179:  7       (  3.021,   6.551,  -0.598)  (  3.026,   6.556,  -0.596)  ( 0.16,  0.08,  0.15)
179:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
179:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
179:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.008,  -2.170,   0.172)  ( -1.008,  -2.170,   0.172)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
179:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
179:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
179:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
179:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
179:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
179:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  0.125,  -1.325,   0.049)  (  0.131,  -1.320,   0.054)  ( 0.07,  0.40,  0.03)
179:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
179:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
179:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.066,   0.423,  -0.077)  ( -0.066,   0.423,  -0.077)  ( 0.00,  0.00,  0.00)
179: 11       (  0.736,   2.170,  -0.004)  (  0.752,   2.188,  -0.139)  ( 1.17,  0.84,  0.05)
179:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
179:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
179:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
179:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
179:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.233,  -0.725,  -0.034)  ( -0.233,  -0.725,  -0.034)  ( 0.00,  0.00,  0.00)
179: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
184: ok 346 # molecular hydrogen-added formula
184: ok 347 # molecule + hydrogens weight
184: ok 348 # molecular exact mass after hydrogen addition
184: ok 349 # molecular formula
184: ok 350 # molecular weight
184: ok 351 # molecular exact mass
184: ok 352 # molecular hydrogen-added formula
184: ok 353 # molecule + hydrogens weight
184: ok 354 # molecular exact mass after hydrogen addition
184: ok 355 # molecular formula
184: ok 356 # molecular weight
184: ok 357 # molecular exact mass
184: ok 358 # molecular hydrogen-added formula
184: ok 359 # molecule + hydrogens weight
184: ok 360 # molecular exact mass after hydrogen addition
184: ok 361 # molecular formula
184: ok 362 # molecular weight
184: ok 363 # molecular exact mass
184: ok 364 # molecular hydrogen-added formula
184: ok 365 # molecule + hydrogens weight
184: ok 366 # molecular exact mass after hydrogen addition
184: ok 367 # molecular formula
184: ok 368 # molecular weight
184: ok 369 # molecular exact mass
184: ok 370 # molecular hydrogen-added formula
184: ok 371 # molecule + hydrogens weight
184: ok 372 # molecular exact mass after hydrogen addition
184: ok 373 # molecular formula
184: ok 374 # molecular weight
184: ok 375 # molecular exact mass
184: ok 376 # molecular hydrogen-added formula
184: ok 377 # molecule + hydrogens weight
184: ok 378 # molecular exact mass after hydrogen addition
184: ok 379 # molecular formula
184: ok 380 # molecular weight
184: ok 381 # molecular exact mass
184: ok 382 # molecular hydrogen-added formula
184: ok 383 # molecule + hydrogens weight
184: ok 384 # molecular exact mass after hydrogen addition
184: ok 385 # molecular formula
184: ok 386 # molecular weight
184: ok 387 # molecular exact mass
184: ok 388 # molecular hydrogen-added formula
184: ok 389 # molecule + hydrogens weight
184: ok 390 # molecular exact mass after hydrogen addition
184: ok 391 # molecular formula
184: ok 392 # molecular weight
184: ok 393 # molecular exact mass
184: ok 394 # molecular hydrogen-added formula
184: ok 395 # molecule + hydrogens weight
184: ok 396 # molecular exact mass after hydrogen addition
184: ok 397 # molecular formula
184: ok 398 # molecular weight
184: ok 399 # molecular exact mass
184: ok 400 # molecular hydrogen-added formula
184: ok 401 # molecule + hydrogens weight
184: ok 402 # molecular exact mass after hydrogen addition
184: ok 403 # molecular formula
184: ok 404 # molecular weight
184: ok 405 # molecular exact mass
184: ok 406 # molecular hydrogen-added formula
184: ok 407 # molecule + hydrogens weight
184: ok 408 # molecular exact mass after hydrogen addition
184: ok 409 # molecular formula
184: ok 410 # molecular weight
184: ok 411 # molecular exact mass
184: ok 412 # molecular hydrogen-added formula
184: ok 413 # molecule + hydrogens weight
184: ok 414 # molecular exact mass after hydrogen addition
184: ok 415 # molecular formula
184: ok 416 # molecular weight
184: ok 417 # molecular exact mass
184: ok 418 # molecular hydrogen-added formula
184: ok 419 # molecule + hydrogens weight
184: ok 420 # molecular exact mass after hydrogen addition
184: ok 421 # molecular formula
184: ok 422 # molecular weight
184: ok 423 # molecular exact mass
184: ok 424 # molecular hydrogen-added formula
184: ok 425 # molecule + hydrogens weight
184: ok 426 # molecular exact mass after hydrogen addition
184: ok 427 # molecular formula
184: ok 428 # molecular weight
184: ok 429 # molecular exact mass
184: ok 430 # molecular hydrogen-added formula
184: ok 431 # molecule + hydrogens weight
184: ok 432 # molecular exact mass after hydrogen addition
184: ok 433 # molecular formula
184: ok 434 # molecular weight
184: ok 435 # molecular exact mass
184: ok 436 # molecular hydrogen-added formula
184: ok 437 # molecule + hydrogens weight
184: ok 438 # molecular exact mass after hydrogen addition
184: ok 439 # molecular formula
184: ok 440 # molecular weight
184: ok 441 # molecular exact mass
184: ok 442 # molecular hydrogen-added formula
184: ok 443 # molecule + hydrogens weight
184: ok 444 # molecular exact mass after hydrogen addition
184: ok 445 # molecular formula
184: ok 446 # molecular weight
184: ok 447 # molecular exact mass
184: ok 448 # molecular hydrogen-added formula
184: ok 449 # molecule + hydrogens weight
184: ok 450 # molecular exact mass after hydrogen addition
184: ok 451 # molecular formula
184: ok 452 # molecular weight
184: ok 453 # molecular exact mass
184: ok 454 # molecular hydrogen-added formula
184: ok 455 # molecule + hydrogens weight
184: ok 456 # molecular exact mass after hydrogen addition
184: ok 457 # molecular formula
184: ok 458 # molecular weight
181/223 Test #181: test_ffuff_1 .....................   Passed    0.79 sec
test 185
        Start 185: test_internalcoord_1
185: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "internalcoord" "1"
185: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
185: Environment variables: 
185:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
185:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
185: Test timeout computed to be: 1500
184: ok 459 # molecular exact mass
184: ok 460 # molecular hydrogen-added formula
184: ok 461 # molecule + hydrogens weight
184: ok 462 # molecular exact mass after hydrogen addition
184: ok 463 # molecular formula
184: ok 464 # molecular weight
184: ok 465 # molecular exact mass
184: ok 466 # molecular hydrogen-added formula
184: ok 467 # molecule + hydrogens weight
184: ok 468 # molecular exact mass after hydrogen addition
184: ok 469 # molecular formula
184: ok 470 # molecular weight
184: ok 471 # molecular exact mass
184: ok 472 # molecular hydrogen-added formula
184: ok 473 # molecule + hydrogens weight
184: ok 474 # molecular exact mass after hydrogen addition
184: ok 475 # molecular formula
184: ok 476 # molecular weight
184: ok 477 # molecular exact mass
184: ok 478 # molecular hydrogen-added formula
184: ok 479 # molecule + hydrogens weight
184: ok 480 # molecular exact mass after hydrogen addition
184: ok 481 # molecular formula
184: ok 482 # molecular weight
184: ok 483 # molecular exact mass
184: ok 484 # molecular hydrogen-added formula
184: ok 485 # molecule + hydrogens weight
184: ok 486 # molecular exact mass after hydrogen addition
184: ok 487 # molecular formula
184: ok 488 # molecular weight
184: ok 489 # molecular exact mass
184: ok 490 # molecular hydrogen-added formula
184: ok 491 # molecule + hydrogens weight
184: ok 492 # molecular exact mass after hydrogen addition
184: ok 493 # molecular formula
184: ok 494 # molecular weight
184: ok 495 # molecular exact mass
184: ok 496 # molecular hydrogen-added formula
184: ok 497 # molecule + hydrogens weight
184: ok 498 # molecular exact mass after hydrogen addition
184: ok 499 # molecular formula
184: ok 500 # molecular weight
184: ok 501 # molecular exact mass
184: ok 502 # molecular hydrogen-added formula
184: ok 503 # molecule + hydrogens weight
184: ok 504 # molecular exact mass after hydrogen addition
184: ok 505 # molecular formula
184: ok 506 # molecular weight
184: ok 507 # molecular exact mass
184: ok 508 # molecular hydrogen-added formula
184: ok 509 # molecule + hydrogens weight
184: ok 510 # molecular exact mass after hydrogen addition
184: ok 511 # molecular formula
184: ok 512 # molecular weight
184: ok 513 # molecular exact mass
184: ok 514 # molecular hydrogen-added formula
184: ok 515 # molecule + hydrogens weight
184: ok 516 # molecular exact mass after hydrogen addition
184: ok 517 # molecular formula
184: ok 518 # molecular weight
184: ok 519 # molecular exact mass
184: ok 520 # molecular hydrogen-added formula
184: ok 521 # molecule + hydrogens weight
184: ok 522 # molecular exact mass after hydrogen addition
184: ok 523 # molecular formula
184: ok 524 # molecular weight
184: ok 525 # molecular exact mass
184: ok 526 # molecular hydrogen-added formula
184: ok 527 # molecule + hydrogens weight
184: ok 528 # molecular exact mass after hydrogen addition
184: ok 529 # molecular formula
184: ok 530 # molecular weight
184: ok 531 # molecular exact mass
184: ok 532 # molecular hydrogen-added formula
184: ok 533 # molecule + hydrogens weight
184: ok 534 # molecular exact mass after hydrogen addition
184: ok 535 # molecular formula
184: ok 536 # molecular weight
184: ok 537 # molecular exact mass
184: ok 538 # molecular hydrogen-added formula
184: ok 539 # molecule + hydrogens weight
184: ok 540 # molecular exact mass after hydrogen addition
184: ok 541 # molecular formula
184: ok 542 # molecular weight
184: ok 543 # molecular exact mass
184: ok 544 # molecular hydrogen-added formula
184: ok 545 # molecule + hydrogens weight
184: ok 546 # molecular exact mass after hydrogen addition
184: ok 547 # molecular formula
184: ok 548 # molecular weight
184: ok 549 # molecular exact mass
184: ok 550 # molecular hydrogen-added formula
184: ok 551 # molecule + hydrogens weight
184: ok 552 # molecular exact mass after hydrogen addition
184: ok 553 # molecular formula
184: ok 554 # molecular weight
184: ok 555 # molecular exact mass
184: ok 556 # molecular hydrogen-added formula
184: ok 557 # molecule + hydrogens weight
184: ok 558 # molecular exact mass after hydrogen addition
184: ok 559 # molecular formula
184: ok 560 # molecular weight
184: ok 561 # molecular exact mass
184: ok 562 # molecular hydrogen-added formula
184: ok 563 # molecule + hydrogens weight
184: ok 564 # molecular exact mass after hydrogen addition
184: ok 565 # molecular formula
184: ok 566 # molecular weight
184: ok 567 # molecular exact mass
184: ok 568 # molecular hydrogen-added formula
184: ok 569 # molecule + hydrogens weight
184: ok 570 # molecular exact mass after hydrogen addition
184: ok 571 # molecular formula
184: ok 572 # molecular weight
184: ok 573 # molecular exact mass
184: ok 574 # molecular hydrogen-added formula
184: ok 575 # molecule + hydrogens weight
184: ok 576 # molecular exact mass after hydrogen addition
184: ok 577 # molecular formula
184: ok 578 # molecular weight
184: ok 579 # molecular exact mass
184: ok 580 # molecular hydrogen-added formula
184: ok 581 # molecule + hydrogens weight
184: ok 582 # molecular exact mass after hydrogen addition
184: ok 583 # molecular formula
184: ok 584 # molecular weight
184: ok 585 # molecular exact mass
184: ok 586 # molecular hydrogen-added formula
184: ok 587 # molecule + hydrogens weight
184: ok 588 # molecular exact mass after hydrogen addition
184: ok 589 # molecular formula
184: ok 590 # molecular weight
184: ok 591 # molecular exact mass
184: ok 592 # molecular hydrogen-added formula
184: ok 593 # molecule + hydrogens weight
184: ok 594 # molecular exact mass after hydrogen addition
184: ok 595 # molecular formula
184: ok 596 # molecular weight
184: ok 597 # molecular exact mass
184: ok 598 # molecular hydrogen-added formula
184: ok 599 # molecule + hydrogens weight
184: ok 600 # molecular exact mass after hydrogen addition
184: ok 601 # molecular formula
184: ok 602 # molecular weight
184: ok 603 # molecular exact mass
184: ok 604 # molecular hydrogen-added formula
184: ok 605 # molecule + hydrogens weight
184: ok 606 # molecular exact mass after hydrogen addition
184: ok 607 # molecular formula
184: ok 608 # molecular weight
184: ok 609 # molecular exact mass
184: ok 610 # molecular hydrogen-added formula
184: ok 611 # molecule + hydrogens weight
184: ok 612 # molecular exact mass after hydrogen addition
184: ok 613 # molecular formula
184: ok 614 # molecular weight
184: ok 615 # molecular exact mass
184: ok 616 # molecular hydrogen-added formula
184: ok 617 # molecule + hydrogens weight
184: ok 618 # molecular exact mass after hydrogen addition
184: ok 619 # molecular formula
184: ok 620 # molecular weight
184: ok 621 # molecular exact mass
184: ok 622 # molecular hydrogen-added formula
184: ok 623 # molecule + hydrogens weight
184: ok 624 # molecular exact mass after hydrogen addition
184: ok 625 # molecular formula
184: ok 626 # molecular weight
184: ok 627 # molecular exact mass
184: ok 628 # molecular hydrogen-added formula
184: ok 629 # molecule + hydrogens weight
184: ok 630 # molecular exact mass after hydrogen addition
184: ok 631 # molecular formula
184: ok 632 # molecular weight
184: ok 633 # molecular exact mass
184: ok 634 # molecular hydrogen-added formula
184: ok 635 # molecule + hydrogens weight
184: ok 636 # molecular exact mass after hydrogen addition
184: ok 637 # molecular formula
184: ok 638 # molecular weight
184: ok 639 # molecular exact mass
184: ok 640 # molecular hydrogen-added formula
184: ok 641 # molecule + hydrogens weight
184: ok 642 # molecular exact mass after hydrogen addition
184: ok 643 # molecular formula
184: ok 644 # molecular weight
184: ok 645 # molecular exact mass
184: ok 646 # molecular hydrogen-added formula
184: ok 647 # molecule + hydrogens weight
184: ok 648 # molecular exact mass after hydrogen addition
184: ok 649 # molecular formula
184: ok 650 # molecular weight
184: ok 651 # molecular exact mass
184: ok 652 # molecular hydrogen-added formula
184: ok 653 # molecule + hydrogens weight
184: ok 654 # molecular exact mass after hydrogen addition
184: ok 655 # molecular formula
184: ok 656 # molecular weight
184: ok 657 # molecular exact mass
184: ok 658 # molecular hydrogen-added formula
184: ok 659 # molecule + hydrogens weight
184: ok 660 # molecular exact mass after hydrogen addition
184: ok 661 # molecular formula
184: ok 662 # molecular weight
184: ok 663 # molecular exact mass
184: ok 664 # molecular hydrogen-added formula
184: ok 665 # molecule + hydrogens weight
184: ok 666 # molecular exact mass after hydrogen addition
184: ok 667 # molecular formula
184: ok 668 # molecular weight
184: ok 669 # molecular exact mass
184: ok 670 # molecular hydrogen-added formula
184: ok 671 # molecule + hydrogens weight
184: ok 672 # molecular exact mass after hydrogen addition
184: ok 673 # molecular formula
184: ok 674 # molecular weight
184: ok 675 # molecular exact mass
184: ok 676 # molecular hydrogen-added formula
184: ok 677 # molecule + hydrogens weight
184: ok 678 # molecular exact mass after hydrogen addition
184: ok 679 # molecular formula
184: ok 680 # molecular weight
184: ok 681 # molecular exact mass
184: ok 682 # molecular hydrogen-added formula
184: ok 683 # molecule + hydrogens weight
184: ok 684 # molecular exact mass after hydrogen addition
184: ok 685 # molecular formula
184: ok 686 # molecular weight
179:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
179:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
179:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
179:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
179:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
179:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
179:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
179:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
179:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
179:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
179:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (  0.085,   0.267,   0.463)  (  0.090,   0.268,   0.460)  ( 0.04,  0.03,  0.13)
179:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
179:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
179:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.102,  -0.148,  -0.039)  ( -0.102,  -0.148,  -0.039)  ( 0.00,  0.00,  0.00)
179: 17       (  0.030,  -0.337,   0.354)  (  0.031,  -0.333,   0.349)  ( 0.00,  0.14,  0.18)
179:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
179:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
184: ok 687 # molecular exact mass
184: ok 688 # molecular hydrogen-added formula
184: ok 689 # molecule + hydrogens weight
184: ok 690 # molecular exact mass after hydrogen addition
184: ok 691 # molecular formula
184: ok 692 # molecular weight
184: ok 693 # molecular exact mass
184: ok 694 # molecular hydrogen-added formula
184: ok 695 # molecule + hydrogens weight
184: ok 696 # molecular exact mass after hydrogen addition
184: ok 697 # molecular formula
184: ok 698 # molecular weight
184: ok 699 # molecular exact mass
184: ok 700 # molecular hydrogen-added formula
184: ok 701 # molecule + hydrogens weight
184: ok 702 # molecular exact mass after hydrogen addition
184: ok 703 # molecular formula
184: ok 704 # molecular weight
184: ok 705 # molecular exact mass
184: ok 706 # molecular hydrogen-added formula
184: ok 707 # molecule + hydrogens weight
184: ok 708 # molecular exact mass after hydrogen addition
184: ok 709 # molecular formula
184: ok 710 # molecular weight
184: ok 711 # molecular exact mass
184: ok 712 # molecular hydrogen-added formula
184: ok 713 # molecule + hydrogens weight
184: ok 714 # molecular exact mass after hydrogen addition
184: ok 715 # molecular formula
184: ok 716 # molecular weight
184: ok 717 # molecular exact mass
184: ok 718 # molecular hydrogen-added formula
184: ok 719 # molecule + hydrogens weight
184: ok 720 # molecular exact mass after hydrogen addition
184: ok 721 # molecular formula
184: ok 722 # molecular weight
184: ok 723 # molecular exact mass
184: ok 724 # molecular hydrogen-added formula
184: ok 725 # molecule + hydrogens weight
184: ok 726 # molecular exact mass after hydrogen addition
184: ok 727 # molecular formula
184: ok 728 # molecular weight
184: ok 729 # molecular exact mass
184: ok 730 # molecular hydrogen-added formula
184: ok 731 # molecule + hydrogens weight
184: ok 732 # molecular exact mass after hydrogen addition
184: ok 733 # molecular formula
184: ok 734 # molecular weight
184: ok 735 # molecular exact mass
184: ok 736 # molecular hydrogen-added formula
184: ok 737 # molecule + hydrogens weight
184: ok 738 # molecular exact mass after hydrogen addition
184: ok 739 # molecular formula
184: ok 740 # molecular weight
184: ok 741 # molecular exact mass
184: ok 742 # molecular hydrogen-added formula
184: ok 743 # molecule + hydrogens weight
184: ok 744 # molecular exact mass after hydrogen addition
184: ok 745 # molecular formula
184: ok 746 # molecular weight
184: ok 747 # molecular exact mass
184: ok 748 # molecular hydrogen-added formula
184: ok 749 # molecule + hydrogens weight
184: ok 750 # molecular exact mass after hydrogen addition
184: ok 751 # molecular formula
184: ok 752 # molecular weight
184: ok 753 # molecular exact mass
184: ok 754 # molecular hydrogen-added formula
184: ok 755 # molecule + hydrogens weight
184: ok 756 # molecular exact mass after hydrogen addition
184: ok 757 # molecular formula
184: ok 758 # molecular weight
184: ok 759 # molecular exact mass
184: ok 760 # molecular hydrogen-added formula
184: ok 761 # molecule + hydrogens weight
184: ok 762 # molecular exact mass after hydrogen addition
184: ok 763 # molecular formula
184: ok 764 # molecular weight
184: ok 765 # molecular exact mass
184: ok 766 # molecular hydrogen-added formula
184: ok 767 # molecule + hydrogens weight
184: ok 768 # molecular exact mass after hydrogen addition
184: ok 769 # molecular formula
184: ok 770 # molecular weight
184: ok 771 # molecular exact mass
184: ok 772 # molecular hydrogen-added formula
184: ok 773 # molecule + hydrogens weight
184: ok 774 # molecular exact mass after hydrogen addition
184: ok 775 # molecular formula
184: ok 776 # molecular weight
184: ok 777 # molecular exact mass
184: ok 778 # molecular hydrogen-added formula
184: ok 779 # molecule + hydrogens weight
184: ok 780 # molecular exact mass after hydrogen addition
184: ok 781 # molecular formula
184: ok 782 # molecular weight
184: ok 783 # molecular exact mass
184: ok 784 # molecular hydrogen-added formula
184: ok 785 # molecule + hydrogens weight
184: ok 786 # molecular exact mass after hydrogen addition
184: ok 787 # molecular formula
184: ok 788 # molecular weight
184: ok 789 # molecular exact mass
184: ok 790 # molecular hydrogen-added formula
184: ok 791 # molecule + hydrogens weight
184: ok 792 # molecular exact mass after hydrogen addition
184: ok 793 # molecular formula
184: ok 794 # molecular weight
184: ok 795 # molecular exact mass
184: ok 796 # molecular hydrogen-added formula
184: ok 797 # molecule + hydrogens weight
184: ok 798 # molecular exact mass after hydrogen addition
184: ok 799 # molecular formula
185: # Unit tests for z-matrix conversion 
185: 1..2
185: ok 1
185: ok 2
184: ok 800 # molecular weight
184: ok 801 # molecular exact mass
184: ok 802 # molecular hydrogen-added formula
184: ok 803 # molecule + hydrogens weight
184: ok 804 # molecular exact mass after hydrogen addition
184: ok 805 # molecular formula
184: ok 806 # molecular weight
184: ok 807 # molecular exact mass
184: ok 808 # molecular hydrogen-added formula
184: ok 809 # molecule + hydrogens weight
184: ok 810 # molecular exact mass after hydrogen addition
184: ok 811 # molecular formula
184: ok 812 # molecular weight
184: ok 813 # molecular exact mass
184: ok 814 # molecular hydrogen-added formula
184: ok 815 # molecule + hydrogens weight
184: ok 816 # molecular exact mass after hydrogen addition
184: ok 817 # molecular formula
184: ok 818 # molecular weight
184: ok 819 # molecular exact mass
184: ok 820 # molecular hydrogen-added formula
184: ok 821 # molecule + hydrogens weight
184: ok 822 # molecular exact mass after hydrogen addition
184: ok 823 # molecular formula
184: ok 824 # molecular weight
184: ok 825 # molecular exact mass
184: ok 826 # molecular hydrogen-added formula
184: ok 827 # molecule + hydrogens weight
184: ok 828 # molecular exact mass after hydrogen addition
184: ok 829 # molecular formula
184: ok 830 # molecular weight
184: ok 831 # molecular exact mass
184: ok 832 # molecular hydrogen-added formula
184: ok 833 # molecule + hydrogens weight
184: ok 834 # molecular exact mass after hydrogen addition
184: ok 835 # molecular formula
184: ok 836 # molecular weight
184: ok 837 # molecular exact mass
184: ok 838 # molecular hydrogen-added formula
184: ok 839 # molecule + hydrogens weight
184: ok 840 # molecular exact mass after hydrogen addition
184: ok 841 # molecular formula
184: ok 842 # molecular weight
184: ok 843 # molecular exact mass
184: ok 844 # molecular hydrogen-added formula
184: ok 845 # molecule + hydrogens weight
184: ok 846 # molecular exact mass after hydrogen addition
184: ok 847 # molecular formula
184: ok 848 # molecular weight
184: ok 849 # molecular exact mass
184: ok 850 # molecular hydrogen-added formula
184: ok 851 # molecule + hydrogens weight
184: ok 852 # molecular exact mass after hydrogen addition
184: ok 853 # molecular formula
184: ok 854 # molecular weight
184: ok 855 # molecular exact mass
184: ok 856 # molecular hydrogen-added formula
184: ok 857 # molecule + hydrogens weight
184: ok 858 # molecular exact mass after hydrogen addition
184: ok 859 # molecular formula
184: ok 860 # molecular weight
184: ok 861 # molecular exact mass
184: ok 862 # molecular hydrogen-added formula
184: ok 863 # molecule + hydrogens weight
184: ok 864 # molecular exact mass after hydrogen addition
184: ok 865 # molecular formula
184: ok 866 # molecular weight
184: ok 867 # molecular exact mass
184: ok 868 # molecular hydrogen-added formula
184: ok 869 # molecule + hydrogens weight
184: ok 870 # molecular exact mass after hydrogen addition
184: ok 871 # molecular formula
184: ok 872 # molecular weight
184: ok 873 # molecular exact mass
184: ok 874 # molecular hydrogen-added formula
184: ok 875 # molecule + hydrogens weight
184: ok 876 # molecular exact mass after hydrogen addition
184: ok 877 # molecular formula
184: ok 878 # molecular weight
184: ok 879 # molecular exact mass
184: ok 880 # molecular hydrogen-added formula
184: ok 881 # molecule + hydrogens weight
184: ok 882 # molecular exact mass after hydrogen addition
184: ok 883 # molecular formula
184: ok 884 # molecular weight
184: ok 885 # molecular exact mass
184: ok 886 # molecular hydrogen-added formula
184: ok 887 # molecule + hydrogens weight
184: ok 888 # molecular exact mass after hydrogen addition
184: ok 889 # molecular formula
184: ok 890 # molecular weight
184: ok 891 # molecular exact mass
184: ok 892 # molecular hydrogen-added formula
184: ok 893 # molecule + hydrogens weight
184: ok 894 # molecular exact mass after hydrogen addition
184: ok 895 # molecular formula
184: ok 896 # molecular weight
184: ok 897 # molecular exact mass
184: ok 898 # molecular hydrogen-added formula
184: ok 899 # molecule + hydrogens weight
184: ok 900 # molecular exact mass after hydrogen addition
184: ok 901 # molecular formula
184: ok 902 # molecular weight
184: ok 903 # molecular exact mass
184: ok 904 # molecular hydrogen-added formula
184: ok 905 # molecule + hydrogens weight
184: ok 906 # molecular exact mass after hydrogen addition
184: ok 907 # molecular formula
184: ok 908 # molecular weight
184: ok 909 # molecular exact mass
184: ok 910 # molecular hydrogen-added formula
184: ok 911 # molecule + hydrogens weight
184: ok 912 # molecular exact mass after hydrogen addition
184: ok 913 # molecular formula
182/223 Test #185: test_internalcoord_1 .............   Passed    0.01 sec
test 186
        Start 186: test_invalidsmarts_1
186: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "invalidsmarts" "1"
186: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
186: Environment variables: 
186:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
186:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
186: Test timeout computed to be: 1500
179:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.067,   0.112,  -0.048)  ( -0.067,   0.112,  -0.048)  ( 0.00,  0.00,  0.00)
179: 18       (  0.234,   1.955,  -3.552)  (  0.255,   1.935,  -3.562)  ( 0.49,  1.01,  0.28)
179:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
179:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
179:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
179:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
179:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.105,  -0.663,   1.165)  ( -0.105,  -0.663,   1.165)  ( 0.00,  0.00,  0.00)
179: 19       (  0.354,   2.120,   0.056)  (  0.365,   2.131,   0.061)  ( 0.39,  0.51,  0.03)
179:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
179:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
179:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
179:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
179:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.137,  -0.705,   0.098)  ( -0.137,  -0.705,   0.098)  ( 0.00,  0.00,  0.00)
179: 20       ( -4.758,  -2.921,   1.091)  ( -4.871,  -2.872,   1.165)  ( 2.36,  1.67,  6.80)
179:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
179:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
179:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
179:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
179:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
179:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
179:     electro (  1.791,   1.160,  -0.235)  (  1.791,   1.160,  -0.235)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
179:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
179:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( -1.234,   0.590,   0.291)  ( -1.240,   0.580,   0.298)  ( 0.44,  0.58,  0.20)
179:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
179:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
179:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
179:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
179:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
179:     electro (  0.348,  -0.267,  -0.229)  (  0.348,  -0.267,  -0.229)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.424,  -0.244,  -0.447)  ( -0.417,  -0.238,  -0.440)  ( 0.27,  0.14,  0.33)
179:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
184: ok 914 # molecular weight
184: ok 915 # molecular exact mass
184: ok 916 # molecular hydrogen-added formula
184: ok 917 # molecule + hydrogens weight
184: ok 918 # molecular exact mass after hydrogen addition
184: ok 919 # molecular formula
184: ok 920 # molecular weight
184: ok 921 # molecular exact mass
184: ok 922 # molecular hydrogen-added formula
184: ok 923 # molecule + hydrogens weight
184: ok 924 # molecular exact mass after hydrogen addition
184: ok 925 # molecular formula
184: ok 926 # molecular weight
184: ok 927 # molecular exact mass
184: ok 928 # molecular hydrogen-added formula
184: ok 929 # molecule + hydrogens weight
184: ok 930 # molecular exact mass after hydrogen addition
184: ok 931 # molecular formula
184: ok 932 # molecular weight
184: ok 933 # molecular exact mass
184: ok 934 # molecular hydrogen-added formula
184: ok 935 # molecule + hydrogens weight
184: ok 936 # molecular exact mass after hydrogen addition
184: ok 937 # molecular formula
184: ok 938 # molecular weight
184: ok 939 # molecular exact mass
184: ok 940 # molecular hydrogen-added formula
184: ok 941 # molecule + hydrogens weight
184: ok 942 # molecular exact mass after hydrogen addition
184: ok 943 # molecular formula
184: ok 944 # molecular weight
184: ok 945 # molecular exact mass
184: ok 946 # molecular hydrogen-added formula
184: ok 947 # molecule + hydrogens weight
184: ok 948 # molecular exact mass after hydrogen addition
184: ok 949 # molecular formula
184: ok 950 # molecular weight
184: ok 951 # molecular exact mass
184: ok 952 # molecular hydrogen-added formula
184: ok 953 # molecule + hydrogens weight
184: ok 954 # molecular exact mass after hydrogen addition
184: ok 955 # molecular formula
184: ok 956 # molecular weight
184: ok 957 # molecular exact mass
184: ok 958 # molecular hydrogen-added formula
184: ok 959 # molecule + hydrogens weight
184: ok 960 # molecular exact mass after hydrogen addition
184: ok 961 # molecular formula
184: ok 962 # molecular weight
184: ok 963 # molecular exact mass
184: ok 964 # molecular hydrogen-added formula
184: ok 965 # molecule + hydrogens weight
184: ok 966 # molecular exact mass after hydrogen addition
184: ok 967 # molecular formula
184: ok 968 # molecular weight
184: ok 969 # molecular exact mass
184: ok 970 # molecular hydrogen-added formula
184: ok 971 # molecule + hydrogens weight
184: ok 972 # molecular exact mass after hydrogen addition
184: ok 973 # molecular formula
184: ok 974 # molecular weight
184: ok 975 # molecular exact mass
184: ok 976 # molecular hydrogen-added formula
184: ok 977 # molecule + hydrogens weight
184: ok 978 # molecular exact mass after hydrogen addition
184: ok 979 # molecular formula
184: ok 980 # molecular weight
184: ok 981 # molecular exact mass
184: ok 982 # molecular hydrogen-added formula
184: ok 983 # molecule + hydrogens weight
184: ok 984 # molecular exact mass after hydrogen addition
184: ok 985 # molecular formula
184: ok 986 # molecular weight
184: ok 987 # molecular exact mass
184: ok 988 # molecular hydrogen-added formula
184: ok 989 # molecule + hydrogens weight
184: ok 990 # molecular exact mass after hydrogen addition
184: ok 991 # molecular formula
184: ok 992 # molecular weight
184: ok 993 # molecular exact mass
184: ok 994 # molecular hydrogen-added formula
184: ok 995 # molecule + hydrogens weight
184: ok 996 # molecular exact mass after hydrogen addition
184: ok 997 # molecular formula
184: ok 998 # molecular weight
184: ok 999 # molecular exact mass
184: ok 1000 # molecular hydrogen-added formula
184: ok 1001 # molecule + hydrogens weight
184: ok 1002 # molecular exact mass after hydrogen addition
184: ok 1003 # molecular formula
184: ok 1004 # molecular weight
184: ok 1005 # molecular exact mass
184: ok 1006 # molecular hydrogen-added formula
184: ok 1007 # molecule + hydrogens weight
184: ok 1008 # molecular exact mass after hydrogen addition
184: ok 1009 # molecular formula
184: ok 1010 # molecular weight
184: ok 1011 # molecular exact mass
184: ok 1012 # molecular hydrogen-added formula
184: ok 1013 # molecule + hydrogens weight
184: ok 1014 # molecular exact mass after hydrogen addition
184: ok 1015 # molecular formula
184: ok 1016 # molecular weight
184: ok 1017 # molecular exact mass
184: ok 1018 # molecular hydrogen-added formula
184: ok 1019 # molecule + hydrogens weight
184: ok 1020 # molecular exact mass after hydrogen addition
184: ok 1021 # molecular formula
184: ok 1022 # molecular weight
184: ok 1023 # molecular exact mass
184: ok 1024 # molecular hydrogen-added formula
184: ok 1025 # molecule + hydrogens weight
184: ok 1026 # molecular exact mass after hydrogen addition
184: ok 1027 # molecular formula
184: ok 1028 # molecular weight
184: ok 1029 # molecular exact mass
184: ok 1030 # molecular hydrogen-added formula
184: ok 1031 # molecule + hydrogens weight
184: ok 1032 # molecular exact mass after hydrogen addition
184: ok 1033 # molecular formula
184: ok 1034 # molecular weight
184: ok 1035 # molecular exact mass
184: ok 1036 # molecular hydrogen-added formula
184: ok 1037 # molecule + hydrogens weight
184: ok 1038 # molecular exact mass after hydrogen addition
184: ok 1039 # molecular formula
184: ok 1040 # molecular weight
184: ok 1041 # molecular exact mass
184: ok 1042 # molecular hydrogen-added formula
184: ok 1043 # molecule + hydrogens weight
184: ok 1044 # molecular exact mass after hydrogen addition
184: ok 1045 # molecular formula
184: ok 1046 # molecular weight
184: ok 1047 # molecular exact mass
184: ok 1048 # molecular hydrogen-added formula
184: ok 1049 # molecule + hydrogens weight
184: ok 1050 # molecular exact mass after hydrogen addition
184: ok 1051 # molecular formula
184: ok 1052 # molecular weight
184: ok 1053 # molecular exact mass
184: ok 1054 # molecular hydrogen-added formula
184: ok 1055 # molecule + hydrogens weight
184: ok 1056 # molecular exact mass after hydrogen addition
184: ok 1057 # molecular formula
184: ok 1058 # molecular weight
184: ok 1059 # molecular exact mass
184: ok 1060 # molecular hydrogen-added formula
184: ok 1061 # molecule + hydrogens weight
184: ok 1062 # molecular exact mass after hydrogen addition
184: ok 1063 # molecular formula
184: ok 1064 # molecular weight
184: ok 1065 # molecular exact mass
184: ok 1066 # molecular hydrogen-added formula
184: ok 1067 # molecule + hydrogens weight
184: ok 1068 # molecular exact mass after hydrogen addition
184: ok 1069 # molecular formula
184: ok 1070 # molecular weight
184: ok 1071 # molecular exact mass
184: ok 1072 # molecular hydrogen-added formula
184: ok 1073 # molecule + hydrogens weight
184: ok 1074 # molecular exact mass after hydrogen addition
184: ok 1075 # molecular formula
184: ok 1076 # molecular weight
184: ok 1077 # molecular exact mass
184: ok 1078 # molecular hydrogen-added formula
184: ok 1079 # molecule + hydrogens weight
184: ok 1080 # molecular exact mass after hydrogen addition
184: ok 1081 # molecular formula
184: ok 1082 # molecular weight
184: ok 1083 # molecular exact mass
184: ok 1084 # molecular hydrogen-added formula
184: ok 1085 # molecule + hydrogens weight
184: ok 1086 # molecular exact mass after hydrogen addition
184: ok 1087 # molecular formula
184: ok 1088 # molecular weight
184: ok 1089 # molecular exact mass
184: ok 1090 # molecular hydrogen-added formula
184: ok 1091 # molecule + hydrogens weight
184: ok 1092 # molecular exact mass after hydrogen addition
184: ok 1093 # molecular formula
184: ok 1094 # molecular weight
184: ok 1095 # molecular exact mass
184: ok 1096 # molecular hydrogen-added formula
184: ok 1097 # molecule + hydrogens weight
184: ok 1098 # molecular exact mass after hydrogen addition
184: ok 1099 # molecular formula
184: ok 1100 # molecular weight
184: ok 1101 # molecular exact mass
184: ok 1102 # molecular hydrogen-added formula
184: ok 1103 # molecule + hydrogens weight
184: ok 1104 # molecular exact mass after hydrogen addition
184: ok 1105 # molecular formula
184: ok 1106 # molecular weight
184: ok 1107 # molecular exact mass
184: ok 1108 # molecular hydrogen-added formula
184: ok 1109 # molecule + hydrogens weight
184: ok 1110 # molecular exact mass after hydrogen addition
184: ok 1111 # molecular formula
184: ok 1112 # molecular weight
184: ok 1113 # molecular exact mass
184: ok 1114 # molecular hydrogen-added formula
184: ok 1115 # molecule + hydrogens weight
184: ok 1116 # molecular exact mass after hydrogen addition
184: ok 1117 # molecular formula
184: ok 1118 # molecular weight
184: ok 1119 # molecular exact mass
184: ok 1120 # molecular hydrogen-added formula
184: ok 1121 # molecule + hydrogens weight
184: ok 1122 # molecular exact mass after hydrogen addition
184: ok 1123 # molecular formula
184: ok 1124 # molecular weight
184: ok 1125 # molecular exact mass
184: ok 1126 # molecular hydrogen-added formula
184: ok 1127 # molecule + hydrogens weight
184: ok 1128 # molecular exact mass after hydrogen addition
184: ok 1129 # molecular formula
184: ok 1130 # molecular weight
184: ok 1131 # molecular exact mass
184: ok 1132 # molecular hydrogen-added formula
184: ok 1133 # molecule + hydrogens weight
184: ok 1134 # molecular exact mass after hydrogen addition
184: ok 1135 # molecular formula
184: ok 1136 # molecular weight
184: ok 1137 # molecular exact mass
184: ok 1138 # molecular hydrogen-added formula
184: ok 1139 # molecule + hydrogens weight
184: ok 1140 # molecular exact mass after hydrogen addition
184: ok 1141 # molecular formula
184: ok 1142 # molecular weight
184: ok 1143 # molecular exact mass
184: ok 1144 # molecular hydrogen-added formula
184: ok 1145 # molecule + hydrogens weight
184: ok 1146 # molecular exact mass after hydrogen addition
184: ok 1147 # molecular formula
184: ok 1148 # molecular weight
184: ok 1149 # molecular exact mass
184: ok 1150 # molecular hydrogen-added formula
184: ok 1151 # molecule + hydrogens weight
184: ok 1152 # molecular exact mass after hydrogen addition
184: ok 1153 # molecular formula
184: ok 1154 # molecular weight
184: ok 1155 # molecular exact mass
184: ok 1156 # molecular hydrogen-added formula
184: ok 1157 # molecule + hydrogens weight
184: ok 1158 # molecular exact mass after hydrogen addition
184: ok 1159 # molecular formula
184: ok 1160 # molecular weight
184: ok 1161 # molecular exact mass
184: ok 1162 # molecular hydrogen-added formula
184: ok 1163 # molecule + hydrogens weight
184: ok 1164 # molecular exact mass after hydrogen addition
184: ok 1165 # molecular formula
184: ok 1166 # molecular weight
184: ok 1167 # molecular exact mass
184: ok 1168 # molecular hydrogen-added formula
184: ok 1169 # molecule + hydrogens weight
184: ok 1170 # molecular exact mass after hydrogen addition
184: ok 1171 # molecular formula
184: ok 1172 # molecular weight
184: ok 1173 # molecular exact mass
184: ok 1174 # molecular hydrogen-added formula
184: ok 1175 # molecule + hydrogens weight
184: ok 1176 # molecular exact mass after hydrogen addition
184: ok 1177 # molecular formula
184: ok 1178 # molecular weight
184: ok 1179 # molecular exact mass
184: ok 1180 # molecular hydrogen-added formula
184: ok 1181 # molecule + hydrogens weight
184: ok 1182 # molecular exact mass after hydrogen addition
184: ok 1183 # molecular formula
184: ok 1184 # molecular weight
184: ok 1185 # molecular exact mass
184: ok 1186 # molecular hydrogen-added formula
184: ok 1187 # molecule + hydrogens weight
184: ok 1188 # molecular exact mass after hydrogen addition
184: ok 1189 # molecular formula
184: ok 1190 # molecular weight
184: ok 1191 # molecular exact mass
184: ok 1192 # molecular hydrogen-added formula
184: ok 1193 # molecule + hydrogens weight
184: ok 1194 # molecular exact mass after hydrogen addition
184: ok 1195 # molecular formula
184: ok 1196 # molecular weight
184: ok 1197 # molecular exact mass
184: ok 1198 # molecular hydrogen-added formula
184: ok 1199 # molecule + hydrogens weight
184: ok 1200 # molecular exact mass after hydrogen addition
184: ok 1201 # molecular formula
184: ok 1202 # molecular weight
184: ok 1203 # molecular exact mass
184: ok 1204 # molecular hydrogen-added formula
184: ok 1205 # molecule + hydrogens weight
184: ok 1206 # molecular exact mass after hydrogen addition
184: ok 1207 # molecular formula
184: ok 1208 # molecular weight
184: ok 1209 # molecular exact mass
184: ok 1210 # molecular hydrogen-added formula
184: ok 1211 # molecule + hydrogens weight
184: ok 1212 # molecular exact mass after hydrogen addition
184: ok 1213 # molecular formula
184: ok 1214 # molecular weight
184: ok 1215 # molecular exact mass
184: ok 1216 # molecular hydrogen-added formula
184: ok 1217 # molecule + hydrogens weight
184: ok 1218 # molecular exact mass after hydrogen addition
184: ok 1219 # molecular formula
184: ok 1220 # molecular weight
184: ok 1221 # molecular exact mass
184: ok 1222 # molecular hydrogen-added formula
184: ok 1223 # molecule + hydrogens weight
184: ok 1224 # molecular exact mass after hydrogen addition
184: ok 1225 # molecular formula
184: ok 1226 # molecular weight
184: ok 1227 # molecular exact mass
184: ok 1228 # molecular hydrogen-added formula
184: ok 1229 # molecule + hydrogens weight
184: ok 1230 # molecular exact mass after hydrogen addition
184: ok 1231 # molecular formula
184: ok 1232 # molecular weight
184: ok 1233 # molecular exact mass
184: ok 1234 # molecular hydrogen-added formula
184: ok 1235 # molecule + hydrogens weight
184: ok 1236 # molecular exact mass after hydrogen addition
184: ok 1237 # molecular formula
184: ok 1238 # molecular weight
184: ok 1239 # molecular exact mass
184: ok 1240 # molecular hydrogen-added formula
184: ok 1241 # molecule + hydrogens weight
184: ok 1242 # molecular exact mass after hydrogen addition
184: ok 1243 # molecular formula
184: ok 1244 # molecular weight
184: ok 1245 # molecular exact mass
184: ok 1246 # molecular hydrogen-added formula
184: ok 1247 # molecule + hydrogens weight
179:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
179:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
179:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
179:     electro (  0.030,   0.005,   0.311)  (  0.030,   0.005,   0.311)  ( 0.00,  0.00,  0.00)
179: 24       (  0.157,  -0.217,  -0.233)  (  0.172,  -0.201,  -0.226)  ( 0.23,  0.34,  0.16)
179:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
179:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
179:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
179:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
179:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.046,   0.030,  -0.098)  ( -0.046,   0.030,  -0.098)  ( 0.00,  0.00,  0.00)
179: 25       (  0.454,   0.055,   0.715)  (  0.438,   0.032,   0.721)  ( 0.74,  0.13,  0.46)
179:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
179:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
179:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
179:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.098,   0.053,  -0.044)  ( -0.098,   0.053,  -0.044)  ( 0.00,  0.00,  0.00)
179: 26       (  0.502,  -0.688,  -0.363)  (  0.560,  -0.616,  -0.355)  ( 2.88,  4.96,  0.30)
179:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
179:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
179:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
179:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
179:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
179:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.139,   0.290,   0.046)  ( -0.139,   0.290,   0.046)  ( 0.00,  0.00,  0.00)
179: 27       (  1.281,  -0.843,   0.502)  (  1.283,  -0.843,   0.504)  ( 0.11,  0.06,  0.10)
179:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
179:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
179:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.532,   0.139,  -0.121)  ( -0.532,   0.139,  -0.121)  ( 0.00,  0.00,  0.00)
179: 28       (  0.659,   0.029,  -0.865)  (  0.660,   0.029,  -0.863)  ( 0.05,  0.00,  0.16)
179:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
179:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
179:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
186: # Testing invalid SMARTS parsing...
184: ok 1248 # molecular exact mass after hydrogen addition
184: ok 1249 # molecular formula
184: ok 1250 # molecular weight
184: ok 1251 # molecular exact mass
184: ok 1252 # molecular hydrogen-added formula
184: ok 1253 # molecule + hydrogens weight
184: ok 1254 # molecular exact mass after hydrogen addition
184: ok 1255 # molecular formula
184: ok 1256 # molecular weight
184: ok 1257 # molecular exact mass
184: ok 1258 # molecular hydrogen-added formula
184: ok 1259 # molecule + hydrogens weight
184: ok 1260 # molecular exact mass after hydrogen addition
184: ok 1261 # molecular formula
184: ok 1262 # molecular weight
184: ok 1263 # molecular exact mass
184: ok 1264 # molecular hydrogen-added formula
184: ok 1265 # molecule + hydrogens weight
184: ok 1266 # molecular exact mass after hydrogen addition
184: ok 1267 # molecular formula
184: ok 1268 # molecular weight
184: ok 1269 # molecular exact mass
184: ok 1270 # molecular hydrogen-added formula
184: ok 1271 # molecule + hydrogens weight
184: ok 1272 # molecular exact mass after hydrogen addition
184: ok 1273 # molecular formula
184: ok 1274 # molecular weight
184: ok 1275 # molecular exact mass
184: ok 1276 # molecular hydrogen-added formula
184: ok 1277 # molecule + hydrogens weight
184: ok 1278 # molecular exact mass after hydrogen addition
184: ok 1279 # molecular formula
184: ok 1280 # molecular weight
184: ok 1281 # molecular exact mass
184: ok 1282 # molecular hydrogen-added formula
184: ok 1283 # molecule + hydrogens weight
184: ok 1284 # molecular exact mass after hydrogen addition
184: ok 1285 # molecular formula
184: ok 1286 # molecular weight
184: ok 1287 # molecular exact mass
184: ok 1288 # molecular hydrogen-added formula
184: ok 1289 # molecule + hydrogens weight
184: ok 1290 # molecular exact mass after hydrogen addition
184: ok 1291 # molecular formula
184: ok 1292 # molecular weight
184: ok 1293 # molecular exact mass
184: ok 1294 # molecular hydrogen-added formula
184: ok 1295 # molecule + hydrogens weight
184: ok 1296 # molecular exact mass after hydrogen addition
184: ok 1297 # molecular formula
184: ok 1298 # molecular weight
184: ok 1299 # molecular exact mass
184: ok 1300 # molecular hydrogen-added formula
184: ok 1301 # molecule + hydrogens weight
184: ok 1302 # molecular exact mass after hydrogen addition
184: ok 1303 # molecular formula
184: ok 1304 # molecular weight
184: ok 1305 # molecular exact mass
184: ok 1306 # molecular hydrogen-added formula
184: ok 1307 # molecule + hydrogens weight
184: ok 1308 # molecular exact mass after hydrogen addition
184: ok 1309 # molecular formula
184: ok 1310 # molecular weight
184: ok 1311 # molecular exact mass
184: ok 1312 # molecular hydrogen-added formula
184: ok 1313 # molecule + hydrogens weight
184: ok 1314 # molecular exact mass after hydrogen addition
184: ok 1315 # molecular formula
184: ok 1316 # molecular weight
184: ok 1317 # molecular exact mass
184: ok 1318 # molecular hydrogen-added formula
184: ok 1319 # molecule + hydrogens weight
184: ok 1320 # molecular exact mass after hydrogen addition
184: ok 1321 # molecular formula
184: ok 1322 # molecular weight
184: ok 1323 # molecular exact mass
184: ok 1324 # molecular hydrogen-added formula
184: ok 1325 # molecule + hydrogens weight
184: ok 1326 # molecular exact mass after hydrogen addition
184: ok 1327 # molecular formula
184: ok 1328 # molecular weight
184: ok 1329 # molecular exact mass
184: ok 1330 # molecular hydrogen-added formula
184: ok 1331 # molecule + hydrogens weight
184: ok 1332 # molecular exact mass after hydrogen addition
184: ok 1333 # molecular formula
184: ok 1334 # molecular weight
184: ok 1335 # molecular exact mass
184: ok 1336 # molecular hydrogen-added formula
184: ok 1337 # molecule + hydrogens weight
184: ok 1338 # molecular exact mass after hydrogen addition
184: ok 1339 # molecular formula
184: ok 1340 # molecular weight
184: ok 1341 # molecular exact mass
184: ok 1342 # molecular hydrogen-added formula
184: ok 1343 # molecule + hydrogens weight
184: ok 1344 # molecular exact mass after hydrogen addition
184: ok 1345 # molecular formula
184: ok 1346 # molecular weight
184: ok 1347 # molecular exact mass
184: ok 1348 # molecular hydrogen-added formula
184: ok 1349 # molecule + hydrogens weight
184: ok 1350 # molecular exact mass after hydrogen addition
184: ok 1351 # molecular formula
184: ok 1352 # molecular weight
184: ok 1353 # molecular exact mass
184: ok 1354 # molecular hydrogen-added formula
184: ok 1355 # molecule + hydrogens weight
184: ok 1356 # molecular exact mass after hydrogen addition
184: ok 1357 # molecular formula
184: ok 1358 # molecular weight
184: ok 1359 # molecular exact mass
184: ok 1360 # molecular hydrogen-added formula
184: ok 1361 # molecule + hydrogens weight
184: ok 1362 # molecular exact mass after hydrogen addition
184: ok 1363 # molecular formula
184: ok 1364 # molecular weight
184: ok 1365 # molecular exact mass
184: ok 1366 # molecular hydrogen-added formula
184: ok 1367 # molecule + hydrogens weight
184: ok 1368 # molecular exact mass after hydrogen addition
184: ok 1369 # molecular formula
184: ok 1370 # molecular weight
184: ok 1371 # molecular exact mass
184: ok 1372 # molecular hydrogen-added formula
184: ok 1373 # molecule + hydrogens weight
184: ok 1374 # molecular exact mass after hydrogen addition
184: ok 1375 # molecular formula
184: ok 1376 # molecular weight
184: ok 1377 # molecular exact mass
184: ok 1378 # molecular hydrogen-added formula
184: ok 1379 # molecule + hydrogens weight
184: ok 1380 # molecular exact mass after hydrogen addition
184: ok 1381 # molecular formula
184: ok 1382 # molecular weight
184: ok 1383 # molecular exact mass
184: ok 1384 # molecular hydrogen-added formula
184: ok 1385 # molecule + hydrogens weight
184: ok 1386 # molecular exact mass after hydrogen addition
184: ok 1387 # molecular formula
184: ok 1388 # molecular weight
184: ok 1389 # molecular exact mass
184: ok 1390 # molecular hydrogen-added formula
184: ok 1391 # molecule + hydrogens weight
184: ok 1392 # molecular exact mass after hydrogen addition
184: ok 1393 # molecular formula
184: ok 1394 # molecular weight
184: ok 1395 # molecular exact mass
184: ok 1396 # molecular hydrogen-added formula
184: ok 1397 # molecule + hydrogens weight
184: ok 1398 # molecular exact mass after hydrogen addition
184: ok 1399 # molecular formula
184: ok 1400 # molecular weight
184: ok 1401 # molecular exact mass
184: ok 1402 # molecular hydrogen-added formula
184: ok 1403 # molecule + hydrogens weight
184: ok 1404 # molecular exact mass after hydrogen addition
184: ok 1405 # molecular formula
184: ok 1406 # molecular weight
184: ok 1407 # molecular exact mass
184: ok 1408 # molecular hydrogen-added formula
184: ok 1409 # molecule + hydrogens weight
184: ok 1410 # molecular exact mass after hydrogen addition
184: ok 1411 # molecular formula
184: ok 1412 # molecular weight
184: ok 1413 # molecular exact mass
184: ok 1414 # molecular hydrogen-added formula
184: ok 1415 # molecule + hydrogens weight
184: ok 1416 # molecular exact mass after hydrogen addition
184: ok 1417 # molecular formula
184: ok 1418 # molecular weight
184: ok 1419 # molecular exact mass
184: ok 1420 # molecular hydrogen-added formula
184: ok 1421 # molecule + hydrogens weight
184: ok 1422 # molecular exact mass after hydrogen addition
184: ok 1423 # molecular formula
184: ok 1424 # molecular weight
184: ok 1425 # molecular exact mass
184: ok 1426 # molecular hydrogen-added formula
184: ok 1427 # molecule + hydrogens weight
184: ok 1428 # molecular exact mass after hydrogen addition
184: ok 1429 # molecular formula
184: ok 1430 # molecular weight
184: ok 1431 # molecular exact mass
184: ok 1432 # molecular hydrogen-added formula
184: ok 1433 # molecule + hydrogens weight
184: ok 1434 # molecular exact mass after hydrogen addition
184: ok 1435 # molecular formula
184: ok 1436 # molecular weight
184: ok 1437 # molecular exact mass
184: ok 1438 # molecular hydrogen-added formula
184: ok 1439 # molecule + hydrogens weight
184: ok 1440 # molecular exact mass after hydrogen addition
184: ok 1441 # molecular formula
184: ok 1442 # molecular weight
184: ok 1443 # molecular exact mass
184: ok 1444 # molecular hydrogen-added formula
184: ok 1445 # molecule + hydrogens weight
184: ok 1446 # molecular exact mass after hydrogen addition
184: ok 1447 # molecular formula
184: ok 1448 # molecular weight
184: ok 1449 # molecular exact mass
184: ok 1450 # molecular hydrogen-added formula
184: ok 1451 # molecule + hydrogens weight
184: ok 1452 # molecular exact mass after hydrogen addition
184: ok 1453 # molecular formula
184: ok 1454 # molecular weight
184: ok 1455 # molecular exact mass
184: ok 1456 # molecular hydrogen-added formula
184: ok 1457 # molecule + hydrogens weight
184: ok 1458 # molecular exact mass after hydrogen addition
184: ok 1459 # molecular formula
184: ok 1460 # molecular weight
184: ok 1461 # molecular exact mass
184: ok 1462 # molecular hydrogen-added formula
184: ok 1463 # molecule + hydrogens weight
184: ok 1464 # molecular exact mass after hydrogen addition
184: ok 1465 # molecular formula
184: ok 1466 # molecular weight
184: ok 1467 # molecular exact mass
184: ok 1468 # molecular hydrogen-added formula
184: ok 1469 # molecule + hydrogens weight
179:     electro ( -0.166,   0.148,   0.264)  ( -0.166,   0.148,   0.264)  ( 0.00,  0.00,  0.00)
179: 29       (  0.611,   0.630,   0.735)  (  0.594,   0.607,   0.737)  ( 1.08,  1.46,  0.11)
179:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
179:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
179:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.075,  -0.024,  -0.223)  ( -0.075,  -0.024,  -0.223)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.397,  -0.419,   0.691)  ( -0.398,  -0.421,   0.695)  ( 0.06,  0.10,  0.25)
179:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
179:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
179:     electro (  0.003,  -0.015,  -0.276)  (  0.003,  -0.015,  -0.276)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.704,   0.375,   0.383)  ( -0.707,   0.370,   0.384)  ( 0.17,  0.17,  0.04)
179:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
179:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
179:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
179:     electro (  0.170,  -0.118,  -0.094)  (  0.170,  -0.118,  -0.094)  ( 0.00,  0.00,  0.00)
179: 32       (  1.630,  -4.947,   2.895)  (  1.690,  -4.961,   2.864)  ( 3.68,  0.29,  1.07)
179:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
179:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
179:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
179:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
179:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.685,   1.480,  -0.981)  ( -0.685,   1.480,  -0.981)  ( 0.00,  0.00,  0.00)
179: 33       (  0.265,  -3.628,   2.174)  (  0.299,  -3.635,   2.159)  ( 0.90,  0.18,  0.67)
179:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
179:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
179:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
179:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.069,   1.237,  -0.752)  ( -0.069,   1.237,  -0.752)  ( 0.00,  0.00,  0.00)
179: 34       ( -1.330,   1.205,  -3.164)  ( -1.324,   1.210,  -3.159)  ( 0.46,  0.42,  0.18)
179:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
179:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
179:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
184: ok 1470 # molecular exact mass after hydrogen addition
184: ok 1471 # molecular formula
184: ok 1472 # molecular weight
184: ok 1473 # molecular exact mass
184: ok 1474 # molecular hydrogen-added formula
184: ok 1475 # molecule + hydrogens weight
184: ok 1476 # molecular exact mass after hydrogen addition
184: ok 1477 # molecular formula
184: ok 1478 # molecular weight
184: ok 1479 # molecular exact mass
184: ok 1480 # molecular hydrogen-added formula
184: ok 1481 # molecule + hydrogens weight
184: ok 1482 # molecular exact mass after hydrogen addition
184: ok 1483 # molecular formula
184: ok 1484 # molecular weight
184: ok 1485 # molecular exact mass
184: ok 1486 # molecular hydrogen-added formula
184: ok 1487 # molecule + hydrogens weight
184: ok 1488 # molecular exact mass after hydrogen addition
184: ok 1489 # molecular formula
184: ok 1490 # molecular weight
184: ok 1491 # molecular exact mass
184: ok 1492 # molecular hydrogen-added formula
184: ok 1493 # molecule + hydrogens weight
184: ok 1494 # molecular exact mass after hydrogen addition
184: ok 1495 # molecular formula
184: ok 1496 # molecular weight
184: ok 1497 # molecular exact mass
184: ok 1498 # molecular hydrogen-added formula
184: ok 1499 # molecule + hydrogens weight
184: ok 1500 # molecular exact mass after hydrogen addition
184: ok 1501 # molecular formula
184: ok 1502 # molecular weight
184: ok 1503 # molecular exact mass
184: ok 1504 # molecular hydrogen-added formula
184: ok 1505 # molecule + hydrogens weight
184: ok 1506 # molecular exact mass after hydrogen addition
184: ok 1507 # molecular formula
184: ok 1508 # molecular weight
184: ok 1509 # molecular exact mass
184: ok 1510 # molecular hydrogen-added formula
184: ok 1511 # molecule + hydrogens weight
184: ok 1512 # molecular exact mass after hydrogen addition
184: ok 1513 # molecular formula
184: ok 1514 # molecular weight
184: ok 1515 # molecular exact mass
184: ok 1516 # molecular hydrogen-added formula
184: ok 1517 # molecule + hydrogens weight
184: ok 1518 # molecular exact mass after hydrogen addition
184: ok 1519 # molecular formula
184: ok 1520 # molecular weight
184: ok 1521 # molecular exact mass
184: ok 1522 # molecular hydrogen-added formula
184: ok 1523 # molecule + hydrogens weight
184: ok 1524 # molecular exact mass after hydrogen addition
184: ok 1525 # molecular formula
184: ok 1526 # molecular weight
184: ok 1527 # molecular exact mass
184: ok 1528 # molecular hydrogen-added formula
184: ok 1529 # molecule + hydrogens weight
184: ok 1530 # molecular exact mass after hydrogen addition
184: ok 1531 # molecular formula
184: ok 1532 # molecular weight
184: ok 1533 # molecular exact mass
184: ok 1534 # molecular hydrogen-added formula
184: ok 1535 # molecule + hydrogens weight
184: ok 1536 # molecular exact mass after hydrogen addition
184: ok 1537 # molecular formula
184: ok 1538 # molecular weight
184: ok 1539 # molecular exact mass
184: ok 1540 # molecular hydrogen-added formula
184: ok 1541 # molecule + hydrogens weight
184: ok 1542 # molecular exact mass after hydrogen addition
184: ok 1543 # molecular formula
184: ok 1544 # molecular weight
184: ok 1545 # molecular exact mass
184: ok 1546 # molecular hydrogen-added formula
184: ok 1547 # molecule + hydrogens weight
184: ok 1548 # molecular exact mass after hydrogen addition
184: ok 1549 # molecular formula
184: ok 1550 # molecular weight
184: ok 1551 # molecular exact mass
184: ok 1552 # molecular hydrogen-added formula
184: ok 1553 # molecule + hydrogens weight
184: ok 1554 # molecular exact mass after hydrogen addition
184: ok 1555 # molecular formula
184: ok 1556 # molecular weight
184: ok 1557 # molecular exact mass
184: ok 1558 # molecular hydrogen-added formula
184: ok 1559 # molecule + hydrogens weight
184: ok 1560 # molecular exact mass after hydrogen addition
184: ok 1561 # molecular formula
184: ok 1562 # molecular weight
184: ok 1563 # molecular exact mass
184: ok 1564 # molecular hydrogen-added formula
184: ok 1565 # molecule + hydrogens weight
184: ok 1566 # molecular exact mass after hydrogen addition
184: ok 1567 # molecular formula
184: ok 1568 # molecular weight
184: ok 1569 # molecular exact mass
184: ok 1570 # molecular hydrogen-added formula
184: ok 1571 # molecule + hydrogens weight
184: ok 1572 # molecular exact mass after hydrogen addition
184: ok 1573 # molecular formula
184: ok 1574 # molecular weight
184: ok 1575 # molecular exact mass
184: ok 1576 # molecular hydrogen-added formula
184: ok 1577 # molecule + hydrogens weight
184: ok 1578 # molecular exact mass after hydrogen addition
184: ok 1579 # molecular formula
184: ok 1580 # molecular weight
184: ok 1581 # molecular exact mass
184: ok 1582 # molecular hydrogen-added formula
184: ok 1583 # molecule + hydrogens weight
184: ok 1584 # molecular exact mass after hydrogen addition
184: ok 1585 # molecular formula
184: ok 1586 # molecular weight
184: ok 1587 # molecular exact mass
184: ok 1588 # molecular hydrogen-added formula
184: ok 1589 # molecule + hydrogens weight
184: ok 1590 # molecular exact mass after hydrogen addition
184: ok 1591 # molecular formula
184: ok 1592 # molecular weight
184: ok 1593 # molecular exact mass
184: ok 1594 # molecular hydrogen-added formula
184: ok 1595 # molecule + hydrogens weight
184: ok 1596 # molecular exact mass after hydrogen addition
184: ok 1597 # molecular formula
184: ok 1598 # molecular weight
184: ok 1599 # molecular exact mass
184: ok 1600 # molecular hydrogen-added formula
184: ok 1601 # molecule + hydrogens weight
184: ok 1602 # molecular exact mass after hydrogen addition
184: ok 1603 # molecular formula
184: ok 1604 # molecular weight
184: ok 1605 # molecular exact mass
184: ok 1606 # molecular hydrogen-added formula
184: ok 1607 # molecule + hydrogens weight
184: ok 1608 # molecular exact mass after hydrogen addition
184: ok 1609 # molecular formula
184: ok 1610 # molecular weight
184: ok 1611 # molecular exact mass
184: ok 1612 # molecular hydrogen-added formula
184: ok 1613 # molecule + hydrogens weight
184: ok 1614 # molecular exact mass after hydrogen addition
184: ok 1615 # molecular formula
184: ok 1616 # molecular weight
184: ok 1617 # molecular exact mass
184: ok 1618 # molecular hydrogen-added formula
184: ok 1619 # molecule + hydrogens weight
184: ok 1620 # molecular exact mass after hydrogen addition
184: ok 1621 # molecular formula
184: ok 1622 # molecular weight
184: ok 1623 # molecular exact mass
184: ok 1624 # molecular hydrogen-added formula
184: ok 1625 # molecule + hydrogens weight
184: ok 1626 # molecular exact mass after hydrogen addition
184: ok 1627 # molecular formula
184: ok 1628 # molecular weight
184: ok 1629 # molecular exact mass
184: ok 1630 # molecular hydrogen-added formula
184: ok 1631 # molecule + hydrogens weight
184: ok 1632 # molecular exact mass after hydrogen addition
184: 1..1632
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hu1_v13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4huo_rs8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hup_19m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hur_aco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hus_vir.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hv3_19l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hv7_19j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hva_4hv.sdf
179:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
179:     electro (  0.573,  -0.371,   1.082)  (  0.573,  -0.371,   1.082)  ( 0.00,  0.00,  0.00)
179: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
179:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
179:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
179:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
179:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
179:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
179:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
179:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 26 # gradients 
179: ok 27 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
179:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
179:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
179:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
179:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
179:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
179:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
179:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
179:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
179:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
179:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
179:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
179:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
179:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
179:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
179:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
179:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
179:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
179:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
179:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
179:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
179:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
179:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
179:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
179:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
179:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
179:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
179:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
179:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
179:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
179:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
179:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
179:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
179:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
179:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
179:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
179:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
179:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
179:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
179:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
179:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
179:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
179:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
179:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
179:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
179: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
179:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
179:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
179:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
179:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
179:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
179:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
179:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
179:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
179:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
179: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
179:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
179:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
179:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
179:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
179:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
179:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
179: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
179:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
179:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
179:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
179:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
179:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
179:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
179:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
179: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
179:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
179:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
179:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
179:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
179:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
179:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
179: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
179:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
179:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
179:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
179: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
179:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
179:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
179:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
179:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
179: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
179:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
179:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
179:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
179: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
179:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
179:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
179:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
179:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
179: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
179:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
179:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
179:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
179:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
179:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
179: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
179:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
179:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
179:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
179: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
179:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
179:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
179:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
179: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
179:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
179:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
179:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
179:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
179:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
179:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
179:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
179:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
179:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
179:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
179:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
179:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
179:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
179:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
179:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
179:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
179:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
179:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
179:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
179:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
179:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
179:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
179:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
179: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
179:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
179:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
179:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
179:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
179:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
179: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
179:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
179:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
179: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
179:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
179:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
179:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
179: ok 28 # gradients 
179: ok 29 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
179:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
179:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
179:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
179:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
179:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
179:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
179:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -1.269,  40.025, -47.383)  ( -1.404,  39.151, -47.725)  (10.68,  2.19,  0.72)
179:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
179:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
179:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
179:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.106,   0.085,  -0.093)  ( -0.106,   0.085,  -0.093)  ( 0.00,  0.00,  0.00)
179:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
179:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
179:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
179:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-38.552, -131.229, -55.358)  (-37.756, -128.992, -53.392)  ( 2.07,  1.70,  3.55)
179:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
179:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
179:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
179:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
179:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
179:     electro (  0.094,  -0.124,   0.056)  (  0.094,  -0.124,   0.056)  ( 0.00,  0.00,  0.00)
179:  6       ( 59.731,  60.969,  24.972)  ( 58.945,  59.687,  24.144)  ( 1.32,  2.10,  3.32)
179:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
179:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
186: ok 1
186: ok 2
186: ok 3
186: ok 4
186: ok 5
186: ok 6
186: ok 7
186: ok 8
186: ok 9
186: ok 10
186: ok 11
186: ok 12
186: ok 13
186: ok 14
186: ok 15
186: ok 16
186: ok 17
186: ok 18
186: ok 19
186: ok 20 # random data #1 
186: # read 104188
186: ok 21 # random data #2 
186: # read 77768
186: ok 22 # random data #3 
186: # read 100058
186: 1..22
183/223 Test #184: test_formula_1 ...................   Passed    0.14 sec
184/223 Test #186: test_invalidsmarts_1 .............   Passed    0.07 sec
test 187
        Start 187: test_invalidsmiles_1
187: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "invalidsmiles" "1"
187: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
187: Environment variables: 
187:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
187:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
187: Test timeout computed to be: 1500
test 188
        Start 188: test_iterators_1
188: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "iterators" "1"
188: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
188: Environment variables: 
188:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
188:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
188: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvb_19p.sdf
179:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
179:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
179:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.073,  -0.171,   0.058)  ( -0.073,  -0.171,   0.058)  ( 0.00,  0.00,  0.00)
179:  7       (-98.469, -30.215,   3.140)  (-97.137, -30.467,   3.742)  ( 1.35,  0.83, 19.15)
179:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
179:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
179:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
179:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
179:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.162,   0.025,  -0.053)  ( -0.162,   0.025,  -0.053)  ( 0.00,  0.00,  0.00)
179:  8       ( 43.352, -30.505,  99.229)  ( 42.057, -30.082,  96.879)  ( 2.99,  1.39,  2.37)
179:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
179:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
179:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
179:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
179:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.389,   0.454,  -0.382)  ( -0.389,   0.454,  -0.382)  ( 0.00,  0.00,  0.00)
179:  9       ( 32.784,  53.653, -118.720)  ( 32.158,  52.563, -117.998)  ( 1.91,  2.03,  0.61)
179:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
179:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
179:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
179:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
179:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.068,   0.155,  -0.235)  ( -0.068,   0.155,  -0.235)  ( 0.00,  0.00,  0.00)
179: 10       ( -2.856, -19.715, 132.354)  ( -2.826, -20.000, 130.748)  ( 1.05,  1.45,  1.21)
179:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
179:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
179:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
179:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
179:     electro (  0.145,  -0.076,  -0.098)  (  0.145,  -0.076,  -0.098)  ( 0.00,  0.00,  0.00)
179: 11       ( 47.621, -23.666, -61.746)  ( 37.332, -24.369, -53.148)  (21.61,  2.97, 13.92)
179:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
179:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
179:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
179:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
179:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
179:     electro (  0.012,   0.244,  -0.569)  (  0.012,   0.244,  -0.569)  ( 0.00,  0.00,  0.00)
179: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
187: Usage: invalid-smiles
187:    Tests Open Babel SMILES parsing - rejecting invalid patterns.
179:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
179:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
179:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-44.134, -77.724, 137.267)  (-23.402, -75.683, 122.411)  (46.97,  2.63, 10.82)
179:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
179:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
179:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
179:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
179:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.142,  -0.047,  -0.416)  ( -0.142,  -0.047,  -0.416)  ( 0.00,  0.00,  0.00)
179: 14       (-74.159,  -4.011, -45.310)  (-74.368,  -3.653, -44.962)  ( 0.28,  8.92,  0.77)
179:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
179:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
179:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
179:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
179:     electro (  0.122,  -0.447,   0.515)  (  0.122,  -0.447,   0.515)  ( 0.00,  0.00,  0.00)
179: 15       ( 72.737, 109.579, -59.037)  ( 62.796, 108.005, -52.228)  (13.67,  1.44, 11.53)
179:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
179:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
179:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
179:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
179:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.174,  -2.174,   0.579)  ( -1.174,  -2.174,   0.579)  ( 0.00,  0.00,  0.00)
179: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
179:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
179:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
179:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185/223 Test #187: test_invalidsmiles_1 .............   Passed    0.01 sec
test 189
        Start 189: test_logp_psa_1
189: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "logp_psa" "1"
189: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
189: Environment variables: 
189:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
189:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
189: Test timeout computed to be: 1500
188: 
179:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
179:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
179:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
179:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
179:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
179:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
179:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
179:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
179:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
179:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
179:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
179:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvc_hfg.sdf
179:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
179:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
179:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -2.164,  11.131,  -4.375)  ( -2.098,  11.194,  -4.198)  ( 3.06,  0.57,  4.03)
179:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
179:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
179:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
179:     electro (  0.006,   0.097,  -0.061)  (  0.006,   0.097,  -0.061)  ( 0.00,  0.00,  0.00)
179: 26       (  7.727,  -9.491, -15.626)  (  7.376,  -9.247, -15.019)  ( 4.55,  2.57,  3.89)
179:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
179:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
179:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
179:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
179:     electro (  0.179,   0.059,   0.214)  (  0.179,   0.059,   0.214)  ( 0.00,  0.00,  0.00)
179: 27       (-10.244,  -1.168,  -0.252)  ( -9.709,  -0.459,  -0.350)  ( 5.21, 60.69,  2.46)
179:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
179:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
179:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
179:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
179:     electro (  0.238,   0.061,   0.396)  (  0.238,   0.061,   0.396)  ( 0.00,  0.00,  0.00)
179: 28       (-35.334,  35.042, -12.778)  (-35.136,  35.088, -12.476)  ( 0.56,  0.13,  2.36)
179:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
179:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
179:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvd_933.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvg_19q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvh_19r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvi_19s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvs_647.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hvx_qei.sdf
179:     electro ( -0.118,   0.025,   0.007)  ( -0.118,   0.025,   0.007)  ( 0.00,  0.00,  0.00)
179: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
179:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
179:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
179:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
179:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
179:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
179:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
179:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
179:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( 15.026, -20.398, -24.613)  ( 15.025, -20.394, -24.614)  ( 0.01,  0.02,  0.00)
179:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
179:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
179:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
179:     electro (  1.436,   1.834,   0.082)  (  1.436,   1.834,   0.082)  ( 0.00,  0.00,  0.00)
179: ok 30 # gradients 
179: ok 31 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.503,   0.593,   0.614)  (  0.557,   0.679,   0.432)  ( 2.71,  5.12, 11.17)
179:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
179:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
179:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
179:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
179:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.186,  -0.215,  -0.118)  ( -0.186,  -0.215,  -0.118)  ( 0.00,  0.00,  0.00)
179:  2       (  0.433,   1.527,  -2.187)  (  0.299,   1.272,  -1.566)  ( 5.83, 16.72, 28.38)
179:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
179:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
179:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
179:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
179:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.140,  -0.389,   0.474)  ( -0.140,  -0.389,   0.474)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
179:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
179:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
179:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
179:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( -1.261, -10.162,  -2.054)  ( -1.171, -10.002,  -2.417)  ( 7.10,  1.58, 17.66)
179:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
179:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
179:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
179:     electro (  0.405,   3.280,   0.859)  (  0.405,   3.280,   0.859)  ( 0.00,  0.00,  0.00)
179:  7       (  8.086,  -2.297,   5.227)  (  8.018,  -2.411,   5.470)  ( 0.83,  4.98,  4.67)
179:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
179:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
179:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
179:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
179:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.641,   0.850,  -1.845)  ( -2.641,   0.850,  -1.845)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.549,   2.804,   0.093)  ( -1.512,   2.887,  -0.063)  ( 2.38,  2.95,  1.44)
179:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
179:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
179:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
179:     electro (  0.492,  -0.990,   0.070)  (  0.492,  -0.990,   0.070)  ( 0.00,  0.00,  0.00)
179:  9       (  2.604,   1.389,   2.014)  (  3.702,   2.430,   2.209)  (42.15, 74.99,  9.68)
179:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
179:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
179:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
179:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
179:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
179:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.103,  -0.686,  -0.690)  ( -1.103,  -0.686,  -0.690)  ( 0.00,  0.00,  0.00)
179: 10       ( -1.066,   5.610,  -2.893)  ( -0.982,   5.420,  -3.059)  ( 7.81,  3.39,  5.71)
179:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
179:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
179:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
179:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
179:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
179:     electro (  0.307,  -1.802,   1.015)  (  0.307,  -1.802,   1.015)  ( 0.00,  0.00,  0.00)
179: 11       (  1.808,  -9.619,  -1.369)  (  2.211,  -7.418,  -0.964)  (22.27, 22.88, 29.59)
179:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
179:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
179:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
179:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
179:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
179:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.667,   2.408,   0.327)  ( -0.667,   2.408,   0.327)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
179:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (  0.174,  -1.208,  -0.013)  (  0.176,  -1.206,  -0.012)  ( 0.04,  0.16,  0.00)
179:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
179:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
179:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.055,   0.391,  -0.007)  ( -0.055,   0.391,  -0.007)  ( 0.00,  0.00,  0.00)
179: 14       ( -1.151,   8.695,   3.501)  ( -5.409,   3.347,   2.087)  (369.90, 61.50, 40.40)
179:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
179:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
179:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
179:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
179:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
179:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
179:     electro (  1.689,  -1.100,  -0.697)  (  1.689,  -1.100,  -0.697)  ( 0.00,  0.00,  0.00)
179: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
179:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
179:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -7.534,  -3.810,   1.039)  ( -4.877,  -0.640,   2.015)  (35.26, 83.21, 93.87)
179:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
179:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
179:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
179:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
179:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
179:     electro (  1.594,   0.150,  -0.714)  (  1.594,   0.150,  -0.714)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.036,   2.770,  -1.504)  ( -0.031,   2.774,  -1.500)  ( 0.02,  0.15,  0.30)
179:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
179:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
179:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
179:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
179:     electro (  0.019,  -0.933,   0.477)  (  0.019,  -0.933,   0.477)  ( 0.00,  0.00,  0.00)
179: 18       (  4.892,  -0.985,   0.285)  (  5.287,  -1.716,  -0.060)  ( 8.09, 71.97,  9.84)
179:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
179:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
179:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
179:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
179:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.806,   0.567,  -0.013)  ( -1.806,   0.567,  -0.013)  ( 0.00,  0.00,  0.00)
179: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
179:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
179:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
179:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
179:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
179:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
179:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
179:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
179:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  0.488,   0.737,  -2.713)  ( -0.474,   0.559,  -1.918)  (46.96, 13.13, 29.31)
179:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
179:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
179:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
179:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
179:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
179:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
179:     electro (  0.195,  -0.222,   0.617)  (  0.195,  -0.222,   0.617)  ( 0.00,  0.00,  0.00)
179: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
179:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -3.234,   0.160,   0.213)  ( -3.041,   0.205,   0.050)  ( 5.98,  0.73,  3.48)
179:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
179:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
179:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
179:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
179:     electro (  1.014,  -0.057,  -0.008)  (  1.014,  -0.057,  -0.008)  ( 0.00,  0.00,  0.00)
179: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
179:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
179:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
179:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
179:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
179:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
179:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
179:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
179:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
179:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
179:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
179:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
179:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
179:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
179:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  7.205,   2.240,   7.247)  (  7.205,   2.245,   7.247)  ( 0.01,  0.22,  0.01)
179:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
179:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.405,  -0.728,  -2.400)  ( -2.405,  -0.728,  -2.400)  ( 0.00,  0.00,  0.00)
179: 31       (-10.418,   1.586,  -7.406)  ( -9.943,   1.689,  -7.787)  ( 4.56,  6.45,  5.14)
179:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
179:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
179:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
179:     electro (  3.286,  -0.524,   2.653)  (  3.286,  -0.524,   2.653)  ( 0.00,  0.00,  0.00)
179: ok 32 # gradients 
179: ok 33 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.511,  -0.096,  -0.005)  (  0.520,  -0.092,   0.001)  ( 0.45,  0.03,  0.00)
179:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
179:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
179:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.173,   0.032,   0.000)  ( -0.173,   0.032,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.075,   0.318,   0.474)  ( -0.066,   0.334,   0.472)  ( 0.07,  0.52,  0.08)
179:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
179:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
179:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
179:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.006,  -0.130,  -0.194)  ( -0.006,  -0.130,  -0.194)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.080,   0.261,   0.300)  ( -0.079,   0.234,   0.325)  ( 0.01,  0.70,  0.76)
179:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
179:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
179:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
179:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
179:     electro (  0.088,  -0.091,  -0.119)  (  0.088,  -0.091,  -0.119)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
179:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
179:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
179:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.246,  -0.217,  -0.384)  ( -0.235,  -0.186,  -0.397)  ( 0.29,  0.67,  0.50)
179:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
179:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
179:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
179:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
179:     electro (  0.115,   0.053,   0.119)  (  0.115,   0.053,   0.119)  ( 0.00,  0.00,  0.00)
179:  6       ( -0.141,  -0.330,  -0.527)  ( -0.136,  -0.337,  -0.513)  ( 0.08,  0.25,  0.74)
179:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
179:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
179:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
179:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
179:     electro (  0.041,   0.123,   0.194)  (  0.041,   0.123,   0.194)  ( 0.00,  0.00,  0.00)
179:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
179:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
179:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
179:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.108,   1.157,  -0.705)  ( -0.101,   1.163,  -0.702)  ( 0.08,  0.53,  0.24)
179:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
179:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
179:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
179:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
179:     electro (  0.004,  -0.378,   0.228)  (  0.004,  -0.378,   0.228)  ( 0.00,  0.00,  0.00)
179:  9       (  0.009,  -0.348,   0.187)  (  0.016,  -0.342,   0.191)  ( 0.01,  0.21,  0.07)
179:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
179:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
179:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.006,   0.087,  -0.052)  ( -0.006,   0.087,  -0.052)  ( 0.00,  0.00,  0.00)
179: 10       (  2.631,  -0.498,   0.003)  (  2.635,  -0.493,   0.006)  ( 0.16,  0.24,  0.00)
179:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
179:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.883,   0.165,   0.001)  ( -0.883,   0.165,   0.001)  ( 0.00,  0.00,  0.00)
179: 11       (  0.028,   0.306,  -0.205)  (  0.035,   0.312,  -0.201)  ( 0.02,  0.19,  0.08)
179:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
179:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
179:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.037,  -0.079,   0.052)  ( -0.037,  -0.079,   0.052)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.373,  -1.134,   0.744)  ( -0.366,  -1.129,   0.747)  ( 0.27,  0.47,  0.19)
179:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
179:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
179:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
179:     electro (  0.140,   0.351,  -0.228)  (  0.140,   0.351,  -0.228)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.263,  -0.228,   0.157)  ( -0.261,  -0.226,   0.159)  ( 0.05,  0.05,  0.02)
179:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
179:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
179:     electro (  0.092,   0.086,  -0.056)  (  0.092,   0.086,  -0.056)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.602,   0.636,  -0.300)  ( -0.601,   0.639,  -0.299)  ( 0.08,  0.16,  0.03)
179:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
179:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
179:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
179:     electro (  0.205,  -0.220,   0.109)  (  0.205,  -0.220,   0.109)  ( 0.00,  0.00,  0.00)
179: 15       (  0.332,  -0.118,  -0.060)  (  0.339,  -0.102,  -0.061)  ( 0.25,  0.18,  0.01)
179:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
179:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
179:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
179:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
179:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.126,   0.033,   0.024)  ( -0.126,   0.033,   0.024)  ( 0.00,  0.00,  0.00)
179: 16       (  1.094,  -0.202,   0.008)  (  1.098,  -0.201,   0.009)  ( 0.42,  0.01,  0.00)
179:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
179:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.353,   0.066,   0.000)  ( -0.353,   0.066,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( -1.177,  -0.211,  -0.630)  ( -1.176,  -0.211,  -0.627)  ( 0.12,  0.01,  0.21)
179:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
179:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
179:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
179:     electro (  0.380,   0.086,   0.234)  (  0.380,   0.086,   0.234)  ( 0.00,  0.00,  0.00)
179: 18       (  0.347,  -0.021,   0.119)  (  0.351,  -0.024,   0.130)  ( 0.15,  0.01,  0.13)
179:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
179:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
179:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
179:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
179:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.129,   0.014,  -0.024)  ( -0.129,   0.014,  -0.024)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.995,   0.639,   0.659)  ( -0.993,   0.641,   0.661)  ( 0.24,  0.13,  0.13)
179:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
179:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
179:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
179:     electro (  0.323,  -0.218,  -0.234)  (  0.323,  -0.218,  -0.234)  ( 0.00,  0.00,  0.00)
179: 20       ( -0.147,   0.296,  -0.160)  ( -0.146,   0.299,  -0.159)  ( 0.02,  0.08,  0.01)
179:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
179:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
179:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
179:     electro (  0.055,  -0.113,   0.056)  (  0.055,  -0.113,   0.056)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.773,  -0.355,   0.288)  ( -0.771,  -0.353,   0.289)  ( 0.16,  0.06,  0.02)
179:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
179:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
179:     electro (  0.271,   0.131,  -0.109)  (  0.271,   0.131,  -0.109)  ( 0.00,  0.00,  0.00)
179: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
179:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
179:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
179:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
179:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
179:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
179:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
179:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
179:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
179:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
179:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 34 # gradients 
179: ok 35 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 31.424,  -0.200,  18.228)  ( 31.429,  -0.198,  18.233)  ( 0.02,  0.05,  0.03)
179:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
179:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
179:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
179:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
179:     electro (  2.864,  -0.239,   3.155)  (  2.864,  -0.239,   3.155)  ( 0.00,  0.00,  0.00)
179:  2       (-36.010,   4.515,  17.051)  (-36.005,   4.520,  17.057)  ( 0.01,  0.12,  0.03)
179:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
179:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
179:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
179:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
179:     electro (  1.650,   1.429,   2.533)  (  1.650,   1.429,   2.533)  ( 0.00,  0.00,  0.00)
179:  3       (-11.045, -13.207,  11.272)  (-11.039, -13.201,  11.277)  ( 0.05,  0.04,  0.05)
179:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
179:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
179:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
179:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.907,  -0.238,   0.176)  ( -0.907,  -0.238,   0.176)  ( 0.00,  0.00,  0.00)
179:  4       ( -4.273,   7.522,  -3.211)  ( -4.268,   7.525,  -3.205)  ( 0.13,  0.04,  0.18)
179:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
179:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
179:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
179:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.941,  -0.746,  -2.788)  ( -1.941,  -0.746,  -2.788)  ( 0.00,  0.00,  0.00)
179:  5       ( 15.539,  -6.936, -11.710)  ( 15.544,  -6.931, -11.704)  ( 0.03,  0.08,  0.05)
179:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
179:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
179:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
179:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
179:     electro (  0.082,   0.038,  -0.901)  (  0.082,   0.038,  -0.901)  ( 0.00,  0.00,  0.00)
179:  6       ( 19.460,  15.761, -31.866)  ( 19.465,  15.766, -31.861)  ( 0.03,  0.03,  0.02)
179:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
179:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
179:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hw2_19h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hw3_19g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hw7_64m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hwk_sfy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hwo_409.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hwp_x16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hws_1b3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hwt_1b2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hww_x7a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hx2_1ax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hx5_19v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hxl_1a9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hxm_1a8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hxs_1a3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hxw_1a0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hxx_1ay.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hxz_19y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hy0_1aq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hy1_19x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hy4_1bg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hyf_1ak.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hyh_1am.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hyi_1ao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hym_cjc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hyp_1a1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hys_1bj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hyt_ce1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hyt_obn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hyu_1bk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hz0_1av.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hzm_1bw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4hzt_0za.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i03_l88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i06_x8a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i0d_1b7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i0e_1b8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i0f_1bf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i0r_1b4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i0s_1b5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i0t_1b6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i0z_1bb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i10_1bs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i1c_1be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i1r_lzu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i23_1c9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i2i_ap5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i2p_g73.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i2q_1bt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i32_1bv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i3p_1cw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i4b_1cv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i4e_1bq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i4f_1br.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i4g_z8z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i4h_z9z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i56_1cz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i5c_c5i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i5h_g17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i5m_r78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i5p_1d1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i60_b1r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i6b_11g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i6f_1c7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i6h_1c8.sdf
189: # Unit tests for OBLogP and OBPSA 
189: 1..7
189: ok 1
189: ok 2 # 1.4008
189: ok 3 # 29.46
189: ok 4 # 2.5815
189: ok 5 # 0
189: ok 6 # 2.0264
189: ok 7 # 29.1
188: # Testing iterators...  
188: ok 1
188: ok 2
188: ok 3
188: ok 4
188: ok 5
188: ok 6
188: ok 7
188: ok 8
188: ok 9
188: ok 10
188: ok 11
188: ok 12
188: ok 13
188: ok 14
188: ok 15
188: ok 16
188: ok 17
188: ok 18
188: ok 19
188: ok 20
188: ok 21
188: ok 22
188: ok 23
188: ok 24
188: ok 25
188: ok 26
188: ok 27
188: ok 28
188: ok 29
188: ok 30
188: ok 31
188: ok 32
188: ok 33
188: ok 34
188: ok 35
188: ok 36
188: ok 37
188: ok 38
188: ok 39
188: ok 40
188: ok 41
188: ok 42
188: ok 43
188: ok 44
188: ok 45
188: ok 46
188: ok 47
188: ok 48
188: ok 49
188: ok 50
188: ok 51
188: ok 52
188: ok 53
188: ok 54
188: ok 55
188: ok 56
188: ok 57
188: ok 58
188: ok 59
188: ok 60
188: ok 61
188: ok 62
188: ok 63
188: ok 64
188: ok 65
188: ok 66
188: ok 67
188: ok 68
188: ok 69
188: ok 70
188: ok 71
188: ok 72
188: ok 73
188: ok 74
188: ok 75
188: ok 76
188: ok 77
188: ok 78
188: ok 79
188: ok 80
188: ok 81
188: ok 82
188: ok 83
188: ok 84
188: ok 85
188: ok 86
188: ok 87
188: ok 88
188: ok 89
188: ok 90
188: ok 91
188: ok 92
188: ok 93
188: ok 94
188: ok 95
188: ok 96
188: ok 97
188: ok 98
188: ok 99
188: ok 100
188: ok 101
188: ok 102
188: ok 103
188: ok 104
188: ok 105
188: ok 106
188: ok 107
188: ok 108
188: ok 109
188: ok 110
188: ok 111
188: ok 112
188: ok 113
188: ok 114
188: ok 115
188: ok 116
188: ok 117
188: ok 118
188: ok 119
188: ok 120
188: ok 121
188: ok 122
188: ok 123
188: ok 124
188: ok 125
188: ok 126
188: ok 127
188: ok 128
188: ok 129
188: ok 130
188: ok 131
188: ok 132
188: ok 133
188: ok 134
188: ok 135
188: ok 136
188: ok 137
188: ok 138
188: ok 139
188: ok 140
188: ok 141
188: ok 142
188: ok 143
188: ok 144
188: ok 145
188: ok 146
188: ok 147
188: ok 148
188: ok 149
188: ok 150
188: ok 151
188: ok 152
188: ok 153
188: ok 154
188: ok 155
188: ok 156
188: ok 157
188: ok 158
188: ok 159
188: ok 160
188: ok 161
188: ok 162
188: ok 163
188: ok 164
188: ok 165
188: ok 166
188: ok 167
188: ok 168
188: ok 169
188: ok 170
188: ok 171
188: ok 172
188: ok 173
188: ok 174
188: ok 175
188: ok 176
188: ok 177
188: ok 178
188: ok 179
188: ok 180
188: ok 181
188: ok 182
188: ok 183
188: ok 184
188: ok 185
188: ok 186
188: ok 187
188: ok 188
188: ok 189
188: ok 190
188: ok 191
188: ok 192
188: ok 193
188: ok 194
188: ok 195
188: ok 196
188: ok 197
188: ok 198
188: ok 199
188: ok 200
188: ok 201
188: ok 202
188: ok 203
188: ok 204
188: ok 205
188: ok 206
188: ok 207
188: ok 208
188: ok 209
188: ok 210
188: ok 211
188: ok 212
188: ok 213
188: ok 214
188: ok 215
188: ok 216
188: ok 217
188: ok 218
188: ok 219
188: ok 220
188: ok 221
188: ok 222
188: ok 223
188: ok 224
188: ok 225
188: ok 226
188: ok 227
188: ok 228
188: ok 229
188: ok 230
188: ok 231
188: ok 232
188: ok 233
188: ok 234
188: ok 235
188: ok 236
188: ok 237
188: ok 238
188: ok 239
188: ok 240
188: ok 241
188: ok 242
188: ok 243
188: ok 244
188: ok 245
188: ok 246
188: ok 247
188: ok 248
188: ok 249
188: ok 250
188: ok 251
188: ok 252
188: ok 253
188: ok 254
188: ok 255
188: ok 256
188: ok 257
188: ok 258
188: ok 259
188: ok 260
188: ok 261
188: ok 262
188: ok 263
188: ok 264
188: ok 265
188: ok 266
188: ok 267
188: ok 268
188: ok 269
188: ok 270
188: ok 271
188: ok 272
188: ok 273
188: ok 274
188: ok 275
188: ok 276
188: ok 277
188: ok 278
188: ok 279
188: ok 280
188: ok 281
188: ok 282
188: ok 283
188: ok 284
188: ok 285
188: ok 286
188: ok 287
188: ok 288
188: ok 289
188: ok 290
188: ok 291
188: ok 292
188: ok 293
188: ok 294
188: ok 295
188: ok 296
188: ok 297
188: ok 298
188: ok 299
188: ok 300
188: ok 301
188: ok 302
188: ok 303
188: ok 304
188: ok 305
188: ok 306
188: ok 307
188: ok 308
188: ok 309
188: ok 310
188: ok 311
188: ok 312
188: ok 313
188: ok 314
188: ok 315
188: ok 316
188: ok 317
188: ok 318
188: ok 319
188: ok 320
188: ok 321
188: ok 322
188: ok 323
188: ok 324
188: ok 325
188: ok 326
188: ok 327
188: ok 328
188: ok 329
188: ok 330
188: ok 331
188: ok 332
188: ok 333
188: ok 334
188: ok 335
188: ok 336
188: ok 337
188: ok 338
188: ok 339
188: ok 340
188: ok 341
188: ok 342
188: ok 343
188: ok 344
188: ok 345
188: ok 346
188: ok 347
188: ok 348
188: ok 349
188: ok 350
188: ok 351
188: ok 352
188: ok 353
188: ok 354
188: ok 355
188: ok 356
188: ok 357
188: ok 358
188: ok 359
188: ok 360
188: ok 361
188: ok 362
188: ok 363
188: ok 364
188: ok 365
188: ok 366
188: ok 367
188: ok 368
188: ok 369
188: ok 370
188: ok 371
188: ok 372
188: ok 373
188: ok 374
188: ok 375
188: ok 376
188: ok 377
188: ok 378
188: ok 379
188: ok 380
188: ok 381
188: ok 382
188: ok 383
188: ok 384
188: ok 385
188: ok 386
188: ok 387
188: ok 388
188: ok 389
188: ok 390
188: ok 391
188: ok 392
188: ok 393
188: ok 394
188: ok 395
188: ok 396
188: ok 397
188: ok 398
188: ok 399
188: ok 400
188: ok 401
188: ok 402
188: ok 403
188: ok 404
188: ok 405
188: ok 406
188: ok 407
188: ok 408
188: ok 409
188: ok 410
188: ok 411
188: ok 412
188: ok 413
188: ok 414
188: ok 415
188: ok 416
188: ok 417
188: ok 418
188: ok 419
188: ok 420
188: ok 421
188: ok 422
188: ok 423
188: ok 424
188: ok 425
188: ok 426
188: ok 427
188: ok 428
188: ok 429
188: ok 430
188: ok 431
188: ok 432
188: ok 433
188: ok 434
188: ok 435
188: ok 436
188: ok 437
188: ok 438
188: ok 439
188: ok 440
188: ok 441
188: ok 442
188: ok 443
188: ok 444
188: ok 445
188: ok 446
188: ok 447
188: ok 448
188: ok 449
188: ok 450
188: ok 451
188: ok 452
188: ok 453
188: ok 454
188: ok 455
188: ok 456
188: ok 457
188: ok 458
188: ok 459
188: ok 460
188: ok 461
188: ok 462
188: ok 463
188: ok 464
188: ok 465
188: ok 466
188: ok 467
188: ok 468
188: ok 469
188: ok 470
188: ok 471
188: ok 472
188: ok 473
188: ok 474
188: ok 475
188: ok 476
188: ok 477
188: ok 478
188: ok 479
188: ok 480
188: ok 481
188: ok 482
188: ok 483
188: ok 484
188: ok 485
188: ok 486
188: ok 487
188: ok 488
188: ok 489
188: ok 490
188: ok 491
188: ok 492
188: ok 493
188: ok 494
188: ok 495
188: ok 496
188: ok 497
188: ok 498
188: ok 499
188: ok 500
188: ok 501
188: ok 502
188: ok 503
188: ok 504
188: ok 505
188: ok 506
188: ok 507
188: ok 508
188: ok 509
188: ok 510
188: ok 511
188: ok 512
188: ok 513
188: ok 514
188: ok 515
188: ok 516
188: ok 517
188: ok 518
188: ok 519
188: ok 520
188: ok 521
188: ok 522
188: ok 523
188: ok 524
188: ok 525
188: ok 526
188: ok 527
188: ok 528
188: ok 529
188: ok 530
188: ok 531
188: ok 532
188: ok 533
188: ok 534
188: ok 535
188: ok 536
188: ok 537
188: ok 538
188: ok 539
188: ok 540
188: ok 541
188: ok 542
188: ok 543
188: ok 544
188: ok 545
188: ok 546
188: ok 547
188: ok 548
188: ok 549
188: ok 550
188: ok 551
188: ok 552
188: ok 553
188: ok 554
188: ok 555
188: ok 556
188: ok 557
188: ok 558
188: ok 559
188: ok 560
188: ok 561
188: ok 562
188: ok 563
188: ok 564
188: ok 565
188: ok 566
188: ok 567
188: ok 568
188: ok 569
188: ok 570
188: ok 571
188: ok 572
188: ok 573
188: ok 574
188: ok 575
188: ok 576
188: ok 577
188: ok 578
188: ok 579
188: ok 580
188: ok 581
188: ok 582
188: ok 583
188: ok 584
188: ok 585
188: ok 586
188: ok 587
188: ok 588
188: ok 589
188: ok 590
188: ok 591
188: ok 592
188: ok 593
188: ok 594
188: ok 595
188: ok 596
188: ok 597
186/223 Test #189: test_logp_psa_1 ..................   Passed    0.12 sec
test 190
        Start 190: test_math_1
190: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "1"
190: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
190: Environment variables: 
190:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
190:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
190: Test timeout computed to be: 1500
179:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
179:     electro (  1.260,   1.567,   2.216)  (  1.260,   1.567,   2.216)  ( 0.00,  0.00,  0.00)
179:  7       ( -5.272,  -8.082,  -8.394)  ( -5.266,  -8.076,  -8.389)  ( 0.11,  0.07,  0.07)
179:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
179:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
179:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.016,  -0.029,   0.035)  ( -0.016,  -0.029,   0.035)  ( 0.00,  0.00,  0.00)
179:  8       (  1.728,  10.474,  24.887)  (  1.734,  10.474,  24.938)  ( 0.32,  0.00,  0.20)
179:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
179:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
179:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
179:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.852,   1.333,  -0.654)  ( -2.852,   1.333,  -0.654)  ( 0.00,  0.00,  0.00)
179:  9       (  8.282, -17.496,  -4.338)  (  8.284, -17.494,  -4.331)  ( 0.02,  0.01,  0.14)
179:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
179:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.854,  -0.519,  -2.230)  ( -0.854,  -0.519,  -2.230)  ( 0.00,  0.00,  0.00)
179: 10       ( 12.548,   0.140, -14.985)  ( 12.549,   0.147, -14.984)  ( 0.01,  0.10,  0.01)
179:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
179:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.689,  -2.068,  -1.261)  ( -0.689,  -2.068,  -1.261)  ( 0.00,  0.00,  0.00)
179: 11       (-10.575,  -8.846,  -5.661)  (-10.571,  -8.813,  -5.772)  ( 0.03,  0.38,  1.96)
179:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
179:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
179:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.021,  -0.018,  -0.016)  ( -0.021,  -0.018,  -0.016)  ( 0.00,  0.00,  0.00)
179: 12       (-24.157,   0.640,  -1.425)  (-24.149,   0.633,  -1.363)  ( 0.03,  0.45,  4.37)
179:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
179:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
179:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
179:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
179:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
179:     electro (  0.966,  -0.478,  -0.270)  (  0.966,  -0.478,  -0.270)  ( 0.00,  0.00,  0.00)
179: 13       (  9.671, -18.090,  -9.125)  (  9.679, -18.096,  -9.073)  ( 0.08,  0.03,  0.57)
179:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
179:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
179:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
179:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
179:     electro (  0.455,  -0.149,  -0.044)  (  0.455,  -0.149,  -0.044)  ( 0.00,  0.00,  0.00)
179: 14       (-13.663,  -2.396,   4.950)  (-13.657,  -2.371,   4.880)  ( 0.04,  1.04,  1.41)
179:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
179:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
179:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
179:     electro (  0.030,   0.111,  -0.061)  (  0.030,   0.111,  -0.061)  ( 0.00,  0.00,  0.00)
179: 15       ( 13.797, -14.175,  -4.609)  ( 13.759, -14.176,  -4.431)  ( 0.28,  0.01,  3.87)
179:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
179:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
179:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
179:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.432,   0.129,  -0.052)  ( -0.432,   0.129,  -0.052)  ( 0.00,  0.00,  0.00)
179: 16       (-18.628,  20.328,   6.654)  (-18.621,  20.351,   6.601)  ( 0.04,  0.11,  0.80)
179:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
179:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
179:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
179:     electro (  0.588,  -0.473,  -0.110)  (  0.588,  -0.473,  -0.110)  ( 0.00,  0.00,  0.00)
179: 17       ( -6.589,  20.521,   5.019)  ( -6.584,  20.520,   5.042)  ( 0.08,  0.00,  0.45)
179:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
179:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
179:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.048,   0.362,   0.971)  ( -0.048,   0.362,   0.971)  ( 0.00,  0.00,  0.00)
179: 18       (  4.901,  -9.780,  -7.635)  (  4.906,  -9.775,  -7.629)  ( 0.12,  0.05,  0.07)
179:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
179:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
179:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
179:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
179:     electro (  0.296,  -0.282,  -0.155)  (  0.296,  -0.282,  -0.155)  ( 0.00,  0.00,  0.00)
179: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
179:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
179:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
179:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
179:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (-13.410,  36.890,  -6.616)  (-13.231,  36.875,  -7.066)  ( 1.34,  0.04,  6.81)
179:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
179:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
179:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
179:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
179:     electro (  2.129,  -0.052,   0.444)  (  2.129,  -0.052,   0.444)  ( 0.00,  0.00,  0.00)
179: 21       (-27.162,  29.352, -13.784)  (-27.190,  29.364, -13.696)  ( 0.10,  0.04,  0.64)
179:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
179:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
179:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
179:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
179:     electro (  1.398,  -1.371,   0.911)  (  1.398,  -1.371,   0.911)  ( 0.00,  0.00,  0.00)
179: 22       ( 25.373,  -3.530,  11.099)  ( 25.354,  -3.518,  11.172)  ( 0.08,  0.35,  0.65)
179:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
179:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
179:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
179:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
179:     electro (  0.200,  -0.470,   0.097)  (  0.200,  -0.470,   0.097)  ( 0.00,  0.00,  0.00)
179: 23       (-25.753, -35.180,  -7.611)  (-25.763, -35.169,  -7.561)  ( 0.04,  0.03,  0.66)
179:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
179:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
179:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
179:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.795,  -0.886,  -0.241)  ( -0.795,  -0.886,  -0.241)  ( 0.00,  0.00,  0.00)
179: 24       ( -0.951,  42.977,  -2.589)  ( -0.872,  42.973,  -2.760)  ( 7.57,  0.01,  6.61)
179:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
179:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
179:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
179:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
179:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -3.281,   1.124,  -1.446)  ( -3.281,   1.124,  -1.446)  ( 0.00,  0.00,  0.00)
179: 25       (  2.353, -57.543,   5.157)  (  2.241, -57.512,   5.467)  ( 4.76,  0.05,  5.99)
179:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
179:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
179:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
179:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
179:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
179:     electro (  0.340,   1.560,   0.515)  (  0.340,   1.560,   0.515)  ( 0.00,  0.00,  0.00)
179: 26       (-24.471, -19.645,  -3.911)  (-24.482, -19.634,  -3.861)  ( 0.04,  0.05,  1.28)
179:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
179:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
179:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
179:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.082,   0.233,  -0.042)  ( -0.082,   0.233,  -0.042)  ( 0.00,  0.00,  0.00)
179: 27       ( 41.711,  24.030,  14.411)  ( 41.729,  24.033,  14.383)  ( 0.04,  0.01,  0.19)
179:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
179:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
179:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
179:     electro (  0.440,   0.358,   0.107)  (  0.440,   0.358,   0.107)  ( 0.00,  0.00,  0.00)
179: 28       ( 11.710, -34.700,   6.799)  ( 11.713, -34.692,   6.813)  ( 0.02,  0.02,  0.21)
179:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
179:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
179:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i6q_1dt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i6w_1co.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i7f_nve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i85_h50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i8n_1cg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i8v_bhf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i8w_g07.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i8x_6p3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i8z_g08.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i91_tmh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9d_l4d.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 5 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 8 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 15 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 23 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9h_1e4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9i_1dy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9j_xp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9n_1e5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9n_1e6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9u_1e7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4i9z_5ba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ia0_5bb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ia1_biv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ia9_ia9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iaq_2gm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ib4_erm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ib9_cat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibb_1dk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibc_12g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibd_1dl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibe_11y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibf_1d5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibg_1d6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibi_1d8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibj_1d9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibk_1de.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ibm_ir1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ic0_gde.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ict_1ed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4id7_1g0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4idt_t28.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4idv_13v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ie1_1ec.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ie3_1ee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ie6_un9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ie7_rhn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ie9_pzx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ieh_1e9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4if7_hcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ifh_1ef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ifn_12o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ig0_1fg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ig5_mmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4igh_1ea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4igr_3za.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4igs_64i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ih5_12r.sdf
188: ok 598
188: ok 599
188: ok 600
188: ok 601
188: ok 602
188: ok 603
188: ok 604
188: ok 605
188: ok 606
188: ok 607
188: ok 608
188: ok 609
188: ok 610
188: ok 611
188: ok 612
188: ok 613
188: ok 614
188: ok 615
188: ok 616
188: ok 617
188: ok 618
188: ok 619
188: ok 620
188: ok 621
188: ok 622
188: ok 623
188: ok 624
188: ok 625
188: ok 626
188: ok 627
188: ok 628
188: ok 629
188: ok 630
188: ok 631
188: ok 632
188: ok 633
188: ok 634
188: ok 635
188: ok 636
188: ok 637
188: ok 638
188: ok 639
188: ok 640
188: ok 641
188: ok 642
188: ok 643
188: ok 644
188: ok 645
188: ok 646
188: ok 647
188: ok 648
188: ok 649
188: ok 650
188: ok 651
188: ok 652
188: ok 653
188: ok 654
188: ok 655
188: ok 656
188: ok 657
188: ok 658
188: ok 659
188: ok 660
188: ok 661
188: ok 662
188: ok 663
188: ok 664
188: ok 665
188: ok 666
188: ok 667
188: ok 668
188: ok 669
188: ok 670
188: ok 671
188: ok 672
188: ok 673
188: ok 674
188: ok 675
188: ok 676
188: ok 677
188: ok 678
188: ok 679
188: ok 680
188: ok 681
188: ok 682
188: ok 683
188: ok 684
188: ok 685
188: ok 686
188: ok 687
188: ok 688
188: ok 689
188: ok 690
188: ok 691
188: ok 692
188: ok 693
188: ok 694
188: ok 695
188: ok 696
188: ok 697
188: ok 698
188: ok 699
188: ok 700
188: ok 701
188: ok 702
188: ok 703
188: ok 704
188: ok 705
188: ok 706
188: ok 707
188: ok 708
188: ok 709
188: ok 710
188: ok 711
188: ok 712
188: ok 713
188: ok 714
188: ok 715
188: ok 716
188: ok 717
188: ok 718
188: ok 719
188: ok 720
188: ok 721
188: ok 722
188: ok 723
188: ok 724
188: ok 725
188: ok 726
188: ok 727
188: ok 728
188: ok 729
188: ok 730
188: ok 731
188: ok 732
188: ok 733
188: ok 734
188: ok 735
188: ok 736
188: ok 737
188: ok 738
188: ok 739
188: ok 740
188: ok 741
188: ok 742
188: ok 743
188: ok 744
188: ok 745
188: ok 746
188: ok 747
188: ok 748
188: ok 749
188: ok 750
188: ok 751
188: ok 752
188: ok 753
188: ok 754
188: ok 755
188: ok 756
188: ok 757
188: ok 758
188: ok 759
188: ok 760
188: ok 761
188: ok 762
188: ok 763
188: ok 764
188: ok 765
188: ok 766
188: ok 767
188: ok 768
188: ok 769
188: ok 770
188: ok 771
188: ok 772
188: ok 773
188: ok 774
188: ok 775
188: ok 776
188: ok 777
188: ok 778
188: ok 779
188: ok 780
188: ok 781
188: ok 782
188: ok 783
188: ok 784
188: ok 785
188: ok 786
188: ok 787
188: ok 788
188: ok 789
188: ok 790
188: ok 791
188: ok 792
188: ok 793
188: ok 794
188: ok 795
188: ok 796
188: ok 797
188: ok 798
188: ok 799
188: ok 800
188: ok 801
188: ok 802
188: ok 803
188: ok 804
188: ok 805
188: ok 806
188: ok 807
188: ok 808
188: ok 809
188: ok 810
188: ok 811
188: ok 812
188: ok 813
188: ok 814
188: ok 815
188: ok 816
188: ok 817
188: ok 818
188: ok 819
188: ok 820
188: ok 821
188: ok 822
188: ok 823
188: ok 824
188: ok 825
188: ok 826
188: ok 827
188: ok 828
188: ok 829
188: ok 830
188: ok 831
188: ok 832
188: ok 833
188: ok 834
188: ok 835
188: ok 836
188: ok 837
188: ok 838
188: ok 839
188: ok 840
188: ok 841
188: ok 842
188: ok 843
188: ok 844
188: ok 845
188: ok 846
188: ok 847
188: ok 848
188: ok 849
188: ok 850
188: ok 851
188: ok 852
188: ok 853
188: ok 854
188: ok 855
188: ok 856
188: ok 857
188: ok 858
188: ok 859
188: ok 860
188: ok 861
188: ok 862
188: ok 863
188: ok 864
188: ok 865
188: ok 866
188: ok 867
188: ok 868
188: ok 869
188: ok 870
188: ok 871
188: ok 872
188: ok 873
188: ok 874
188: ok 875
188: ok 876
188: ok 877
188: ok 878
188: ok 879
188: ok 880
188: ok 881
188: ok 882
188: ok 883
188: ok 884
188: ok 885
188: ok 886
188: ok 887
188: ok 888
188: ok 889
188: ok 890
188: ok 891
188: ok 892
188: ok 893
188: ok 894
188: ok 895
188: ok 896
188: ok 897
188: ok 898
188: ok 899
188: ok 900
188: ok 901
188: ok 902
188: ok 903
188: ok 904
188: ok 905
188: ok 906
188: ok 907
188: ok 908
188: ok 909
188: ok 910
188: ok 911
188: ok 912
188: ok 913
188: ok 914
188: ok 915
188: ok 916
188: ok 917
188: ok 918
188: ok 919
188: ok 920
188: ok 921
188: ok 922
188: ok 923
188: ok 924
188: ok 925
188: ok 926
188: ok 927
188: ok 928
188: ok 929
188: ok 930
188: ok 931
188: ok 932
188: ok 933
188: ok 934
188: ok 935
188: ok 936
188: ok 937
188: ok 938
188: ok 939
188: ok 940
188: ok 941
188: ok 942
188: ok 943
188: ok 944
188: ok 945
188: ok 946
188: ok 947
188: ok 948
188: ok 949
188: ok 950
188: ok 951
188: ok 952
188: ok 953
188: ok 954
188: ok 955
188: ok 956
188: ok 957
188: ok 958
188: ok 959
188: ok 960
188: ok 961
188: ok 962
188: ok 963
188: ok 964
188: ok 965
188: ok 966
188: ok 967
188: ok 968
188: ok 969
188: ok 970
188: ok 971
188: ok 972
188: ok 973
188: ok 974
188: ok 975
188: ok 976
188: ok 977
188: ok 978
188: ok 979
188: ok 980
188: ok 981
188: ok 982
188: ok 983
188: ok 984
188: ok 985
188: ok 986
188: ok 987
188: ok 988
188: ok 989
188: ok 990
188: ok 991
188: ok 992
188: ok 993
188: ok 994
188: ok 995
188: ok 996
188: ok 997
188: ok 998
188: ok 999
188: ok 1000
188: ok 1001
188: ok 1002
188: ok 1003
188: ok 1004
188: ok 1005
188: ok 1006
188: ok 1007
188: ok 1008
188: ok 1009
188: ok 1010
188: ok 1011
188: ok 1012
188: ok 1013
188: ok 1014
188: ok 1015
188: ok 1016
188: ok 1017
188: ok 1018
188: ok 1019
188: ok 1020
188: ok 1021
188: ok 1022
188: ok 1023
188: ok 1024
188: ok 1025
188: ok 1026
188: ok 1027
188: ok 1028
188: ok 1029
188: ok 1030
188: ok 1031
188: ok 1032
188: ok 1033
188: ok 1034
188: ok 1035
188: ok 1036
188: ok 1037
188: ok 1038
188: ok 1039
188: ok 1040
188: ok 1041
188: ok 1042
188: ok 1043
188: ok 1044
188: ok 1045
188: ok 1046
188: ok 1047
188: ok 1048
188: ok 1049
188: ok 1050
188: ok 1051
188: ok 1052
188: ok 1053
188: ok 1054
188: ok 1055
188: ok 1056
188: ok 1057
188: ok 1058
188: ok 1059
188: ok 1060
188: ok 1061
188: ok 1062
188: ok 1063
188: ok 1064
188: ok 1065
188: ok 1066
188: ok 1067
188: ok 1068
188: ok 1069
188: ok 1070
188: ok 1071
188: ok 1072
188: ok 1073
188: ok 1074
188: ok 1075
188: ok 1076
188: ok 1077
188: ok 1078
188: ok 1079
188: ok 1080
188: ok 1081
188: ok 1082
188: ok 1083
188: ok 1084
188: ok 1085
188: ok 1086
188: ok 1087
188: ok 1088
188: ok 1089
188: ok 1090
188: ok 1091
188: ok 1092
188: ok 1093
188: ok 1094
188: ok 1095
188: ok 1096
188: ok 1097
188: ok 1098
188: ok 1099
188: ok 1100
188: ok 1101
188: ok 1102
188: ok 1103
188: ok 1104
188: ok 1105
188: ok 1106
188: ok 1107
188: ok 1108
188: ok 1109
188: ok 1110
188: ok 1111
188: ok 1112
188: ok 1113
188: ok 1114
188: ok 1115
188: ok 1116
188: ok 1117
188: ok 1118
188: ok 1119
188: ok 1120
188: ok 1121
188: ok 1122
188: ok 1123
188: ok 1124
188: ok 1125
188: ok 1126
188: ok 1127
188: ok 1128
188: ok 1129
188: ok 1130
188: ok 1131
188: ok 1132
188: ok 1133
188: ok 1134
188: ok 1135
188: ok 1136
188: ok 1137
188: ok 1138
188: ok 1139
188: ok 1140
188: ok 1141
188: ok 1142
188: ok 1143
188: ok 1144
188: ok 1145
188: ok 1146
188: ok 1147
188: ok 1148
188: ok 1149
188: ok 1150
188: ok 1151
188: ok 1152
188: ok 1153
188: ok 1154
188: ok 1155
188: ok 1156
188: ok 1157
188: ok 1158
188: ok 1159
188: ok 1160
188: ok 1161
188: ok 1162
188: ok 1163
188: ok 1164
188: ok 1165
188: ok 1166
188: ok 1167
188: ok 1168
188: ok 1169
188: ok 1170
188: ok 1171
188: ok 1172
188: ok 1173
188: ok 1174
188: ok 1175
188: ok 1176
188: ok 1177
188: ok 1178
188: ok 1179
188: ok 1180
188: ok 1181
188: ok 1182
188: ok 1183
188: ok 1184
188: ok 1185
188: ok 1186
188: ok 1187
188: ok 1188
188: ok 1189
188: ok 1190
188: ok 1191
188: ok 1192
188: ok 1193
188: ok 1194
188: ok 1195
188: ok 1196
188: ok 1197
188: ok 1198
188: ok 1199
188: ok 1200
188: ok 1201
188: ok 1202
188: ok 1203
188: ok 1204
188: ok 1205
188: ok 1206
188: ok 1207
188: ok 1208
188: ok 1209
188: ok 1210
188: ok 1211
188: ok 1212
188: ok 1213
188: ok 1214
188: ok 1215
188: ok 1216
188: ok 1217
188: ok 1218
188: ok 1219
188: ok 1220
188: ok 1221
188: ok 1222
188: ok 1223
188: ok 1224
188: ok 1225
188: ok 1226
188: ok 1227
188: ok 1228
188: ok 1229
188: ok 1230
188: ok 1231
188: ok 1232
188: ok 1233
188: ok 1234
188: ok 1235
188: ok 1236
188: ok 1237
188: ok 1238
188: ok 1239
188: ok 1240
188: ok 1241
188: ok 1242
188: ok 1243
188: ok 1244
188: ok 1245
188: ok 1246
188: ok 1247
188: ok 1248
188: ok 1249
188: ok 1250
188: ok 1251
188: ok 1252
188: ok 1253
188: ok 1254
188: ok 1255
188: ok 1256
188: ok 1257
188: ok 1258
188: ok 1259
188: ok 1260
188: ok 1261
188: ok 1262
188: ok 1263
188: ok 1264
188: ok 1265
188: ok 1266
188: ok 1267
188: ok 1268
188: ok 1269
188: ok 1270
188: ok 1271
188: ok 1272
188: ok 1273
188: ok 1274
188: ok 1275
188: ok 1276
188: ok 1277
188: ok 1278
188: ok 1279
188: ok 1280
188: ok 1281
188: ok 1282
188: ok 1283
188: ok 1284
188: ok 1285
188: ok 1286
188: ok 1287
188: ok 1288
188: ok 1289
188: ok 1290
188: ok 1291
188: ok 1292
188: ok 1293
188: ok 1294
188: ok 1295
188: ok 1296
188: ok 1297
188: ok 1298
188: ok 1299
188: ok 1300
188: ok 1301
188: ok 1302
188: ok 1303
188: ok 1304
188: ok 1305
188: ok 1306
188: ok 1307
188: ok 1308
188: ok 1309
188: ok 1310
188: ok 1311
188: ok 1312
188: ok 1313
188: ok 1314
188: ok 1315
188: ok 1316
188: ok 1317
188: ok 1318
188: ok 1319
188: ok 1320
188: ok 1321
188: ok 1322
188: ok 1323
188: ok 1324
188: ok 1325
188: ok 1326
188: ok 1327
188: ok 1328
188: ok 1329
188: ok 1330
188: ok 1331
188: ok 1332
188: ok 1333
188: ok 1334
188: ok 1335
188: ok 1336
188: ok 1337
188: ok 1338
188: ok 1339
188: ok 1340
188: ok 1341
188: ok 1342
188: 1..1342
187/223 Test #188: test_iterators_1 .................   Passed    0.13 sec
test 191
        Start 191: test_math_2
191: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "2"
191: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
191: Environment variables: 
191:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
191:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
191: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ih6_1ep.sdf
190: # math: repeating each test 1000 times
190: # Testing MMFF94 Force Field...
190: # math: entering testBasics_vector3
190: ok 1
190: ok 2
190: ok 3
190: ok 4
190: ok 5
190: ok 6
190: ok 7
190: ok 8
190: ok 9
190: ok 10
190: ok 11
190: ok 12
190: ok 13
190: ok 14
190: ok 15
190: ok 16
190: ok 17
190: ok 18
190: ok 19
190: ok 20
190: ok 21
190: ok 22
190: ok 23
190: ok 24
190: ok 25
190: ok 26
190: ok 27
190: ok 28
190: ok 29
190: ok 30
190: ok 31
190: ok 32
190: ok 33
190: ok 34
190: ok 35
190: ok 36
190: ok 37
190: ok 38
190: ok 39
190: ok 40
190: ok 41
190: ok 42
190: ok 43
190: ok 44
190: ok 45
190: ok 46
190: ok 47
190: ok 48
190: ok 49
190: ok 50
190: ok 51
190: ok 52
190: ok 53
190: ok 54
190: ok 55
190: ok 56
190: ok 57
190: ok 58
190: ok 59
190: ok 60
190: ok 61
190: ok 62
190: ok 63
190: ok 64
190: ok 65
190: ok 66
190: ok 67
190: ok 68
190: ok 69
190: ok 70
190: ok 71
190: ok 72
190: ok 73
190: ok 74
190: ok 75
190: ok 76
190: ok 77
190: ok 78
190: ok 79
190: ok 80
190: ok 81
190: ok 82
190: ok 83
190: ok 84
190: ok 85
190: ok 86
190: ok 87
190: ok 88
190: ok 89
190: ok 90
190: ok 91
190: ok 92
190: ok 93
190: ok 94
190: ok 95
190: ok 96
190: ok 97
190: ok 98
190: ok 99
190: ok 100
190: ok 101
190: ok 102
190: ok 103
190: ok 104
190: ok 105
190: ok 106
190: ok 107
190: ok 108
190: ok 109
190: ok 110
190: ok 111
190: ok 112
190: ok 113
190: ok 114
190: ok 115
190: ok 116
190: ok 117
190: ok 118
190: ok 119
190: ok 120
190: ok 121
190: ok 122
190: ok 123
190: ok 124
190: ok 125
190: ok 126
190: ok 127
190: ok 128
190: ok 129
190: ok 130
190: ok 131
190: ok 132
190: ok 133
190: ok 134
190: ok 135
190: ok 136
190: ok 137
190: ok 138
190: ok 139
190: ok 140
190: ok 141
190: ok 142
190: ok 143
190: ok 144
190: ok 145
190: ok 146
190: ok 147
190: ok 148
190: ok 149
190: ok 150
190: ok 151
190: ok 152
190: ok 153
190: ok 154
190: ok 155
190: ok 156
190: ok 157
190: ok 158
190: ok 159
190: ok 160
190: ok 161
190: ok 162
190: ok 163
190: ok 164
190: ok 165
190: ok 166
190: ok 167
190: ok 168
190: ok 169
190: ok 170
190: ok 171
190: ok 172
190: ok 173
190: ok 174
190: ok 175
190: ok 176
190: ok 177
190: ok 178
190: ok 179
190: ok 180
190: ok 181
190: ok 182
190: ok 183
190: ok 184
190: ok 185
190: ok 186
190: ok 187
190: ok 188
190: ok 189
190: ok 190
190: ok 191
190: ok 192
190: ok 193
190: ok 194
190: ok 195
190: ok 196
190: ok 197
190: ok 198
190: ok 199
190: ok 200
190: ok 201
190: ok 202
190: ok 203
190: ok 204
190: ok 205
190: ok 206
190: ok 207
190: ok 208
190: ok 209
190: ok 210
190: ok 211
190: ok 212
190: ok 213
190: ok 214
190: ok 215
190: ok 216
190: ok 217
190: ok 218
190: ok 219
190: ok 220
190: ok 221
190: ok 222
190: ok 223
190: ok 224
190: ok 225
190: ok 226
190: ok 227
190: ok 228
190: ok 229
190: ok 230
190: ok 231
190: ok 232
190: ok 233
190: ok 234
190: ok 235
190: ok 236
190: ok 237
190: ok 238
190: ok 239
190: ok 240
190: ok 241
190: ok 242
190: ok 243
190: ok 244
190: ok 245
190: ok 246
190: ok 247
190: ok 248
190: ok 249
190: ok 250
190: ok 251
190: ok 252
190: ok 253
190: ok 254
190: ok 255
190: ok 256
190: ok 257
190: ok 258
190: ok 259
190: ok 260
190: ok 261
190: ok 262
190: ok 263
190: ok 264
190: ok 265
190: ok 266
190: ok 267
190: ok 268
190: ok 269
190: ok 270
190: ok 271
190: ok 272
190: ok 273
190: ok 274
190: ok 275
190: ok 276
190: ok 277
190: ok 278
190: ok 279
190: ok 280
190: ok 281
190: ok 282
190: ok 283
190: ok 284
190: ok 285
190: ok 286
190: ok 287
190: ok 288
190: ok 289
190: ok 290
190: ok 291
190: ok 292
190: ok 293
190: ok 294
190: ok 295
190: ok 296
190: ok 297
190: ok 298
190: ok 299
190: ok 300
190: ok 301
190: ok 302
190: ok 303
190: ok 304
190: ok 305
190: ok 306
190: ok 307
190: ok 308
190: ok 309
190: ok 310
190: ok 311
190: ok 312
190: ok 313
190: ok 314
190: ok 315
190: ok 316
190: ok 317
190: ok 318
190: ok 319
190: ok 320
190: ok 321
190: ok 322
190: ok 323
190: ok 324
190: ok 325
190: ok 326
190: ok 327
190: ok 328
190: ok 329
190: ok 330
190: ok 331
190: ok 332
190: ok 333
190: ok 334
190: ok 335
190: ok 336
190: ok 337
190: ok 338
190: ok 339
190: ok 340
190: ok 341
190: ok 342
190: ok 343
190: ok 344
190: ok 345
190: ok 346
190: ok 347
190: ok 348
190: ok 349
190: ok 350
190: ok 351
190: ok 352
190: ok 353
190: ok 354
190: ok 355
190: ok 356
190: ok 357
190: ok 358
190: ok 359
190: ok 360
190: ok 361
190: ok 362
190: ok 363
190: ok 364
190: ok 365
190: ok 366
190: ok 367
190: ok 368
190: ok 369
190: ok 370
190: ok 371
190: ok 372
190: ok 373
190: ok 374
190: ok 375
190: ok 376
190: ok 377
190: ok 378
190: ok 379
190: ok 380
190: ok 381
190: ok 382
190: ok 383
190: ok 384
190: ok 385
190: ok 386
190: ok 387
190: ok 388
190: ok 389
190: ok 390
190: ok 391
190: ok 392
190: ok 393
190: ok 394
190: ok 395
190: ok 396
190: ok 397
190: ok 398
190: ok 399
190: ok 400
190: ok 401
190: ok 402
190: ok 403
190: ok 404
190: ok 405
190: ok 406
190: ok 407
190: ok 408
190: ok 409
190: ok 410
190: ok 411
190: ok 412
190: ok 413
190: ok 414
190: ok 415
190: ok 416
190: ok 417
190: ok 418
190: ok 419
190: ok 420
190: ok 421
190: ok 422
190: ok 423
190: ok 424
190: ok 425
190: ok 426
190: ok 427
190: ok 428
190: ok 429
190: ok 430
190: ok 431
190: ok 432
190: ok 433
190: ok 434
190: ok 435
190: ok 436
190: ok 437
190: ok 438
190: ok 439
190: ok 440
190: ok 441
190: ok 442
190: ok 443
190: ok 444
190: ok 445
190: ok 446
190: ok 447
190: ok 448
190: ok 449
190: ok 450
190: ok 451
190: ok 452
190: ok 453
190: ok 454
190: ok 455
190: ok 456
190: ok 457
190: ok 458
190: ok 459
190: ok 460
190: ok 461
190: ok 462
190: ok 463
190: ok 464
190: ok 465
190: ok 466
190: ok 467
190: ok 468
190: ok 469
190: ok 470
190: ok 471
190: ok 472
190: ok 473
190: ok 474
190: ok 475
190: ok 476
190: ok 477
190: ok 478
190: ok 479
190: ok 480
190: ok 481
190: ok 482
190: ok 483
190: ok 484
190: ok 485
190: ok 486
190: ok 487
190: ok 488
190: ok 489
190: ok 490
190: ok 491
190: ok 492
190: ok 493
190: ok 494
190: ok 495
190: ok 496
190: ok 497
190: ok 498
190: ok 499
190: ok 500
190: ok 501
190: ok 502
190: ok 503
190: ok 504
190: ok 505
190: ok 506
190: ok 507
190: ok 508
190: ok 509
190: ok 510
190: ok 511
190: ok 512
190: ok 513
190: ok 514
190: ok 515
190: ok 516
190: ok 517
190: ok 518
190: ok 519
190: ok 520
190: ok 521
190: ok 522
190: ok 523
190: ok 524
190: ok 525
190: ok 526
190: ok 527
190: ok 528
190: ok 529
190: ok 530
190: ok 531
190: ok 532
190: ok 533
190: ok 534
190: ok 535
190: ok 536
190: ok 537
190: ok 538
190: ok 539
190: ok 540
190: ok 541
190: ok 542
190: ok 543
190: ok 544
190: ok 545
190: ok 546
190: ok 547
190: ok 548
190: ok 549
190: ok 550
190: ok 551
190: ok 552
190: ok 553
190: ok 554
190: ok 555
190: ok 556
190: ok 557
190: ok 558
190: ok 559
190: ok 560
190: ok 561
190: ok 562
190: ok 563
190: ok 564
190: ok 565
190: ok 566
190: ok 567
190: ok 568
190: ok 569
190: ok 570
190: ok 571
190: ok 572
190: ok 573
190: ok 574
190: ok 575
190: ok 576
190: ok 577
190: ok 578
190: ok 579
190: ok 580
190: ok 581
190: ok 582
190: ok 583
190: ok 584
190: ok 585
190: ok 586
190: ok 587
190: ok 588
190: ok 589
190: ok 590
190: ok 591
190: ok 592
190: ok 593
190: ok 594
190: ok 595
190: ok 596
190: ok 597
190: ok 598
190: ok 599
190: ok 600
190: ok 601
190: ok 602
190: ok 603
190: ok 604
190: ok 605
190: ok 606
190: ok 607
190: ok 608
190: ok 609
190: ok 610
190: ok 611
190: ok 612
190: ok 613
190: ok 614
190: ok 615
190: ok 616
190: ok 617
190: ok 618
190: ok 619
190: ok 620
190: ok 621
190: ok 622
190: ok 623
190: ok 624
190: ok 625
190: ok 626
190: ok 627
190: ok 628
190: ok 629
190: ok 630
190: ok 631
190: ok 632
190: ok 633
190: ok 634
190: ok 635
190: ok 636
190: ok 637
190: ok 638
190: ok 639
190: ok 640
190: ok 641
190: ok 642
190: ok 643
190: ok 644
190: ok 645
190: ok 646
190: ok 647
190: ok 648
190: ok 649
190: ok 650
190: ok 651
190: ok 652
190: ok 653
190: ok 654
190: ok 655
190: ok 656
190: ok 657
190: ok 658
190: ok 659
190: ok 660
190: ok 661
190: ok 662
190: ok 663
190: ok 664
190: ok 665
190: ok 666
190: ok 667
190: ok 668
190: ok 669
190: ok 670
190: ok 671
190: ok 672
190: ok 673
190: ok 674
190: ok 675
190: ok 676
190: ok 677
190: ok 678
190: ok 679
190: ok 680
190: ok 681
190: ok 682
190: ok 683
190: ok 684
190: ok 685
190: ok 686
190: ok 687
190: ok 688
190: ok 689
190: ok 690
190: ok 691
190: ok 692
190: ok 693
190: ok 694
190: ok 695
190: ok 696
190: ok 697
190: ok 698
190: ok 699
190: ok 700
190: ok 701
190: ok 702
190: ok 703
190: ok 704
190: ok 705
190: ok 706
190: ok 707
190: ok 708
190: ok 709
190: ok 710
190: ok 711
190: ok 712
190: ok 713
190: ok 714
190: ok 715
190: ok 716
190: ok 717
190: ok 718
190: ok 719
190: ok 720
190: ok 721
190: ok 722
190: ok 723
190: ok 724
190: ok 725
190: ok 726
190: ok 727
190: ok 728
190: ok 729
190: ok 730
190: ok 731
190: ok 732
190: ok 733
190: ok 734
190: ok 735
190: ok 736
190: ok 737
190: ok 738
190: ok 739
190: ok 740
190: ok 741
190: ok 742
190: ok 743
190: ok 744
190: ok 745
190: ok 746
190: ok 747
190: ok 748
190: ok 749
190: ok 750
190: ok 751
190: ok 752
190: ok 753
190: ok 754
190: ok 755
190: ok 756
190: ok 757
190: ok 758
190: ok 759
190: ok 760
190: ok 761
190: ok 762
190: ok 763
190: ok 764
190: ok 765
190: ok 766
190: ok 767
190: ok 768
190: ok 769
190: ok 770
190: ok 771
190: ok 772
190: ok 773
190: ok 774
190: ok 775
190: ok 776
190: ok 777
190: ok 778
190: ok 779
190: ok 780
190: ok 781
190: ok 782
190: ok 783
190: ok 784
190: ok 785
190: ok 786
190: ok 787
190: ok 788
190: ok 789
190: ok 790
190: ok 791
190: ok 792
190: ok 793
190: ok 794
190: ok 795
190: ok 796
190: ok 797
190: ok 798
190: ok 799
190: ok 800
190: ok 801
190: ok 802
190: ok 803
190: ok 804
190: ok 805
190: ok 806
190: ok 807
190: ok 808
190: ok 809
190: ok 810
190: ok 811
190: ok 812
190: ok 813
190: ok 814
190: ok 815
190: ok 816
190: ok 817
190: ok 818
190: ok 819
190: ok 820
190: ok 821
190: ok 822
190: ok 823
190: ok 824
190: ok 825
190: ok 826
190: ok 827
190: ok 828
190: ok 829
190: ok 830
190: ok 831
190: ok 832
190: ok 833
190: ok 834
190: ok 835
190: ok 836
190: ok 837
190: ok 838
190: ok 839
190: ok 840
190: ok 841
190: ok 842
190: ok 843
190: ok 844
190: ok 845
190: ok 846
190: ok 847
190: ok 848
190: ok 849
190: ok 850
190: ok 851
190: ok 852
190: ok 853
190: ok 854
190: ok 855
190: ok 856
190: ok 857
190: ok 858
190: ok 859
190: ok 860
190: ok 861
190: ok 862
190: ok 863
190: ok 864
190: ok 865
190: ok 866
190: ok 867
190: ok 868
190: ok 869
190: ok 870
190: ok 871
190: ok 872
190: ok 873
190: ok 874
190: ok 875
190: ok 876
190: ok 877
190: ok 878
190: ok 879
190: ok 880
190: ok 881
190: ok 882
190: ok 883
190: ok 884
190: ok 885
190: ok 886
190: ok 887
190: ok 888
190: ok 889
190: ok 890
190: ok 891
190: ok 892
190: ok 893
190: ok 894
190: ok 895
190: ok 896
190: ok 897
190: ok 898
190: ok 899
190: ok 900
190: ok 901
190: ok 902
190: ok 903
190: ok 904
190: ok 905
190: ok 906
190: ok 907
190: ok 908
190: ok 909
190: ok 910
190: ok 911
190: ok 912
190: ok 913
190: ok 914
190: ok 915
190: ok 916
190: ok 917
190: ok 918
190: ok 919
190: ok 920
190: ok 921
190: ok 922
190: ok 923
190: ok 924
190: ok 925
190: ok 926
190: ok 927
190: ok 928
190: ok 929
190: ok 930
190: ok 931
190: ok 932
190: ok 933
190: ok 934
190: ok 935
190: ok 936
190: ok 937
190: ok 938
190: ok 939
190: ok 940
190: ok 941
190: ok 942
190: ok 943
190: ok 944
190: ok 945
190: ok 946
190: ok 947
190: ok 948
190: ok 949
190: ok 950
190: ok 951
190: ok 952
190: ok 953
190: ok 954
190: ok 955
190: ok 956
190: ok 957
190: ok 958
190: ok 959
190: ok 960
190: ok 961
190: ok 962
190: ok 963
190: ok 964
190: ok 965
190: ok 966
190: ok 967
190: ok 968
190: ok 969
190: ok 970
190: ok 971
190: ok 972
190: ok 973
190: ok 974
190: ok 975
190: ok 976
190: ok 977
190: ok 978
190: ok 979
190: ok 980
190: ok 981
190: ok 982
190: ok 983
190: ok 984
190: ok 985
190: ok 986
190: ok 987
190: ok 988
190: ok 989
190: ok 990
190: ok 991
190: ok 992
190: ok 993
190: ok 994
190: ok 995
190: ok 996
190: ok 997
190: ok 998
190: ok 999
190: ok 1000
190: ok 1001
190: ok 1002
190: ok 1003
190: ok 1004
190: ok 1005
190: ok 1006
190: ok 1007
190: ok 1008
190: ok 1009
190: ok 1010
190: ok 1011
190: ok 1012
190: ok 1013
190: ok 1014
190: ok 1015
190: ok 1016
190: ok 1017
190: ok 1018
190: ok 1019
190: ok 1020
190: ok 1021
190: ok 1022
190: ok 1023
190: ok 1024
190: ok 1025
190: ok 1026
190: ok 1027
190: ok 1028
190: ok 1029
190: ok 1030
190: ok 1031
190: ok 1032
190: ok 1033
190: ok 1034
190: ok 1035
190: ok 1036
190: ok 1037
190: ok 1038
190: ok 1039
190: ok 1040
190: ok 1041
190: ok 1042
190: ok 1043
190: ok 1044
190: ok 1045
190: ok 1046
190: ok 1047
190: ok 1048
190: ok 1049
190: ok 1050
190: ok 1051
190: ok 1052
190: ok 1053
190: ok 1054
190: ok 1055
190: ok 1056
190: ok 1057
190: ok 1058
190: ok 1059
190: ok 1060
190: ok 1061
190: ok 1062
190: ok 1063
190: ok 1064
190: ok 1065
190: ok 1066
190: ok 1067
190: ok 1068
190: ok 1069
190: ok 1070
190: ok 1071
190: ok 1072
190: ok 1073
190: ok 1074
190: ok 1075
190: ok 1076
190: ok 1077
190: ok 1078
190: ok 1079
190: ok 1080
190: ok 1081
190: ok 1082
190: ok 1083
190: ok 1084
190: ok 1085
190: ok 1086
190: ok 1087
190: ok 1088
190: ok 1089
190: ok 1090
190: ok 1091
190: ok 1092
190: ok 1093
190: ok 1094
190: ok 1095
190: ok 1096
190: ok 1097
190: ok 1098
190: ok 1099
190: ok 1100
190: ok 1101
190: ok 1102
190: ok 1103
190: ok 1104
190: ok 1105
190: ok 1106
190: ok 1107
190: ok 1108
190: ok 1109
190: ok 1110
190: ok 1111
190: ok 1112
190: ok 1113
190: ok 1114
190: ok 1115
190: ok 1116
190: ok 1117
190: ok 1118
190: ok 1119
190: ok 1120
190: ok 1121
190: ok 1122
190: ok 1123
190: ok 1124
190: ok 1125
190: ok 1126
190: ok 1127
190: ok 1128
190: ok 1129
190: ok 1130
190: ok 1131
190: ok 1132
190: ok 1133
190: ok 1134
190: ok 1135
190: ok 1136
190: ok 1137
190: ok 1138
190: ok 1139
190: ok 1140
190: ok 1141
190: ok 1142
190: ok 1143
190: ok 1144
190: ok 1145
190: ok 1146
190: ok 1147
190: ok 1148
190: ok 1149
190: ok 1150
190: ok 1151
190: ok 1152
190: ok 1153
190: ok 1154
190: ok 1155
190: ok 1156
190: ok 1157
190: ok 1158
190: ok 1159
190: ok 1160
190: ok 1161
190: ok 1162
190: ok 1163
190: ok 1164
190: ok 1165
190: ok 1166
190: ok 1167
190: ok 1168
190: ok 1169
190: ok 1170
190: ok 1171
190: ok 1172
190: ok 1173
190: ok 1174
190: ok 1175
190: ok 1176
190: ok 1177
190: ok 1178
190: ok 1179
190: ok 1180
190: ok 1181
190: ok 1182
190: ok 1183
190: ok 1184
190: ok 1185
190: ok 1186
190: ok 1187
190: ok 1188
190: ok 1189
190: ok 1190
190: ok 1191
190: ok 1192
190: ok 1193
190: ok 1194
190: ok 1195
190: ok 1196
190: ok 1197
190: ok 1198
190: ok 1199
190: ok 1200
190: ok 1201
190: ok 1202
190: ok 1203
190: ok 1204
190: ok 1205
190: ok 1206
190: ok 1207
190: ok 1208
190: ok 1209
190: ok 1210
190: ok 1211
190: ok 1212
190: ok 1213
190: ok 1214
190: ok 1215
190: ok 1216
190: ok 1217
190: ok 1218
190: ok 1219
190: ok 1220
190: ok 1221
190: ok 1222
190: ok 1223
190: ok 1224
190: ok 1225
190: ok 1226
190: ok 1227
190: ok 1228
190: ok 1229
190: ok 1230
190: ok 1231
190: ok 1232
190: ok 1233
190: ok 1234
190: ok 1235
190: ok 1236
190: ok 1237
190: ok 1238
190: ok 1239
190: ok 1240
190: ok 1241
190: ok 1242
190: ok 1243
190: ok 1244
190: ok 1245
190: ok 1246
190: ok 1247
190: ok 1248
190: ok 1249
190: ok 1250
190: ok 1251
190: ok 1252
190: ok 1253
190: ok 1254
190: ok 1255
190: ok 1256
190: ok 1257
190: ok 1258
190: ok 1259
190: ok 1260
190: ok 1261
190: ok 1262
190: ok 1263
190: ok 1264
190: ok 1265
190: ok 1266
190: ok 1267
190: ok 1268
190: ok 1269
190: ok 1270
190: ok 1271
190: ok 1272
190: ok 1273
190: ok 1274
190: ok 1275
190: ok 1276
190: ok 1277
190: ok 1278
190: ok 1279
190: ok 1280
190: ok 1281
190: ok 1282
190: ok 1283
190: ok 1284
190: ok 1285
190: ok 1286
190: ok 1287
190: ok 1288
190: ok 1289
190: ok 1290
190: ok 1291
190: ok 1292
190: ok 1293
190: ok 1294
190: ok 1295
190: ok 1296
190: ok 1297
190: ok 1298
190: ok 1299
190: ok 1300
190: ok 1301
190: ok 1302
190: ok 1303
190: ok 1304
190: ok 1305
190: ok 1306
190: ok 1307
190: ok 1308
190: ok 1309
190: ok 1310
190: ok 1311
190: ok 1312
190: ok 1313
190: ok 1314
190: ok 1315
190: ok 1316
190: ok 1317
190: ok 1318
190: ok 1319
190: ok 1320
190: ok 1321
190: ok 1322
190: ok 1323
190: ok 1324
190: ok 1325
190: ok 1326
190: ok 1327
190: ok 1328
190: ok 1329
190: ok 1330
190: ok 1331
190: ok 1332
190: ok 1333
190: ok 1334
190: ok 1335
190: ok 1336
190: ok 1337
190: ok 1338
190: ok 1339
190: ok 1340
190: ok 1341
190: ok 1342
190: ok 1343
190: ok 1344
190: ok 1345
190: ok 1346
190: ok 1347
190: ok 1348
190: ok 1349
190: ok 1350
190: ok 1351
190: ok 1352
190: ok 1353
190: ok 1354
190: ok 1355
190: ok 1356
190: ok 1357
190: ok 1358
190: ok 1359
190: ok 1360
190: ok 1361
190: ok 1362
190: ok 1363
190: ok 1364
190: ok 1365
190: ok 1366
190: ok 1367
190: ok 1368
190: ok 1369
190: ok 1370
190: ok 1371
190: ok 1372
190: ok 1373
190: ok 1374
190: ok 1375
190: ok 1376
190: ok 1377
190: ok 1378
190: ok 1379
190: ok 1380
190: ok 1381
190: ok 1382
190: ok 1383
190: ok 1384
190: ok 1385
190: ok 1386
190: ok 1387
190: ok 1388
190: ok 1389
190: ok 1390
190: ok 1391
190: ok 1392
190: ok 1393
190: ok 1394
190: ok 1395
190: ok 1396
190: ok 1397
190: ok 1398
190: ok 1399
190: ok 1400
190: ok 1401
190: ok 1402
190: ok 1403
190: ok 1404
190: ok 1405
190: ok 1406
190: ok 1407
190: ok 1408
190: ok 1409
190: ok 1410
190: ok 1411
190: ok 1412
190: ok 1413
190: ok 1414
190: ok 1415
190: ok 1416
190: ok 1417
190: ok 1418
190: ok 1419
190: ok 1420
190: ok 1421
190: ok 1422
190: ok 1423
190: ok 1424
190: ok 1425
190: ok 1426
190: ok 1427
190: ok 1428
190: ok 1429
190: ok 1430
190: ok 1431
190: ok 1432
190: ok 1433
190: ok 1434
190: ok 1435
190: ok 1436
190: ok 1437
190: ok 1438
190: ok 1439
190: ok 1440
190: ok 1441
190: ok 1442
190: ok 1443
190: ok 1444
190: ok 1445
190: ok 1446
190: ok 1447
190: ok 1448
190: ok 1449
190: ok 1450
190: ok 1451
190: ok 1452
190: ok 1453
190: ok 1454
190: ok 1455
190: ok 1456
190: ok 1457
190: ok 1458
190: ok 1459
190: ok 1460
190: ok 1461
190: ok 1462
190: ok 1463
190: ok 1464
190: ok 1465
190: ok 1466
190: ok 1467
190: ok 1468
190: ok 1469
190: ok 1470
190: ok 1471
190: ok 1472
190: ok 1473
190: ok 1474
190: ok 1475
190: ok 1476
190: ok 1477
190: ok 1478
190: ok 1479
190: ok 1480
190: ok 1481
190: ok 1482
190: ok 1483
190: ok 1484
190: ok 1485
190: ok 1486
190: ok 1487
190: ok 1488
190: ok 1489
190: ok 1490
190: ok 1491
190: ok 1492
190: ok 1493
190: ok 1494
190: ok 1495
190: ok 1496
190: ok 1497
190: ok 1498
190: ok 1499
190: ok 1500
190: ok 1501
190: ok 1502
190: ok 1503
190: ok 1504
190: ok 1505
190: ok 1506
190: ok 1507
190: ok 1508
190: ok 1509
190: ok 1510
190: ok 1511
190: ok 1512
190: ok 1513
190: ok 1514
190: ok 1515
190: ok 1516
190: ok 1517
190: ok 1518
190: ok 1519
190: ok 1520
190: ok 1521
190: ok 1522
190: ok 1523
190: ok 1524
190: ok 1525
190: ok 1526
190: ok 1527
190: ok 1528
190: ok 1529
190: ok 1530
190: ok 1531
190: ok 1532
190: ok 1533
190: ok 1534
190: ok 1535
190: ok 1536
190: ok 1537
190: ok 1538
190: ok 1539
190: ok 1540
190: ok 1541
190: ok 1542
190: ok 1543
190: ok 1544
190: ok 1545
190: ok 1546
190: ok 1547
190: ok 1548
190: ok 1549
190: ok 1550
190: ok 1551
190: ok 1552
190: ok 1553
190: ok 1554
190: ok 1555
190: ok 1556
190: ok 1557
190: ok 1558
190: ok 1559
190: ok 1560
190: ok 1561
190: ok 1562
190: ok 1563
190: ok 1564
190: ok 1565
190: ok 1566
190: ok 1567
190: ok 1568
190: ok 1569
190: ok 1570
190: ok 1571
190: ok 1572
190: ok 1573
190: ok 1574
190: ok 1575
190: ok 1576
190: ok 1577
190: ok 1578
190: ok 1579
190: ok 1580
190: ok 1581
190: ok 1582
190: ok 1583
190: ok 1584
190: ok 1585
190: ok 1586
190: ok 1587
190: ok 1588
190: ok 1589
190: ok 1590
190: ok 1591
190: ok 1592
190: ok 1593
190: ok 1594
190: ok 1595
190: ok 1596
190: ok 1597
190: ok 1598
190: ok 1599
190: ok 1600
190: ok 1601
190: ok 1602
190: ok 1603
190: ok 1604
190: ok 1605
190: ok 1606
190: ok 1607
190: ok 1608
190: ok 1609
190: ok 1610
190: ok 1611
190: ok 1612
190: ok 1613
190: ok 1614
190: ok 1615
190: ok 1616
190: ok 1617
190: ok 1618
190: ok 1619
190: ok 1620
190: ok 1621
190: ok 1622
190: ok 1623
190: ok 1624
190: ok 1625
190: ok 1626
190: ok 1627
190: ok 1628
190: ok 1629
190: ok 1630
190: ok 1631
190: ok 1632
190: ok 1633
190: ok 1634
190: ok 1635
190: ok 1636
190: ok 1637
190: ok 1638
190: ok 1639
190: ok 1640
190: ok 1641
190: ok 1642
190: ok 1643
190: ok 1644
190: ok 1645
190: ok 1646
190: ok 1647
190: ok 1648
190: ok 1649
190: ok 1650
190: ok 1651
190: ok 1652
190: ok 1653
190: ok 1654
190: ok 1655
190: ok 1656
190: ok 1657
190: ok 1658
190: ok 1659
190: ok 1660
190: ok 1661
190: ok 1662
190: ok 1663
190: ok 1664
190: ok 1665
190: ok 1666
190: ok 1667
190: ok 1668
190: ok 1669
190: ok 1670
190: ok 1671
190: ok 1672
190: ok 1673
190: ok 1674
190: ok 1675
190: ok 1676
190: ok 1677
190: ok 1678
190: ok 1679
190: ok 1680
190: ok 1681
190: ok 1682
190: ok 1683
190: ok 1684
190: ok 1685
190: ok 1686
190: ok 1687
190: ok 1688
190: ok 1689
190: ok 1690
190: ok 1691
190: ok 1692
190: ok 1693
190: ok 1694
190: ok 1695
190: ok 1696
190: ok 1697
190: ok 1698
190: ok 1699
190: ok 1700
190: ok 1701
190: ok 1702
190: ok 1703
190: ok 1704
190: ok 1705
190: ok 1706
190: ok 1707
190: ok 1708
190: ok 1709
190: ok 1710
190: ok 1711
190: ok 1712
190: ok 1713
190: ok 1714
190: ok 1715
190: ok 1716
190: ok 1717
190: ok 1718
190: ok 1719
190: ok 1720
190: ok 1721
190: ok 1722
190: ok 1723
190: ok 1724
190: ok 1725
190: ok 1726
190: ok 1727
190: ok 1728
190: ok 1729
190: ok 1730
190: ok 1731
190: ok 1732
190: ok 1733
190: ok 1734
190: ok 1735
190: ok 1736
190: ok 1737
190: ok 1738
190: ok 1739
190: ok 1740
190: ok 1741
190: ok 1742
190: ok 1743
190: ok 1744
190: ok 1745
190: ok 1746
190: ok 1747
190: ok 1748
190: ok 1749
190: ok 1750
190: ok 1751
190: ok 1752
190: ok 1753
190: ok 1754
190: ok 1755
190: ok 1756
190: ok 1757
190: ok 1758
190: ok 1759
190: ok 1760
190: ok 1761
190: ok 1762
190: ok 1763
190: ok 1764
190: ok 1765
190: ok 1766
190: ok 1767
190: ok 1768
190: ok 1769
190: ok 1770
190: ok 1771
190: ok 1772
190: ok 1773
190: ok 1774
190: ok 1775
190: ok 1776
190: ok 1777
190: ok 1778
190: ok 1779
190: ok 1780
190: ok 1781
190: ok 1782
190: ok 1783
190: ok 1784
190: ok 1785
190: ok 1786
190: ok 1787
190: ok 1788
190: ok 1789
190: ok 1790
190: ok 1791
190: ok 1792
190: ok 1793
190: ok 1794
190: ok 1795
190: ok 1796
190: ok 1797
190: ok 1798
190: ok 1799
190: ok 1800
190: ok 1801
190: ok 1802
190: ok 1803
190: ok 1804
190: ok 1805
190: ok 1806
190: ok 1807
190: ok 1808
190: ok 1809
190: ok 1810
190: ok 1811
190: ok 1812
190: ok 1813
190: ok 1814
190: ok 1815
190: ok 1816
190: ok 1817
190: ok 1818
190: ok 1819
190: ok 1820
190: ok 1821
190: ok 1822
190: ok 1823
190: ok 1824
190: ok 1825
190: ok 1826
190: ok 1827
190: ok 1828
190: ok 1829
190: ok 1830
190: ok 1831
190: ok 1832
190: ok 1833
190: ok 1834
190: ok 1835
190: ok 1836
190: ok 1837
190: ok 1838
190: ok 1839
190: ok 1840
190: ok 1841
190: ok 1842
190: ok 1843
190: ok 1844
190: ok 1845
190: ok 1846
190: ok 1847
190: ok 1848
190: ok 1849
190: ok 1850
190: ok 1851
190: ok 1852
190: ok 1853
190: ok 1854
190: ok 1855
190: ok 1856
190: ok 1857
190: ok 1858
190: ok 1859
190: ok 1860
190: ok 1861
190: ok 1862
190: ok 1863
190: ok 1864
190: ok 1865
190: ok 1866
190: ok 1867
190: ok 1868
190: ok 1869
190: ok 1870
190: ok 1871
190: ok 1872
190: ok 1873
190: ok 1874
190: ok 1875
190: ok 1876
190: ok 1877
190: ok 1878
190: ok 1879
190: ok 1880
190: ok 1881
190: ok 1882
190: ok 1883
190: ok 1884
190: ok 1885
190: ok 1886
190: ok 1887
190: ok 1888
190: ok 1889
190: ok 1890
190: ok 1891
190: ok 1892
190: ok 1893
190: ok 1894
190: ok 1895
190: ok 1896
190: ok 1897
190: ok 1898
190: ok 1899
190: ok 1900
190: ok 1901
190: ok 1902
190: ok 1903
190: ok 1904
190: ok 1905
190: ok 1906
190: ok 1907
190: ok 1908
190: ok 1909
190: ok 1910
190: ok 1911
190: ok 1912
190: ok 1913
190: ok 1914
190: ok 1915
190: ok 1916
190: ok 1917
190: ok 1918
190: ok 1919
190: ok 1920
190: ok 1921
190: ok 1922
190: ok 1923
190: ok 1924
190: ok 1925
190: ok 1926
190: ok 1927
190: ok 1928
190: ok 1929
190: ok 1930
190: ok 1931
190: ok 1932
190: ok 1933
190: ok 1934
190: ok 1935
190: ok 1936
190: ok 1937
190: ok 1938
190: ok 1939
190: ok 1940
190: ok 1941
190: ok 1942
190: ok 1943
190: ok 1944
190: ok 1945
190: ok 1946
190: ok 1947
190: ok 1948
190: ok 1949
190: ok 1950
190: ok 1951
190: ok 1952
190: ok 1953
190: ok 1954
190: ok 1955
190: ok 1956
190: ok 1957
190: ok 1958
190: ok 1959
190: ok 1960
190: ok 1961
190: ok 1962
190: ok 1963
190: ok 1964
190: ok 1965
190: ok 1966
190: ok 1967
190: ok 1968
190: ok 1969
190: ok 1970
190: ok 1971
190: ok 1972
190: ok 1973
190: ok 1974
190: ok 1975
190: ok 1976
190: ok 1977
190: ok 1978
190: ok 1979
190: ok 1980
190: ok 1981
190: ok 1982
190: ok 1983
190: ok 1984
190: ok 1985
190: ok 1986
190: ok 1987
190: ok 1988
190: ok 1989
190: ok 1990
190: ok 1991
190: ok 1992
190: ok 1993
190: ok 1994
190: ok 1995
190: ok 1996
190: ok 1997
190: ok 1998
190: ok 1999
190: ok 2000
190: ok 2001
190: ok 2002
190: ok 2003
190: ok 2004
190: ok 2005
190: ok 2006
190: ok 2007
190: ok 2008
190: ok 2009
190: ok 2010
190: ok 2011
190: ok 2012
190: ok 2013
190: ok 2014
190: ok 2015
190: ok 2016
190: ok 2017
190: ok 2018
190: ok 2019
190: ok 2020
190: ok 2021
190: ok 2022
190: ok 2023
190: ok 2024
190: ok 2025
190: ok 2026
190: ok 2027
190: ok 2028
190: ok 2029
190: ok 2030
190: ok 2031
190: ok 2032
190: ok 2033
190: ok 2034
190: ok 2035
190: ok 2036
190: ok 2037
190: ok 2038
190: ok 2039
190: ok 2040
190: ok 2041
190: ok 2042
190: ok 2043
190: ok 2044
190: ok 2045
190: ok 2046
190: ok 2047
190: ok 2048
190: ok 2049
190: ok 2050
190: ok 2051
190: ok 2052
190: ok 2053
190: ok 2054
190: ok 2055
190: ok 2056
190: ok 2057
190: ok 2058
190: ok 2059
190: ok 2060
190: ok 2061
190: ok 2062
190: ok 2063
190: ok 2064
190: ok 2065
190: ok 2066
190: ok 2067
190: ok 2068
190: ok 2069
190: ok 2070
190: ok 2071
190: ok 2072
190: ok 2073
190: ok 2074
190: ok 2075
190: ok 2076
190: ok 2077
190: ok 2078
190: ok 2079
190: ok 2080
190: ok 2081
190: ok 2082
190: ok 2083
190: ok 2084
190: ok 2085
190: ok 2086
190: ok 2087
190: ok 2088
190: ok 2089
190: ok 2090
190: ok 2091
190: ok 2092
190: ok 2093
190: ok 2094
190: ok 2095
190: ok 2096
190: ok 2097
190: ok 2098
190: ok 2099
190: ok 2100
190: ok 2101
190: ok 2102
190: ok 2103
190: ok 2104
190: ok 2105
190: ok 2106
190: ok 2107
190: ok 2108
190: ok 2109
190: ok 2110
190: ok 2111
190: ok 2112
190: ok 2113
190: ok 2114
190: ok 2115
190: ok 2116
190: ok 2117
190: ok 2118
190: ok 2119
190: ok 2120
190: ok 2121
190: ok 2122
190: ok 2123
190: ok 2124
190: ok 2125
190: ok 2126
190: ok 2127
190: ok 2128
190: ok 2129
190: ok 2130
190: ok 2131
190: ok 2132
190: ok 2133
190: ok 2134
190: ok 2135
190: ok 2136
190: ok 2137
190: ok 2138
190: ok 2139
190: ok 2140
190: ok 2141
190: ok 2142
190: ok 2143
190: ok 2144
190: ok 2145
190: ok 2146
190: ok 2147
190: ok 2148
190: ok 2149
190: ok 2150
190: ok 2151
190: ok 2152
190: ok 2153
190: ok 2154
190: ok 2155
190: ok 2156
190: ok 2157
190: ok 2158
190: ok 2159
190: ok 2160
190: ok 2161
190: ok 2162
190: ok 2163
190: ok 2164
190: ok 2165
190: ok 2166
190: ok 2167
190: ok 2168
190: ok 2169
190: ok 2170
190: ok 2171
190: ok 2172
190: ok 2173
190: ok 2174
190: ok 2175
190: ok 2176
190: ok 2177
190: ok 2178
190: ok 2179
190: ok 2180
190: ok 2181
190: ok 2182
190: ok 2183
190: ok 2184
190: ok 2185
190: ok 2186
190: ok 2187
190: ok 2188
190: ok 2189
190: ok 2190
190: ok 2191
190: ok 2192
190: ok 2193
190: ok 2194
190: ok 2195
190: ok 2196
190: ok 2197
190: ok 2198
190: ok 2199
190: ok 2200
190: ok 2201
190: ok 2202
190: ok 2203
190: ok 2204
190: ok 2205
190: ok 2206
190: ok 2207
190: ok 2208
190: ok 2209
190: ok 2210
190: ok 2211
190: ok 2212
190: ok 2213
190: ok 2214
190: ok 2215
190: ok 2216
190: ok 2217
190: ok 2218
190: ok 2219
190: ok 2220
190: ok 2221
190: ok 2222
190: ok 2223
190: ok 2224
190: ok 2225
190: ok 2226
190: ok 2227
190: ok 2228
190: ok 2229
190: ok 2230
190: ok 2231
190: ok 2232
190: ok 2233
190: ok 2234
190: ok 2235
190: ok 2236
190: ok 2237
190: ok 2238
190: ok 2239
190: ok 2240
190: ok 2241
190: ok 2242
190: ok 2243
190: ok 2244
190: ok 2245
190: ok 2246
190: ok 2247
190: ok 2248
190: ok 2249
190: ok 2250
190: ok 2251
190: ok 2252
190: ok 2253
190: ok 2254
190: ok 2255
190: ok 2256
190: ok 2257
190: ok 2258
190: ok 2259
190: ok 2260
190: ok 2261
190: ok 2262
190: ok 2263
190: ok 2264
190: ok 2265
190: ok 2266
190: ok 2267
190: ok 2268
190: ok 2269
190: ok 2270
190: ok 2271
190: ok 2272
190: ok 2273
190: ok 2274
190: ok 2275
190: ok 2276
190: ok 2277
190: ok 2278
190: ok 2279
190: ok 2280
190: ok 2281
190: ok 2282
190: ok 2283
190: ok 2284
190: ok 2285
190: ok 2286
190: ok 2287
190: ok 2288
190: ok 2289
190: ok 2290
190: ok 2291
190: ok 2292
190: ok 2293
190: ok 2294
190: ok 2295
190: ok 2296
190: ok 2297
190: ok 2298
190: ok 2299
190: ok 2300
190: ok 2301
190: ok 2302
190: ok 2303
190: ok 2304
190: ok 2305
190: ok 2306
190: ok 2307
190: ok 2308
190: ok 2309
190: ok 2310
190: ok 2311
190: ok 2312
190: ok 2313
190: ok 2314
190: ok 2315
190: ok 2316
190: ok 2317
190: ok 2318
190: ok 2319
190: ok 2320
190: ok 2321
190: ok 2322
190: ok 2323
190: ok 2324
190: ok 2325
190: ok 2326
190: ok 2327
190: ok 2328
190: ok 2329
190: ok 2330
190: ok 2331
190: ok 2332
190: ok 2333
190: ok 2334
190: ok 2335
190: ok 2336
190: ok 2337
190: ok 2338
190: ok 2339
190: ok 2340
190: ok 2341
190: ok 2342
190: ok 2343
190: ok 2344
190: ok 2345
190: ok 2346
190: ok 2347
190: ok 2348
190: ok 2349
190: ok 2350
190: ok 2351
190: ok 2352
190: ok 2353
190: ok 2354
190: ok 2355
190: ok 2356
190: ok 2357
190: ok 2358
190: ok 2359
190: ok 2360
190: ok 2361
190: ok 2362
190: ok 2363
190: ok 2364
190: ok 2365
190: ok 2366
190: ok 2367
190: ok 2368
190: ok 2369
190: ok 2370
190: ok 2371
190: ok 2372
190: ok 2373
190: ok 2374
190: ok 2375
190: ok 2376
190: ok 2377
190: ok 2378
190: ok 2379
190: ok 2380
190: ok 2381
190: ok 2382
190: ok 2383
190: ok 2384
190: ok 2385
190: ok 2386
190: ok 2387
190: ok 2388
190: ok 2389
190: ok 2390
190: ok 2391
190: ok 2392
190: ok 2393
190: ok 2394
190: ok 2395
190: ok 2396
190: ok 2397
190: ok 2398
190: ok 2399
190: ok 2400
190: ok 2401
190: ok 2402
190: ok 2403
190: ok 2404
190: ok 2405
190: ok 2406
190: ok 2407
190: ok 2408
190: ok 2409
190: ok 2410
190: ok 2411
190: ok 2412
190: ok 2413
190: ok 2414
190: ok 2415
190: ok 2416
190: ok 2417
190: ok 2418
190: ok 2419
190: ok 2420
190: ok 2421
190: ok 2422
190: ok 2423
190: ok 2424
190: ok 2425
190: ok 2426
190: ok 2427
190: ok 2428
190: ok 2429
190: ok 2430
190: ok 2431
190: ok 2432
190: ok 2433
190: ok 2434
190: ok 2435
190: ok 2436
190: ok 2437
190: ok 2438
190: ok 2439
190: ok 2440
190: ok 2441
190: ok 2442
190: ok 2443
190: ok 2444
190: ok 2445
190: ok 2446
190: ok 2447
190: ok 2448
190: ok 2449
190: ok 2450
190: ok 2451
190: ok 2452
190: ok 2453
190: ok 2454
190: ok 2455
190: ok 2456
190: ok 2457
190: ok 2458
190: ok 2459
190: ok 2460
190: ok 2461
190: ok 2462
190: ok 2463
190: ok 2464
190: ok 2465
190: ok 2466
190: ok 2467
190: ok 2468
190: ok 2469
190: ok 2470
190: ok 2471
190: ok 2472
190: ok 2473
190: ok 2474
190: ok 2475
190: ok 2476
190: ok 2477
190: ok 2478
190: ok 2479
190: ok 2480
190: ok 2481
190: ok 2482
190: ok 2483
190: ok 2484
190: ok 2485
190: ok 2486
190: ok 2487
190: ok 2488
190: ok 2489
190: ok 2490
190: ok 2491
190: ok 2492
190: ok 2493
190: ok 2494
190: ok 2495
190: ok 2496
190: ok 2497
190: ok 2498
190: ok 2499
190: ok 2500
190: ok 2501
190: ok 2502
190: ok 2503
190: ok 2504
190: ok 2505
190: ok 2506
190: ok 2507
190: ok 2508
190: ok 2509
190: ok 2510
190: ok 2511
190: ok 2512
190: ok 2513
190: ok 2514
190: ok 2515
190: ok 2516
190: ok 2517
190: ok 2518
190: ok 2519
190: ok 2520
190: ok 2521
190: ok 2522
190: ok 2523
190: ok 2524
190: ok 2525
190: ok 2526
190: ok 2527
190: ok 2528
190: ok 2529
190: ok 2530
190: ok 2531
190: ok 2532
190: ok 2533
190: ok 2534
190: ok 2535
190: ok 2536
190: ok 2537
190: ok 2538
190: ok 2539
190: ok 2540
190: ok 2541
190: ok 2542
190: ok 2543
190: ok 2544
190: ok 2545
190: ok 2546
190: ok 2547
190: ok 2548
190: ok 2549
190: ok 2550
190: ok 2551
190: ok 2552
190: ok 2553
190: ok 2554
190: ok 2555
190: ok 2556
190: ok 2557
190: ok 2558
190: ok 2559
190: ok 2560
190: ok 2561
190: ok 2562
190: ok 2563
190: ok 2564
190: ok 2565
190: ok 2566
190: ok 2567
190: ok 2568
190: ok 2569
190: ok 2570
190: ok 2571
190: ok 2572
190: ok 2573
190: ok 2574
190: ok 2575
190: ok 2576
190: ok 2577
190: ok 2578
190: ok 2579
190: ok 2580
190: ok 2581
190: ok 2582
190: ok 2583
190: ok 2584
190: ok 2585
190: ok 2586
190: ok 2587
190: ok 2588
190: ok 2589
190: ok 2590
190: ok 2591
190: ok 2592
190: ok 2593
190: ok 2594
190: ok 2595
190: ok 2596
190: ok 2597
190: ok 2598
190: ok 2599
190: ok 2600
190: ok 2601
190: ok 2602
190: ok 2603
190: ok 2604
190: ok 2605
190: ok 2606
190: ok 2607
190: ok 2608
190: ok 2609
190: ok 2610
190: ok 2611
190: ok 2612
190: ok 2613
190: ok 2614
190: ok 2615
190: ok 2616
190: ok 2617
190: ok 2618
190: ok 2619
190: ok 2620
190: ok 2621
190: ok 2622
190: ok 2623
190: ok 2624
190: ok 2625
190: ok 2626
190: ok 2627
190: ok 2628
190: ok 2629
190: ok 2630
190: ok 2631
190: ok 2632
190: ok 2633
190: ok 2634
190: ok 2635
190: ok 2636
190: ok 2637
190: ok 2638
190: ok 2639
190: ok 2640
190: ok 2641
190: ok 2642
190: ok 2643
190: ok 2644
190: ok 2645
190: ok 2646
190: ok 2647
190: ok 2648
190: ok 2649
190: ok 2650
190: ok 2651
190: ok 2652
190: ok 2653
190: ok 2654
190: ok 2655
190: ok 2656
190: ok 2657
190: ok 2658
190: ok 2659
190: ok 2660
190: ok 2661
190: ok 2662
190: ok 2663
190: ok 2664
190: ok 2665
190: ok 2666
190: ok 2667
190: ok 2668
190: ok 2669
190: ok 2670
190: ok 2671
190: ok 2672
190: ok 2673
190: ok 2674
190: ok 2675
190: ok 2676
190: ok 2677
190: ok 2678
190: ok 2679
190: ok 2680
190: ok 2681
190: ok 2682
190: ok 2683
190: ok 2684
190: ok 2685
190: ok 2686
190: ok 2687
190: ok 2688
190: ok 2689
190: ok 2690
190: ok 2691
190: ok 2692
190: ok 2693
190: ok 2694
190: ok 2695
190: ok 2696
190: ok 2697
190: ok 2698
190: ok 2699
190: ok 2700
190: ok 2701
190: ok 2702
190: ok 2703
190: ok 2704
190: ok 2705
190: ok 2706
190: ok 2707
190: ok 2708
190: ok 2709
190: ok 2710
190: ok 2711
190: ok 2712
190: ok 2713
190: ok 2714
190: ok 2715
190: ok 2716
190: ok 2717
190: ok 2718
190: ok 2719
190: ok 2720
190: ok 2721
190: ok 2722
190: ok 2723
190: ok 2724
190: ok 2725
190: ok 2726
190: ok 2727
190: ok 2728
190: ok 2729
190: ok 2730
190: ok 2731
190: ok 2732
190: ok 2733
190: ok 2734
190: ok 2735
190: ok 2736
190: ok 2737
190: ok 2738
190: ok 2739
190: ok 2740
190: ok 2741
190: ok 2742
190: ok 2743
190: ok 2744
190: ok 2745
190: ok 2746
190: ok 2747
190: ok 2748
190: ok 2749
190: ok 2750
190: ok 2751
190: ok 2752
190: ok 2753
190: ok 2754
190: ok 2755
190: ok 2756
190: ok 2757
190: ok 2758
190: ok 2759
190: ok 2760
190: ok 2761
190: ok 2762
190: ok 2763
190: ok 2764
190: ok 2765
190: ok 2766
190: ok 2767
190: ok 2768
190: ok 2769
190: ok 2770
190: ok 2771
190: ok 2772
190: ok 2773
190: ok 2774
190: ok 2775
190: ok 2776
190: ok 2777
190: ok 2778
190: ok 2779
190: ok 2780
190: ok 2781
190: ok 2782
190: ok 2783
190: ok 2784
190: ok 2785
190: ok 2786
190: ok 2787
190: ok 2788
190: ok 2789
190: ok 2790
190: ok 2791
190: ok 2792
190: ok 2793
190: ok 2794
190: ok 2795
190: ok 2796
190: ok 2797
190: ok 2798
190: ok 2799
190: ok 2800
190: ok 2801
190: ok 2802
190: ok 2803
190: ok 2804
190: ok 2805
190: ok 2806
190: ok 2807
190: ok 2808
190: ok 2809
190: ok 2810
190: ok 2811
190: ok 2812
190: ok 2813
190: ok 2814
190: ok 2815
190: ok 2816
190: ok 2817
190: ok 2818
190: ok 2819
190: ok 2820
190: ok 2821
190: ok 2822
190: ok 2823
190: ok 2824
190: ok 2825
190: ok 2826
190: ok 2827
190: ok 2828
190: ok 2829
190: ok 2830
190: ok 2831
190: ok 2832
190: ok 2833
190: ok 2834
190: ok 2835
190: ok 2836
190: ok 2837
190: ok 2838
190: ok 2839
190: ok 2840
190: ok 2841
190: ok 2842
190: ok 2843
190: ok 2844
190: ok 2845
190: ok 2846
190: ok 2847
190: ok 2848
190: ok 2849
190: ok 2850
190: ok 2851
190: ok 2852
190: ok 2853
190: ok 2854
190: ok 2855
190: ok 2856
190: ok 2857
190: ok 2858
190: ok 2859
190: ok 2860
190: ok 2861
190: ok 2862
190: ok 2863
190: ok 2864
190: ok 2865
190: ok 2866
190: ok 2867
190: ok 2868
190: ok 2869
190: ok 2870
190: ok 2871
190: ok 2872
190: ok 2873
190: ok 2874
190: ok 2875
190: ok 2876
190: ok 2877
190: ok 2878
190: ok 2879
190: ok 2880
190: ok 2881
190: ok 2882
190: ok 2883
190: ok 2884
190: ok 2885
190: ok 2886
190: ok 2887
190: ok 2888
190: ok 2889
190: ok 2890
190: ok 2891
190: ok 2892
190: ok 2893
190: ok 2894
190: ok 2895
190: ok 2896
190: ok 2897
190: ok 2898
190: ok 2899
190: ok 2900
190: ok 2901
190: ok 2902
190: ok 2903
190: ok 2904
190: ok 2905
190: ok 2906
190: ok 2907
190: ok 2908
190: ok 2909
190: ok 2910
190: ok 2911
190: ok 2912
190: ok 2913
190: ok 2914
190: ok 2915
190: ok 2916
190: ok 2917
190: ok 2918
190: ok 2919
190: ok 2920
190: ok 2921
190: ok 2922
190: ok 2923
190: ok 2924
190: ok 2925
190: ok 2926
190: ok 2927
190: ok 2928
190: ok 2929
190: ok 2930
190: ok 2931
190: ok 2932
190: ok 2933
190: ok 2934
190: ok 2935
190: ok 2936
190: ok 2937
190: ok 2938
190: ok 2939
190: ok 2940
190: ok 2941
190: ok 2942
190: ok 2943
190: ok 2944
190: ok 2945
190: ok 2946
190: ok 2947
190: ok 2948
190: ok 2949
190: ok 2950
190: ok 2951
190: ok 2952
190: ok 2953
190: ok 2954
190: ok 2955
190: ok 2956
190: ok 2957
190: ok 2958
190: ok 2959
190: ok 2960
190: ok 2961
190: ok 2962
190: ok 2963
190: ok 2964
190: ok 2965
190: ok 2966
190: ok 2967
190: ok 2968
190: ok 2969
190: ok 2970
190: ok 2971
190: ok 2972
190: ok 2973
190: ok 2974
190: ok 2975
190: ok 2976
190: ok 2977
190: ok 2978
190: ok 2979
190: ok 2980
190: ok 2981
190: ok 2982
190: ok 2983
190: ok 2984
190: ok 2985
190: ok 2986
190: ok 2987
190: ok 2988
190: ok 2989
190: ok 2990
190: ok 2991
190: ok 2992
190: ok 2993
190: ok 2994
190: ok 2995
190: ok 2996
190: ok 2997
190: ok 2998
190: ok 2999
190: ok 3000
190: ok 3001
190: ok 3002
190: ok 3003
190: ok 3004
190: ok 3005
190: ok 3006
190: ok 3007
190: ok 3008
190: ok 3009
190: ok 3010
190: ok 3011
190: ok 3012
190: ok 3013
190: ok 3014
190: ok 3015
190: ok 3016
190: ok 3017
190: ok 3018
190: ok 3019
190: ok 3020
190: ok 3021
190: ok 3022
190: ok 3023
190: ok 3024
190: ok 3025
190: ok 3026
190: ok 3027
190: ok 3028
190: ok 3029
190: ok 3030
190: ok 3031
190: ok 3032
190: ok 3033
190: ok 3034
190: ok 3035
190: ok 3036
190: ok 3037
190: ok 3038
190: ok 3039
190: ok 3040
190: ok 3041
190: ok 3042
190: ok 3043
190: ok 3044
190: ok 3045
190: ok 3046
190: ok 3047
190: ok 3048
190: ok 3049
190: ok 3050
190: ok 3051
190: ok 3052
190: ok 3053
190: ok 3054
190: ok 3055
190: ok 3056
190: ok 3057
190: ok 3058
190: ok 3059
190: ok 3060
190: ok 3061
190: ok 3062
190: ok 3063
190: ok 3064
190: ok 3065
190: ok 3066
190: ok 3067
190: ok 3068
190: ok 3069
190: ok 3070
190: ok 3071
190: ok 3072
190: ok 3073
190: ok 3074
190: ok 3075
190: ok 3076
190: ok 3077
190: ok 3078
190: ok 3079
190: ok 3080
190: ok 3081
190: ok 3082
190: ok 3083
190: ok 3084
190: ok 3085
190: ok 3086
190: ok 3087
190: ok 3088
190: ok 3089
190: ok 3090
190: ok 3091
190: ok 3092
190: ok 3093
190: ok 3094
190: ok 3095
190: ok 3096
190: ok 3097
190: ok 3098
190: ok 3099
190: ok 3100
190: ok 3101
190: ok 3102
190: ok 3103
190: ok 3104
190: ok 3105
190: ok 3106
190: ok 3107
190: ok 3108
190: ok 3109
190: ok 3110
190: ok 3111
190: ok 3112
190: ok 3113
190: ok 3114
190: ok 3115
190: ok 3116
190: ok 3117
190: ok 3118
190: ok 3119
190: ok 3120
190: ok 3121
190: ok 3122
190: ok 3123
190: ok 3124
190: ok 3125
190: ok 3126
190: ok 3127
190: ok 3128
190: ok 3129
190: ok 3130
190: ok 3131
190: ok 3132
190: ok 3133
190: ok 3134
190: ok 3135
190: ok 3136
190: ok 3137
190: ok 3138
190: ok 3139
190: ok 3140
190: ok 3141
190: ok 3142
190: ok 3143
190: ok 3144
190: ok 3145
190: ok 3146
190: ok 3147
190: ok 3148
190: ok 3149
190: ok 3150
190: ok 3151
190: ok 3152
190: ok 3153
190: ok 3154
190: ok 3155
190: ok 3156
190: ok 3157
190: ok 3158
190: ok 3159
190: ok 3160
190: ok 3161
190: ok 3162
190: ok 3163
190: ok 3164
190: ok 3165
190: ok 3166
190: ok 3167
190: ok 3168
190: ok 3169
190: ok 3170
190: ok 3171
190: ok 3172
190: ok 3173
190: ok 3174
190: ok 3175
190: ok 3176
190: ok 3177
190: ok 3178
190: ok 3179
190: ok 3180
190: ok 3181
190: ok 3182
190: ok 3183
190: ok 3184
190: ok 3185
190: ok 3186
190: ok 3187
190: ok 3188
190: ok 3189
190: ok 3190
190: ok 3191
190: ok 3192
190: ok 3193
190: ok 3194
190: ok 3195
190: ok 3196
190: ok 3197
190: ok 3198
190: ok 3199
190: ok 3200
190: ok 3201
190: ok 3202
190: ok 3203
190: ok 3204
190: ok 3205
190: ok 3206
190: ok 3207
190: ok 3208
190: ok 3209
190: ok 3210
190: ok 3211
190: ok 3212
190: ok 3213
190: ok 3214
190: ok 3215
190: ok 3216
190: ok 3217
190: ok 3218
190: ok 3219
190: ok 3220
190: ok 3221
190: ok 3222
190: ok 3223
190: ok 3224
190: ok 3225
190: ok 3226
190: ok 3227
190: ok 3228
190: ok 3229
190: ok 3230
190: ok 3231
190: ok 3232
190: ok 3233
190: ok 3234
190: ok 3235
190: ok 3236
190: ok 3237
190: ok 3238
190: ok 3239
190: ok 3240
190: ok 3241
190: ok 3242
190: ok 3243
190: ok 3244
190: ok 3245
190: ok 3246
190: ok 3247
190: ok 3248
190: ok 3249
190: ok 3250
190: ok 3251
190: ok 3252
190: ok 3253
190: ok 3254
190: ok 3255
190: ok 3256
190: ok 3257
190: ok 3258
190: ok 3259
190: ok 3260
190: ok 3261
190: ok 3262
190: ok 3263
190: ok 3264
190: ok 3265
190: ok 3266
190: ok 3267
190: ok 3268
190: ok 3269
190: ok 3270
190: ok 3271
190: ok 3272
190: ok 3273
190: ok 3274
190: ok 3275
190: ok 3276
190: ok 3277
190: ok 3278
190: ok 3279
190: ok 3280
190: ok 3281
190: ok 3282
190: ok 3283
190: ok 3284
190: ok 3285
190: ok 3286
190: ok 3287
190: ok 3288
190: ok 3289
190: ok 3290
190: ok 3291
190: ok 3292
190: ok 3293
190: ok 3294
190: ok 3295
190: ok 3296
190: ok 3297
190: ok 3298
190: ok 3299
190: ok 3300
190: ok 3301
190: ok 3302
190: ok 3303
190: ok 3304
190: ok 3305
190: ok 3306
190: ok 3307
190: ok 3308
190: ok 3309
190: ok 3310
190: ok 3311
190: ok 3312
190: ok 3313
190: ok 3314
190: ok 3315
190: ok 3316
190: ok 3317
190: ok 3318
190: ok 3319
190: ok 3320
190: ok 3321
190: ok 3322
190: ok 3323
190: ok 3324
190: ok 3325
190: ok 3326
190: ok 3327
190: ok 3328
190: ok 3329
190: ok 3330
190: ok 3331
190: ok 3332
190: ok 3333
190: ok 3334
190: ok 3335
190: ok 3336
190: ok 3337
190: ok 3338
190: ok 3339
190: ok 3340
190: ok 3341
190: ok 3342
190: ok 3343
190: ok 3344
190: ok 3345
190: ok 3346
190: ok 3347
190: ok 3348
190: ok 3349
190: ok 3350
190: ok 3351
190: ok 3352
190: ok 3353
190: ok 3354
190: ok 3355
190: ok 3356
190: ok 3357
190: ok 3358
190: ok 3359
190: ok 3360
190: ok 3361
190: ok 3362
190: ok 3363
190: ok 3364
190: ok 3365
190: ok 3366
190: ok 3367
190: ok 3368
190: ok 3369
190: ok 3370
190: ok 3371
190: ok 3372
190: ok 3373
190: ok 3374
190: ok 3375
190: ok 3376
190: ok 3377
190: ok 3378
190: ok 3379
190: ok 3380
190: ok 3381
190: ok 3382
190: ok 3383
190: ok 3384
190: ok 3385
190: ok 3386
190: ok 3387
190: ok 3388
190: ok 3389
190: ok 3390
190: ok 3391
190: ok 3392
190: ok 3393
190: ok 3394
190: ok 3395
190: ok 3396
190: ok 3397
190: ok 3398
190: ok 3399
190: ok 3400
190: ok 3401
190: ok 3402
190: ok 3403
190: ok 3404
190: ok 3405
190: ok 3406
190: ok 3407
190: ok 3408
190: ok 3409
190: ok 3410
190: ok 3411
190: ok 3412
190: ok 3413
190: ok 3414
190: ok 3415
190: ok 3416
190: ok 3417
190: ok 3418
190: ok 3419
190: ok 3420
190: ok 3421
190: ok 3422
190: ok 3423
190: ok 3424
190: ok 3425
190: ok 3426
190: ok 3427
190: ok 3428
190: ok 3429
190: ok 3430
190: ok 3431
190: ok 3432
190: ok 3433
190: ok 3434
190: ok 3435
190: ok 3436
190: ok 3437
190: ok 3438
190: ok 3439
190: ok 3440
190: ok 3441
190: ok 3442
190: ok 3443
190: ok 3444
190: ok 3445
190: ok 3446
190: ok 3447
190: ok 3448
190: ok 3449
190: ok 3450
190: ok 3451
190: ok 3452
190: ok 3453
190: ok 3454
190: ok 3455
190: ok 3456
190: ok 3457
190: ok 3458
190: ok 3459
190: ok 3460
190: ok 3461
190: ok 3462
190: ok 3463
190: ok 3464
190: ok 3465
190: ok 3466
190: ok 3467
190: ok 3468
190: ok 3469
190: ok 3470
190: ok 3471
190: ok 3472
190: ok 3473
190: ok 3474
190: ok 3475
190: ok 3476
190: ok 3477
190: ok 3478
190: ok 3479
190: ok 3480
190: ok 3481
190: ok 3482
190: ok 3483
190: ok 3484
190: ok 3485
190: ok 3486
190: ok 3487
190: ok 3488
190: ok 3489
190: ok 3490
190: ok 3491
190: ok 3492
190: ok 3493
190: ok 3494
190: ok 3495
190: ok 3496
190: ok 3497
190: ok 3498
190: ok 3499
190: ok 3500
190: ok 3501
190: ok 3502
190: ok 3503
190: ok 3504
190: ok 3505
190: ok 3506
190: ok 3507
190: ok 3508
190: ok 3509
190: ok 3510
190: ok 3511
190: ok 3512
190: ok 3513
190: ok 3514
190: ok 3515
190: ok 3516
190: ok 3517
190: ok 3518
190: ok 3519
190: ok 3520
190: ok 3521
190: ok 3522
190: ok 3523
190: ok 3524
190: ok 3525
190: ok 3526
190: ok 3527
190: ok 3528
190: ok 3529
190: ok 3530
190: ok 3531
190: ok 3532
190: ok 3533
190: ok 3534
190: ok 3535
190: ok 3536
190: ok 3537
190: ok 3538
190: ok 3539
190: ok 3540
190: ok 3541
190: ok 3542
190: ok 3543
190: ok 3544
190: ok 3545
190: ok 3546
190: ok 3547
190: ok 3548
190: ok 3549
190: ok 3550
190: ok 3551
190: ok 3552
190: ok 3553
190: ok 3554
190: ok 3555
190: ok 3556
190: ok 3557
190: ok 3558
190: ok 3559
190: ok 3560
190: ok 3561
190: ok 3562
190: ok 3563
190: ok 3564
190: ok 3565
190: ok 3566
190: ok 3567
190: ok 3568
190: ok 3569
190: ok 3570
190: ok 3571
190: ok 3572
190: ok 3573
190: ok 3574
190: ok 3575
190: ok 3576
190: ok 3577
190: ok 3578
190: ok 3579
190: ok 3580
190: ok 3581
190: ok 3582
190: ok 3583
190: ok 3584
190: ok 3585
190: ok 3586
190: ok 3587
190: ok 3588
190: ok 3589
190: ok 3590
190: ok 3591
190: ok 3592
190: ok 3593
190: ok 3594
190: ok 3595
190: ok 3596
190: ok 3597
190: ok 3598
190: ok 3599
190: ok 3600
190: ok 3601
190: ok 3602
190: ok 3603
190: ok 3604
190: ok 3605
190: ok 3606
190: ok 3607
190: ok 3608
190: ok 3609
190: ok 3610
190: ok 3611
190: ok 3612
190: ok 3613
190: ok 3614
190: ok 3615
190: ok 3616
190: ok 3617
190: ok 3618
190: ok 3619
190: ok 3620
190: ok 3621
190: ok 3622
190: ok 3623
190: ok 3624
190: ok 3625
190: ok 3626
190: ok 3627
190: ok 3628
190: ok 3629
190: ok 3630
190: ok 3631
190: ok 3632
190: ok 3633
190: ok 3634
190: ok 3635
190: ok 3636
190: ok 3637
190: ok 3638
190: ok 3639
190: ok 3640
190: ok 3641
190: ok 3642
190: ok 3643
190: ok 3644
190: ok 3645
190: ok 3646
190: ok 3647
190: ok 3648
190: ok 3649
190: ok 3650
190: ok 3651
190: ok 3652
190: ok 3653
190: ok 3654
190: ok 3655
190: ok 3656
190: ok 3657
190: ok 3658
190: ok 3659
190: ok 3660
190: ok 3661
190: ok 3662
190: ok 3663
190: ok 3664
190: ok 3665
190: ok 3666
190: ok 3667
190: ok 3668
190: ok 3669
190: ok 3670
190: ok 3671
190: ok 3672
190: ok 3673
190: ok 3674
190: ok 3675
190: ok 3676
190: ok 3677
190: ok 3678
190: ok 3679
190: ok 3680
190: ok 3681
190: ok 3682
190: ok 3683
190: ok 3684
190: ok 3685
190: ok 3686
190: ok 3687
190: ok 3688
190: ok 3689
190: ok 3690
190: ok 3691
190: ok 3692
190: ok 3693
190: ok 3694
190: ok 3695
190: ok 3696
190: ok 3697
190: ok 3698
190: ok 3699
190: ok 3700
190: ok 3701
190: ok 3702
190: ok 3703
190: ok 3704
190: ok 3705
190: ok 3706
190: ok 3707
190: ok 3708
190: ok 3709
190: ok 3710
190: ok 3711
190: ok 3712
190: ok 3713
190: ok 3714
190: ok 3715
190: ok 3716
190: ok 3717
190: ok 3718
190: ok 3719
190: ok 3720
190: ok 3721
190: ok 3722
190: ok 3723
190: ok 3724
190: ok 3725
190: ok 3726
190: ok 3727
190: ok 3728
190: ok 3729
190: ok 3730
190: ok 3731
190: ok 3732
190: ok 3733
190: ok 3734
190: ok 3735
190: ok 3736
190: ok 3737
190: ok 3738
190: ok 3739
190: ok 3740
190: ok 3741
190: ok 3742
190: ok 3743
190: ok 3744
190: ok 3745
190: ok 3746
190: ok 3747
190: ok 3748
190: ok 3749
190: ok 3750
190: ok 3751
190: ok 3752
190: ok 3753
190: ok 3754
190: ok 3755
190: ok 3756
190: ok 3757
190: ok 3758
190: ok 3759
190: ok 3760
190: ok 3761
190: ok 3762
190: ok 3763
190: ok 3764
190: ok 3765
190: ok 3766
190: ok 3767
190: ok 3768
190: ok 3769
190: ok 3770
190: ok 3771
190: ok 3772
190: ok 3773
190: ok 3774
190: ok 3775
190: ok 3776
190: ok 3777
190: ok 3778
190: ok 3779
190: ok 3780
190: ok 3781
190: ok 3782
190: ok 3783
190: ok 3784
190: ok 3785
190: ok 3786
190: ok 3787
190: ok 3788
190: ok 3789
190: ok 3790
190: ok 3791
190: ok 3792
190: ok 3793
190: ok 3794
190: ok 3795
190: ok 3796
190: ok 3797
190: ok 3798
190: ok 3799
190: ok 3800
190: ok 3801
190: ok 3802
190: ok 3803
190: ok 3804
190: ok 3805
190: ok 3806
190: ok 3807
190: ok 3808
190: ok 3809
190: ok 3810
190: ok 3811
190: ok 3812
190: ok 3813
190: ok 3814
190: ok 3815
190: ok 3816
190: ok 3817
190: ok 3818
190: ok 3819
190: ok 3820
190: ok 3821
190: ok 3822
190: ok 3823
190: ok 3824
190: ok 3825
190: ok 3826
190: ok 3827
190: ok 3828
190: ok 3829
190: ok 3830
190: ok 3831
190: ok 3832
190: ok 3833
190: ok 3834
190: ok 3835
190: ok 3836
190: ok 3837
190: ok 3838
190: ok 3839
190: ok 3840
190: ok 3841
190: ok 3842
190: ok 3843
190: ok 3844
190: ok 3845
190: ok 3846
190: ok 3847
190: ok 3848
190: ok 3849
190: ok 3850
190: ok 3851
190: ok 3852
190: ok 3853
190: ok 3854
190: ok 3855
190: ok 3856
190: ok 3857
190: ok 3858
190: ok 3859
190: ok 3860
190: ok 3861
190: ok 3862
190: ok 3863
190: ok 3864
190: ok 3865
190: ok 3866
190: ok 3867
190: ok 3868
190: ok 3869
190: ok 3870
190: ok 3871
190: ok 3872
190: ok 3873
190: ok 3874
190: ok 3875
190: ok 3876
190: ok 3877
190: ok 3878
190: ok 3879
190: ok 3880
190: ok 3881
190: ok 3882
190: ok 3883
190: ok 3884
190: ok 3885
190: ok 3886
190: ok 3887
190: ok 3888
190: ok 3889
190: ok 3890
190: ok 3891
190: ok 3892
190: ok 3893
190: ok 3894
190: ok 3895
190: ok 3896
190: ok 3897
190: ok 3898
190: ok 3899
190: ok 3900
190: ok 3901
190: ok 3902
190: ok 3903
190: ok 3904
190: ok 3905
190: ok 3906
190: ok 3907
190: ok 3908
190: ok 3909
190: ok 3910
190: ok 3911
190: ok 3912
190: ok 3913
190: ok 3914
190: ok 3915
190: ok 3916
190: ok 3917
190: ok 3918
190: ok 3919
190: ok 3920
190: ok 3921
190: ok 3922
190: ok 3923
190: ok 3924
190: ok 3925
190: ok 3926
190: ok 3927
190: ok 3928
190: ok 3929
190: ok 3930
190: ok 3931
190: ok 3932
190: ok 3933
190: ok 3934
190: ok 3935
190: ok 3936
190: ok 3937
190: ok 3938
190: ok 3939
190: ok 3940
190: ok 3941
190: ok 3942
190: ok 3943
190: ok 3944
190: ok 3945
190: ok 3946
190: ok 3947
190: ok 3948
190: ok 3949
190: ok 3950
190: ok 3951
190: ok 3952
190: ok 3953
190: ok 3954
190: ok 3955
190: ok 3956
190: ok 3957
190: ok 3958
190: ok 3959
190: ok 3960
190: ok 3961
190: ok 3962
190: ok 3963
190: ok 3964
190: ok 3965
190: ok 3966
190: ok 3967
190: ok 3968
190: ok 3969
190: ok 3970
190: ok 3971
190: ok 3972
190: ok 3973
190: ok 3974
190: ok 3975
190: ok 3976
190: ok 3977
190: ok 3978
190: ok 3979
190: ok 3980
190: ok 3981
190: ok 3982
190: ok 3983
190: ok 3984
190: ok 3985
190: ok 3986
190: ok 3987
190: ok 3988
190: ok 3989
190: ok 3990
190: ok 3991
190: ok 3992
190: ok 3993
190: ok 3994
190: ok 3995
190: ok 3996
190: ok 3997
190: ok 3998
190: ok 3999
190: ok 4000
190: ok 4001
190: ok 4002
190: ok 4003
190: ok 4004
190: ok 4005
190: ok 4006
190: ok 4007
190: ok 4008
190: ok 4009
190: ok 4010
190: ok 4011
190: ok 4012
190: ok 4013
190: ok 4014
190: ok 4015
190: ok 4016
190: ok 4017
190: ok 4018
190: ok 4019
190: ok 4020
190: ok 4021
190: ok 4022
190: ok 4023
190: ok 4024
190: ok 4025
190: ok 4026
190: ok 4027
190: ok 4028
190: ok 4029
190: ok 4030
190: ok 4031
190: ok 4032
190: ok 4033
190: ok 4034
190: ok 4035
190: ok 4036
190: ok 4037
190: ok 4038
190: ok 4039
190: ok 4040
190: ok 4041
190: ok 4042
190: ok 4043
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190: ok 4235
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190: ok 4280
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190: ok 4321
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190: ok 4361
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190: ok 4365
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190: ok 4547
190: ok 4548
190: ok 4549
190: ok 4550
190: ok 4551
190: ok 4552
190: ok 4553
190: ok 4554
190: ok 4555
190: ok 4556
190: ok 4557
190: ok 4558
190: ok 4559
190: ok 4560
190: ok 4561
190: ok 4562
190: ok 4563
190: ok 4564
190: ok 4565
190: ok 4566
190: ok 4567
190: ok 4568
190: ok 4569
190: ok 4570
190: ok 4571
190: ok 4572
190: ok 4573
190: ok 4574
190: ok 4575
190: ok 4576
190: ok 4577
190: ok 4578
190: ok 4579
190: ok 4580
190: ok 4581
190: ok 4582
190: ok 4583
190: ok 4584
190: ok 4585
190: ok 4586
190: ok 4587
190: ok 4588
190: ok 4589
190: ok 4590
190: ok 4591
190: ok 4592
190: ok 4593
190: ok 4594
190: ok 4595
190: ok 4596
190: ok 4597
190: ok 4598
190: ok 4599
190: ok 4600
190: ok 4601
190: ok 4602
190: ok 4603
190: ok 4604
190: ok 4605
190: ok 4606
190: ok 4607
190: ok 4608
190: ok 4609
190: ok 4610
190: ok 4611
190: ok 4612
190: ok 4613
190: ok 4614
190: ok 4615
190: ok 4616
190: ok 4617
190: ok 4618
190: ok 4619
190: ok 4620
190: ok 4621
190: ok 4622
190: ok 4623
190: ok 4624
190: ok 4625
190: ok 4626
190: ok 4627
190: ok 4628
190: ok 4629
190: ok 4630
190: ok 4631
190: ok 4632
190: ok 4633
190: ok 4634
190: ok 4635
190: ok 4636
190: ok 4637
190: ok 4638
190: ok 4639
190: ok 4640
190: ok 4641
190: ok 4642
190: ok 4643
190: ok 4644
190: ok 4645
190: ok 4646
190: ok 4647
190: ok 4648
190: ok 4649
190: ok 4650
190: ok 4651
190: ok 4652
190: ok 4653
190: ok 4654
190: ok 4655
190: ok 4656
190: ok 4657
190: ok 4658
190: ok 4659
190: ok 4660
190: ok 4661
190: ok 4662
190: ok 4663
190: ok 4664
190: ok 4665
190: ok 4666
190: ok 4667
190: ok 4668
190: ok 4669
190: ok 4670
190: ok 4671
190: ok 4672
190: ok 4673
190: ok 4674
190: ok 4675
190: ok 4676
190: ok 4677
190: ok 4678
190: ok 4679
190: ok 4680
190: ok 4681
190: ok 4682
190: ok 4683
190: ok 4684
190: ok 4685
190: ok 4686
190: ok 4687
190: ok 4688
190: ok 4689
190: ok 4690
190: ok 4691
190: ok 4692
190: ok 4693
190: ok 4694
190: ok 4695
190: ok 4696
190: ok 4697
190: ok 4698
190: ok 4699
190: ok 4700
190: ok 4701
190: ok 4702
190: ok 4703
190: ok 4704
190: ok 4705
190: ok 4706
190: ok 4707
190: ok 4708
190: ok 4709
190: ok 4710
190: ok 4711
190: ok 4712
190: ok 4713
190: ok 4714
190: ok 4715
190: ok 4716
190: ok 4717
190: ok 4718
190: ok 4719
190: ok 4720
190: ok 4721
190: ok 4722
190: ok 4723
190: ok 4724
190: ok 4725
190: ok 4726
190: ok 4727
190: ok 4728
190: ok 4729
190: ok 4730
190: ok 4731
190: ok 4732
190: ok 4733
190: ok 4734
190: ok 4735
190: ok 4736
190: ok 4737
190: ok 4738
190: ok 4739
190: ok 4740
190: ok 4741
190: ok 4742
190: ok 4743
190: ok 4744
190: ok 4745
190: ok 4746
190: ok 4747
190: ok 4748
190: ok 4749
190: ok 4750
190: ok 4751
190: ok 4752
190: ok 4753
190: ok 4754
190: ok 4755
190: ok 4756
190: ok 4757
190: ok 4758
190: ok 4759
190: ok 4760
190: ok 4761
190: ok 4762
190: ok 4763
190: ok 4764
190: ok 4765
190: ok 4766
190: ok 4767
190: ok 4768
190: ok 4769
190: ok 4770
190: ok 4771
190: ok 4772
190: ok 4773
190: ok 4774
190: ok 4775
190: ok 4776
190: ok 4777
190: ok 4778
190: ok 4779
190: ok 4780
190: ok 4781
190: ok 4782
190: ok 4783
190: ok 4784
190: ok 4785
190: ok 4786
190: ok 4787
190: ok 4788
190: ok 4789
190: ok 4790
190: ok 4791
190: ok 4792
190: ok 4793
190: ok 4794
190: ok 4795
190: ok 4796
190: ok 4797
190: ok 4798
190: ok 4799
190: ok 4800
190: ok 4801
190: ok 4802
190: ok 4803
190: ok 4804
190: ok 4805
190: ok 4806
190: ok 4807
190: ok 4808
190: ok 4809
190: ok 4810
190: ok 4811
190: ok 4812
190: ok 4813
190: ok 4814
190: ok 4815
190: ok 4816
190: ok 4817
190: ok 4818
190: ok 4819
190: ok 4820
190: ok 4821
190: ok 4822
190: ok 4823
190: ok 4824
190: ok 4825
190: ok 4826
190: ok 4827
190: ok 4828
190: ok 4829
190: ok 4830
190: ok 4831
190: ok 4832
190: ok 4833
190: ok 4834
190: ok 4835
190: ok 4836
190: ok 4837
190: ok 4838
190: ok 4839
190: ok 4840
190: ok 4841
190: ok 4842
190: ok 4843
190: ok 4844
190: ok 4845
190: ok 4846
190: ok 4847
190: ok 4848
190: ok 4849
190: ok 4850
190: ok 4851
190: ok 4852
190: ok 4853
190: ok 4854
190: ok 4855
190: ok 4856
190: ok 4857
190: ok 4858
190: ok 4859
190: ok 4860
190: ok 4861
190: ok 4862
190: ok 4863
190: ok 4864
190: ok 4865
190: ok 4866
190: ok 4867
190: ok 4868
190: ok 4869
190: ok 4870
190: ok 4871
190: ok 4872
190: ok 4873
190: ok 4874
190: ok 4875
190: ok 4876
190: ok 4877
190: ok 4878
190: ok 4879
190: ok 4880
190: ok 4881
190: ok 4882
190: ok 4883
190: ok 4884
190: ok 4885
190: ok 4886
190: ok 4887
190: ok 4888
190: ok 4889
190: ok 4890
190: ok 4891
190: ok 4892
190: ok 4893
190: ok 4894
190: ok 4895
190: ok 4896
190: ok 4897
190: ok 4898
190: ok 4899
190: ok 4900
190: ok 4901
190: ok 4902
190: ok 4903
190: ok 4904
190: ok 4905
190: ok 4906
190: ok 4907
190: ok 4908
190: ok 4909
190: ok 4910
190: ok 4911
190: ok 4912
190: ok 4913
190: ok 4914
190: ok 4915
190: ok 4916
190: ok 4917
190: ok 4918
190: ok 4919
190: ok 4920
190: ok 4921
190: ok 4922
190: ok 4923
190: ok 4924
190: ok 4925
190: ok 4926
190: ok 4927
190: ok 4928
190: ok 4929
190: ok 4930
190: ok 4931
190: ok 4932
190: ok 4933
190: ok 4934
190: ok 4935
190: ok 4936
190: ok 4937
190: ok 4938
190: ok 4939
190: ok 4940
190: ok 4941
190: ok 4942
190: ok 4943
190: ok 4944
190: ok 4945
190: ok 4946
190: ok 4947
190: ok 4948
190: ok 4949
190: ok 4950
190: ok 4951
190: ok 4952
190: ok 4953
190: ok 4954
190: ok 4955
190: ok 4956
190: ok 4957
190: ok 4958
190: ok 4959
190: ok 4960
190: ok 4961
190: ok 4962
190: ok 4963
190: ok 4964
190: ok 4965
190: ok 4966
190: ok 4967
190: ok 4968
190: ok 4969
190: ok 4970
190: ok 4971
190: ok 4972
190: ok 4973
190: ok 4974
190: ok 4975
190: ok 4976
190: ok 4977
190: ok 4978
190: ok 4979
190: ok 4980
190: ok 4981
190: ok 4982
190: ok 4983
190: ok 4984
190: ok 4985
190: ok 4986
190: ok 4987
190: ok 4988
190: ok 4989
190: ok 4990
190: ok 4991
190: ok 4992
190: ok 4993
190: ok 4994
190: ok 4995
190: ok 4996
190: ok 4997
190: ok 4998
190: ok 4999
190: ok 5000
190: ok 5001
190: ok 5002
190: ok 5003
190: ok 5004
190: ok 5005
190: ok 5006
190: ok 5007
190: ok 5008
190: ok 5009
190: ok 5010
190: ok 5011
190: ok 5012
190: ok 5013
190: ok 5014
190: ok 5015
190: ok 5016
190: ok 5017
190: ok 5018
190: ok 5019
190: ok 5020
190: ok 5021
190: ok 5022
190: ok 5023
190: ok 5024
190: ok 5025
190: ok 5026
190: ok 5027
190: ok 5028
190: ok 5029
190: ok 5030
190: ok 5031
190: ok 5032
190: ok 5033
190: ok 5034
190: ok 5035
190: ok 5036
190: ok 5037
190: ok 5038
190: ok 5039
190: ok 5040
190: ok 5041
190: ok 5042
190: ok 5043
190: ok 5044
190: ok 5045
190: ok 5046
190: ok 5047
190: ok 5048
190: ok 5049
190: ok 5050
190: ok 5051
190: ok 5052
190: ok 5053
190: ok 5054
190: ok 5055
190: ok 5056
190: ok 5057
190: ok 5058
190: ok 5059
190: ok 5060
190: ok 5061
190: ok 5062
190: ok 5063
190: ok 5064
190: ok 5065
190: ok 5066
190: ok 5067
190: ok 5068
190: ok 5069
190: ok 5070
190: ok 5071
190: ok 5072
190: ok 5073
190: ok 5074
190: ok 5075
190: ok 5076
190: ok 5077
190: ok 5078
190: ok 5079
190: ok 5080
190: ok 5081
190: ok 5082
190: ok 5083
190: ok 5084
190: ok 5085
190: ok 5086
190: ok 5087
190: ok 5088
190: ok 5089
190: ok 5090
190: ok 5091
190: ok 5092
190: ok 5093
190: ok 5094
190: ok 5095
190: ok 5096
190: ok 5097
190: ok 5098
190: ok 5099
190: ok 5100
190: ok 5101
190: ok 5102
190: ok 5103
190: ok 5104
190: ok 5105
190: ok 5106
190: ok 5107
190: ok 5108
190: ok 5109
190: ok 5110
190: ok 5111
190: ok 5112
190: ok 5113
190: ok 5114
190: ok 5115
190: ok 5116
190: ok 5117
190: ok 5118
190: ok 5119
190: ok 5120
190: ok 5121
190: ok 5122
190: ok 5123
190: ok 5124
190: ok 5125
190: ok 5126
190: ok 5127
190: ok 5128
190: ok 5129
190: ok 5130
190: ok 5131
190: ok 5132
190: ok 5133
190: ok 5134
190: ok 5135
190: ok 5136
190: ok 5137
190: ok 5138
190: ok 5139
190: ok 5140
190: ok 5141
190: ok 5142
190: ok 5143
190: ok 5144
190: ok 5145
190: ok 5146
190: ok 5147
190: ok 5148
190: ok 5149
190: ok 5150
190: ok 5151
190: ok 5152
190: ok 5153
190: ok 5154
190: ok 5155
190: ok 5156
190: ok 5157
190: ok 5158
190: ok 5159
190: ok 5160
190: ok 5161
190: ok 5162
190: ok 5163
190: ok 5164
190: ok 5165
190: ok 5166
190: ok 5167
190: ok 5168
190: ok 5169
190: ok 5170
190: ok 5171
190: ok 5172
190: ok 5173
190: ok 5174
190: ok 5175
190: ok 5176
190: ok 5177
190: ok 5178
190: ok 5179
190: ok 5180
190: ok 5181
190: ok 5182
190: ok 5183
190: ok 5184
190: ok 5185
190: ok 5186
190: ok 5187
190: ok 5188
190: ok 5189
190: ok 5190
190: ok 5191
190: ok 5192
190: ok 5193
190: ok 5194
190: ok 5195
190: ok 5196
190: ok 5197
190: ok 5198
190: ok 5199
190: ok 5200
190: ok 5201
190: ok 5202
190: ok 5203
190: ok 5204
190: ok 5205
190: ok 5206
190: ok 5207
190: ok 5208
190: ok 5209
190: ok 5210
190: ok 5211
190: ok 5212
190: ok 5213
190: ok 5214
190: ok 5215
190: ok 5216
190: ok 5217
190: ok 5218
190: ok 5219
190: ok 5220
190: ok 5221
190: ok 5222
190: ok 5223
190: ok 5224
190: ok 5225
190: ok 5226
190: ok 5227
190: ok 5228
190: ok 5229
190: ok 5230
190: ok 5231
190: ok 5232
190: ok 5233
190: ok 5234
190: ok 5235
190: ok 5236
190: ok 5237
190: ok 5238
190: ok 5239
190: ok 5240
190: ok 5241
190: ok 5242
190: ok 5243
190: ok 5244
190: ok 5245
190: ok 5246
190: ok 5247
190: ok 5248
190: ok 5249
190: ok 5250
190: ok 5251
190: ok 5252
190: ok 5253
190: ok 5254
190: ok 5255
190: ok 5256
190: ok 5257
190: ok 5258
190: ok 5259
190: ok 5260
190: ok 5261
190: ok 5262
190: ok 5263
190: ok 5264
190: ok 5265
190: ok 5266
190: ok 5267
190: ok 5268
190: ok 5269
190: ok 5270
190: ok 5271
190: ok 5272
190: ok 5273
190: ok 5274
190: ok 5275
190: ok 5276
190: ok 5277
190: ok 5278
190: ok 5279
190: ok 5280
190: ok 5281
190: ok 5282
190: ok 5283
190: ok 5284
190: ok 5285
190: ok 5286
190: ok 5287
190: ok 5288
190: ok 5289
190: ok 5290
190: ok 5291
190: ok 5292
190: ok 5293
190: ok 5294
190: ok 5295
190: ok 5296
190: ok 5297
190: ok 5298
190: ok 5299
190: ok 5300
190: ok 5301
190: ok 5302
190: ok 5303
190: ok 5304
190: ok 5305
190: ok 5306
190: ok 5307
190: ok 5308
190: ok 5309
190: ok 5310
190: ok 5311
190: ok 5312
190: ok 5313
190: ok 5314
190: ok 5315
190: ok 5316
190: ok 5317
190: ok 5318
190: ok 5319
190: ok 5320
190: ok 5321
190: ok 5322
190: ok 5323
190: ok 5324
190: ok 5325
190: ok 5326
190: ok 5327
190: ok 5328
190: ok 5329
190: ok 5330
190: ok 5331
190: ok 5332
190: ok 5333
190: ok 5334
190: ok 5335
190: ok 5336
190: ok 5337
190: ok 5338
190: ok 5339
190: ok 5340
190: ok 5341
190: ok 5342
190: ok 5343
190: ok 5344
190: ok 5345
190: ok 5346
190: ok 5347
190: ok 5348
190: ok 5349
190: ok 5350
190: ok 5351
190: ok 5352
190: ok 5353
190: ok 5354
190: ok 5355
190: ok 5356
190: ok 5357
190: ok 5358
190: ok 5359
190: ok 5360
190: ok 5361
190: ok 5362
190: ok 5363
190: ok 5364
190: ok 5365
190: ok 5366
190: ok 5367
190: ok 5368
190: ok 5369
190: ok 5370
190: ok 5371
190: ok 5372
190: ok 5373
190: ok 5374
190: ok 5375
190: ok 5376
190: ok 5377
190: ok 5378
190: ok 5379
190: ok 5380
190: ok 5381
190: ok 5382
190: ok 5383
190: ok 5384
190: ok 5385
190: ok 5386
190: ok 5387
190: ok 5388
190: ok 5389
190: ok 5390
190: ok 5391
190: ok 5392
190: ok 5393
190: ok 5394
190: ok 5395
190: ok 5396
190: ok 5397
190: ok 5398
190: ok 5399
190: ok 5400
190: ok 5401
190: ok 5402
190: ok 5403
190: ok 5404
190: ok 5405
190: ok 5406
190: ok 5407
190: ok 5408
190: ok 5409
190: ok 5410
190: ok 5411
190: ok 5412
190: ok 5413
190: ok 5414
190: ok 5415
190: ok 5416
190: ok 5417
190: ok 5418
190: ok 5419
190: ok 5420
190: ok 5421
190: ok 5422
190: ok 5423
190: ok 5424
190: ok 5425
190: ok 5426
190: ok 5427
190: ok 5428
190: ok 5429
190: ok 5430
190: ok 5431
190: ok 5432
190: ok 5433
190: ok 5434
190: ok 5435
190: ok 5436
190: ok 5437
190: ok 5438
190: ok 5439
190: ok 5440
190: ok 5441
190: ok 5442
190: ok 5443
190: ok 5444
190: ok 5445
190: ok 5446
190: ok 5447
190: ok 5448
190: ok 5449
190: ok 5450
190: ok 5451
190: ok 5452
190: ok 5453
190: ok 5454
190: ok 5455
190: ok 5456
190: ok 5457
190: ok 5458
190: ok 5459
190: ok 5460
190: ok 5461
190: ok 5462
190: ok 5463
190: ok 5464
190: ok 5465
190: ok 5466
190: ok 5467
190: ok 5468
190: ok 5469
190: ok 5470
190: ok 5471
190: ok 5472
190: ok 5473
190: ok 5474
190: ok 5475
190: ok 5476
190: ok 5477
190: ok 5478
190: ok 5479
190: ok 5480
190: ok 5481
190: ok 5482
190: ok 5483
190: ok 5484
190: ok 5485
190: ok 5486
190: ok 5487
190: ok 5488
190: ok 5489
190: ok 5490
190: ok 5491
190: ok 5492
190: ok 5493
190: ok 5494
190: ok 5495
190: ok 5496
190: ok 5497
190: ok 5498
190: ok 5499
190: ok 5500
190: ok 5501
190: ok 5502
190: ok 5503
190: ok 5504
190: ok 5505
190: ok 5506
190: ok 5507
190: ok 5508
190: ok 5509
190: ok 5510
190: ok 5511
190: ok 5512
190: ok 5513
190: ok 5514
190: ok 5515
190: ok 5516
190: ok 5517
190: ok 5518
190: ok 5519
190: ok 5520
190: ok 5521
190: ok 5522
190: ok 5523
190: ok 5524
190: ok 5525
190: ok 5526
190: ok 5527
190: ok 5528
190: ok 5529
190: ok 5530
190: ok 5531
190: ok 5532
190: ok 5533
190: ok 5534
190: ok 5535
190: ok 5536
190: ok 5537
190: ok 5538
190: ok 5539
190: ok 5540
190: ok 5541
190: ok 5542
190: ok 5543
190: ok 5544
190: ok 5545
190: ok 5546
190: ok 5547
190: ok 5548
190: ok 5549
190: ok 5550
190: ok 5551
190: ok 5552
190: ok 5553
190: ok 5554
190: ok 5555
190: ok 5556
190: ok 5557
190: ok 5558
190: ok 5559
190: ok 5560
190: ok 5561
190: ok 5562
190: ok 5563
190: ok 5564
190: ok 5565
190: ok 5566
190: ok 5567
190: ok 5568
190: ok 5569
190: ok 5570
190: ok 5571
190: ok 5572
190: ok 5573
190: ok 5574
190: ok 5575
190: ok 5576
190: ok 5577
190: ok 5578
190: ok 5579
190: ok 5580
190: ok 5581
190: ok 5582
190: ok 5583
190: ok 5584
190: ok 5585
190: ok 5586
190: ok 5587
190: ok 5588
190: ok 5589
190: ok 5590
190: ok 5591
190: ok 5592
190: ok 5593
190: ok 5594
190: ok 5595
190: ok 5596
190: ok 5597
190: ok 5598
190: ok 5599
190: ok 5600
190: ok 5601
190: ok 5602
190: ok 5603
190: ok 5604
190: ok 5605
190: ok 5606
190: ok 5607
190: ok 5608
190: ok 5609
190: ok 5610
190: ok 5611
190: ok 5612
190: ok 5613
190: ok 5614
190: ok 5615
190: ok 5616
190: ok 5617
190: ok 5618
190: ok 5619
190: ok 5620
190: ok 5621
190: ok 5622
190: ok 5623
190: ok 5624
190: ok 5625
190: ok 5626
190: ok 5627
190: ok 5628
190: ok 5629
190: ok 5630
190: ok 5631
190: ok 5632
190: ok 5633
190: ok 5634
190: ok 5635
190: ok 5636
190: ok 5637
190: ok 5638
190: ok 5639
190: ok 5640
190: ok 5641
190: ok 5642
190: ok 5643
190: ok 5644
190: ok 5645
190: ok 5646
190: ok 5647
190: ok 5648
190: ok 5649
190: ok 5650
190: ok 5651
190: ok 5652
190: ok 5653
190: ok 5654
190: ok 5655
190: ok 5656
190: ok 5657
190: ok 5658
190: ok 5659
190: ok 5660
190: ok 5661
190: ok 5662
190: ok 5663
190: ok 5664
190: ok 5665
190: ok 5666
190: ok 5667
190: ok 5668
190: ok 5669
190: ok 5670
190: ok 5671
190: ok 5672
190: ok 5673
190: ok 5674
190: ok 5675
190: ok 5676
190: ok 5677
190: ok 5678
190: ok 5679
190: ok 5680
190: ok 5681
190: ok 5682
190: ok 5683
190: ok 5684
190: ok 5685
190: ok 5686
190: ok 5687
190: ok 5688
190: ok 5689
190: ok 5690
190: ok 5691
190: ok 5692
190: ok 5693
190: ok 5694
190: ok 5695
190: ok 5696
190: ok 5697
190: ok 5698
190: ok 5699
190: ok 5700
190: ok 5701
190: ok 5702
190: ok 5703
190: ok 5704
190: ok 5705
190: ok 5706
190: ok 5707
190: ok 5708
190: ok 5709
190: ok 5710
190: ok 5711
190: ok 5712
190: ok 5713
190: ok 5714
190: ok 5715
190: ok 5716
190: ok 5717
190: ok 5718
190: ok 5719
190: ok 5720
190: ok 5721
190: ok 5722
190: ok 5723
190: ok 5724
190: ok 5725
190: ok 5726
190: ok 5727
190: ok 5728
190: ok 5729
190: ok 5730
190: ok 5731
190: ok 5732
190: ok 5733
190: ok 5734
190: ok 5735
190: ok 5736
190: ok 5737
190: ok 5738
190: ok 5739
190: ok 5740
190: ok 5741
190: ok 5742
190: ok 5743
190: ok 5744
190: ok 5745
190: ok 5746
190: ok 5747
190: ok 5748
190: ok 5749
190: ok 5750
190: ok 5751
190: ok 5752
190: ok 5753
190: ok 5754
190: ok 5755
190: ok 5756
190: ok 5757
190: ok 5758
190: ok 5759
190: ok 5760
190: ok 5761
190: ok 5762
190: ok 5763
190: ok 5764
190: ok 5765
190: ok 5766
190: ok 5767
190: ok 5768
190: ok 5769
190: ok 5770
190: ok 5771
190: ok 5772
190: ok 5773
190: ok 5774
190: ok 5775
190: ok 5776
190: ok 5777
190: ok 5778
190: ok 5779
190: ok 5780
190: ok 5781
190: ok 5782
190: ok 5783
190: ok 5784
190: ok 5785
190: ok 5786
190: ok 5787
190: ok 5788
190: ok 5789
190: ok 5790
190: ok 5791
190: ok 5792
190: ok 5793
190: ok 5794
190: ok 5795
190: ok 5796
190: ok 5797
190: ok 5798
190: ok 5799
190: ok 5800
190: ok 5801
190: ok 5802
190: ok 5803
190: ok 5804
190: ok 5805
190: ok 5806
190: ok 5807
190: ok 5808
190: ok 5809
190: ok 5810
190: ok 5811
190: ok 5812
190: ok 5813
190: ok 5814
190: ok 5815
190: ok 5816
190: ok 5817
190: ok 5818
190: ok 5819
190: ok 5820
190: ok 5821
190: ok 5822
190: ok 5823
190: ok 5824
190: ok 5825
190: ok 5826
190: ok 5827
190: ok 5828
190: ok 5829
190: ok 5830
190: ok 5831
190: ok 5832
190: ok 5833
190: ok 5834
190: ok 5835
190: ok 5836
190: ok 5837
190: ok 5838
190: ok 5839
190: ok 5840
190: ok 5841
190: ok 5842
190: ok 5843
190: ok 5844
190: ok 5845
190: ok 5846
190: ok 5847
190: ok 5848
190: ok 5849
190: ok 5850
190: ok 5851
190: ok 5852
190: ok 5853
190: ok 5854
190: ok 5855
190: ok 5856
190: ok 5857
190: ok 5858
190: ok 5859
190: ok 5860
190: ok 5861
190: ok 5862
190: ok 5863
190: ok 5864
190: ok 5865
190: ok 5866
190: ok 5867
190: ok 5868
190: ok 5869
190: ok 5870
190: ok 5871
190: ok 5872
190: ok 5873
190: ok 5874
190: ok 5875
190: ok 5876
190: ok 5877
190: ok 5878
190: ok 5879
190: ok 5880
190: ok 5881
190: ok 5882
190: ok 5883
190: ok 5884
190: ok 5885
190: ok 5886
190: ok 5887
190: ok 5888
190: ok 5889
190: ok 5890
190: ok 5891
190: ok 5892
190: ok 5893
190: ok 5894
190: ok 5895
190: ok 5896
190: ok 5897
190: ok 5898
190: ok 5899
190: ok 5900
190: ok 5901
190: ok 5902
190: ok 5903
190: ok 5904
190: ok 5905
190: ok 5906
190: ok 5907
190: ok 5908
190: ok 5909
190: ok 5910
190: ok 5911
190: ok 5912
190: ok 5913
190: ok 5914
190: ok 5915
190: ok 5916
190: ok 5917
190: ok 5918
190: ok 5919
190: ok 5920
190: ok 5921
190: ok 5922
190: ok 5923
190: ok 5924
190: ok 5925
190: ok 5926
190: ok 5927
190: ok 5928
190: ok 5929
190: ok 5930
190: ok 5931
190: ok 5932
190: ok 5933
190: ok 5934
190: ok 5935
190: ok 5936
190: ok 5937
190: ok 5938
190: ok 5939
190: ok 5940
190: ok 5941
190: ok 5942
190: ok 5943
190: ok 5944
190: ok 5945
190: ok 5946
190: ok 5947
190: ok 5948
190: ok 5949
190: ok 5950
190: ok 5951
190: ok 5952
190: ok 5953
190: ok 5954
190: ok 5955
190: ok 5956
190: ok 5957
190: ok 5958
190: ok 5959
190: ok 5960
190: ok 5961
190: ok 5962
190: ok 5963
190: ok 5964
190: ok 5965
190: ok 5966
190: ok 5967
190: ok 5968
190: ok 5969
190: ok 5970
190: ok 5971
190: ok 5972
190: ok 5973
190: ok 5974
190: ok 5975
190: ok 5976
190: ok 5977
190: ok 5978
190: ok 5979
190: ok 5980
190: ok 5981
190: ok 5982
190: ok 5983
190: ok 5984
190: ok 5985
190: ok 5986
190: ok 5987
190: ok 5988
190: ok 5989
190: ok 5990
190: ok 5991
190: ok 5992
190: ok 5993
190: ok 5994
190: ok 5995
190: ok 5996
190: ok 5997
190: ok 5998
190: ok 5999
190: ok 6000
190: ok 6001
190: ok 6002
190: ok 6003
190: ok 6004
190: ok 6005
190: ok 6006
190: ok 6007
190: ok 6008
190: ok 6009
190: ok 6010
190: ok 6011
190: ok 6012
190: ok 6013
190: ok 6014
190: ok 6015
190: ok 6016
190: ok 6017
190: ok 6018
190: ok 6019
190: ok 6020
190: ok 6021
190: ok 6022
190: ok 6023
190: ok 6024
190: ok 6025
190: ok 6026
190: ok 6027
190: ok 6028
190: ok 6029
190: ok 6030
190: ok 6031
190: ok 6032
190: ok 6033
190: ok 6034
190: ok 6035
190: ok 6036
190: ok 6037
190: ok 6038
190: ok 6039
190: ok 6040
190: ok 6041
190: ok 6042
190: ok 6043
190: ok 6044
190: ok 6045
190: ok 6046
190: ok 6047
190: ok 6048
190: ok 6049
190: ok 6050
190: ok 6051
190: ok 6052
190: ok 6053
190: ok 6054
190: ok 6055
190: ok 6056
190: ok 6057
190: ok 6058
190: ok 6059
190: ok 6060
190: ok 6061
190: ok 6062
190: ok 6063
190: ok 6064
190: ok 6065
190: ok 6066
190: ok 6067
190: ok 6068
190: ok 6069
190: ok 6070
190: ok 6071
190: ok 6072
190: ok 6073
190: ok 6074
190: ok 6075
190: ok 6076
190: ok 6077
190: ok 6078
190: ok 6079
190: ok 6080
190: ok 6081
190: ok 6082
190: ok 6083
190: ok 6084
190: ok 6085
190: ok 6086
190: ok 6087
190: ok 6088
190: ok 6089
190: ok 6090
190: ok 6091
190: ok 6092
190: ok 6093
190: ok 6094
190: ok 6095
190: ok 6096
190: ok 6097
190: ok 6098
190: ok 6099
190: ok 6100
190: ok 6101
190: ok 6102
190: ok 6103
190: ok 6104
190: ok 6105
190: ok 6106
190: ok 6107
190: ok 6108
190: ok 6109
190: ok 6110
190: ok 6111
190: ok 6112
190: ok 6113
190: ok 6114
190: ok 6115
190: ok 6116
190: ok 6117
190: ok 6118
190: ok 6119
190: ok 6120
190: ok 6121
190: ok 6122
190: ok 6123
190: ok 6124
190: ok 6125
190: ok 6126
190: ok 6127
190: ok 6128
190: ok 6129
190: ok 6130
190: ok 6131
190: ok 6132
190: ok 6133
190: ok 6134
190: ok 6135
190: ok 6136
190: ok 6137
190: ok 6138
190: ok 6139
190: ok 6140
190: ok 6141
190: ok 6142
190: ok 6143
190: ok 6144
190: ok 6145
190: ok 6146
190: ok 6147
190: ok 6148
190: ok 6149
190: ok 6150
190: ok 6151
190: ok 6152
190: ok 6153
190: ok 6154
190: ok 6155
190: ok 6156
190: ok 6157
190: ok 6158
190: ok 6159
190: ok 6160
190: ok 6161
190: ok 6162
190: ok 6163
190: ok 6164
190: ok 6165
190: ok 6166
190: ok 6167
190: ok 6168
190: ok 6169
190: ok 6170
190: ok 6171
190: ok 6172
190: ok 6173
190: ok 6174
190: ok 6175
190: ok 6176
190: ok 6177
190: ok 6178
190: ok 6179
190: ok 6180
190: ok 6181
190: ok 6182
190: ok 6183
190: ok 6184
190: ok 6185
190: ok 6186
190: ok 6187
190: ok 6188
190: ok 6189
190: ok 6190
190: ok 6191
190: ok 6192
190: ok 6193
190: ok 6194
190: ok 6195
190: ok 6196
190: ok 6197
190: ok 6198
190: ok 6199
190: ok 6200
190: ok 6201
190: ok 6202
190: ok 6203
190: ok 6204
190: ok 6205
190: ok 6206
190: ok 6207
190: ok 6208
190: ok 6209
190: ok 6210
190: ok 6211
190: ok 6212
190: ok 6213
190: ok 6214
190: ok 6215
190: ok 6216
190: ok 6217
190: ok 6218
190: ok 6219
190: ok 6220
190: ok 6221
190: ok 6222
190: ok 6223
190: ok 6224
190: ok 6225
190: ok 6226
190: ok 6227
190: ok 6228
190: ok 6229
190: ok 6230
190: ok 6231
190: ok 6232
190: ok 6233
190: ok 6234
190: ok 6235
190: ok 6236
190: ok 6237
190: ok 6238
190: ok 6239
190: ok 6240
190: ok 6241
190: ok 6242
190: ok 6243
190: ok 6244
190: ok 6245
190: ok 6246
190: ok 6247
190: ok 6248
190: ok 6249
190: ok 6250
190: ok 6251
190: ok 6252
190: ok 6253
190: ok 6254
190: ok 6255
190: ok 6256
190: ok 6257
190: ok 6258
190: ok 6259
190: ok 6260
190: ok 6261
190: ok 6262
190: ok 6263
190: ok 6264
190: ok 6265
190: ok 6266
190: ok 6267
190: ok 6268
190: ok 6269
190: ok 6270
190: ok 6271
190: ok 6272
190: ok 6273
190: ok 6274
190: ok 6275
190: ok 6276
190: ok 6277
190: ok 6278
190: ok 6279
190: ok 6280
190: ok 6281
190: ok 6282
190: ok 6283
190: ok 6284
190: ok 6285
190: ok 6286
190: ok 6287
190: ok 6288
190: ok 6289
190: ok 6290
190: ok 6291
190: ok 6292
190: ok 6293
190: ok 6294
190: ok 6295
190: ok 6296
190: ok 6297
190: ok 6298
190: ok 6299
190: ok 6300
190: ok 6301
190: ok 6302
190: ok 6303
190: ok 6304
190: ok 6305
190: ok 6306
190: ok 6307
190: ok 6308
190: ok 6309
190: ok 6310
190: ok 6311
190: ok 6312
190: ok 6313
190: ok 6314
190: ok 6315
190: ok 6316
190: ok 6317
190: ok 6318
190: ok 6319
190: ok 6320
190: ok 6321
190: ok 6322
190: ok 6323
190: ok 6324
190: ok 6325
190: ok 6326
190: ok 6327
190: ok 6328
190: ok 6329
190: ok 6330
190: ok 6331
190: ok 6332
190: ok 6333
190: ok 6334
190: ok 6335
190: ok 6336
190: ok 6337
190: ok 6338
190: ok 6339
190: ok 6340
190: ok 6341
190: ok 6342
190: ok 6343
190: ok 6344
190: ok 6345
190: ok 6346
190: ok 6347
190: ok 6348
190: ok 6349
190: ok 6350
190: ok 6351
190: ok 6352
190: ok 6353
190: ok 6354
190: ok 6355
190: ok 6356
190: ok 6357
190: ok 6358
190: ok 6359
190: ok 6360
190: ok 6361
190: ok 6362
190: ok 6363
190: ok 6364
190: ok 6365
190: ok 6366
190: ok 6367
190: ok 6368
190: ok 6369
190: ok 6370
190: ok 6371
190: ok 6372
190: ok 6373
190: ok 6374
190: ok 6375
190: ok 6376
190: ok 6377
190: ok 6378
190: ok 6379
190: ok 6380
190: ok 6381
190: ok 6382
190: ok 6383
190: ok 6384
190: ok 6385
190: ok 6386
190: ok 6387
190: ok 6388
190: ok 6389
190: ok 6390
190: ok 6391
190: ok 6392
190: ok 6393
190: ok 6394
190: ok 6395
190: ok 6396
190: ok 6397
190: ok 6398
190: ok 6399
190: ok 6400
190: ok 6401
190: ok 6402
190: ok 6403
190: ok 6404
190: ok 6405
190: ok 6406
190: ok 6407
190: ok 6408
190: ok 6409
190: ok 6410
190: ok 6411
190: ok 6412
190: ok 6413
190: ok 6414
190: ok 6415
190: ok 6416
190: ok 6417
190: ok 6418
190: ok 6419
190: ok 6420
190: ok 6421
190: ok 6422
190: ok 6423
190: ok 6424
190: ok 6425
190: ok 6426
190: ok 6427
190: ok 6428
190: ok 6429
190: ok 6430
190: ok 6431
190: ok 6432
190: ok 6433
190: ok 6434
190: ok 6435
190: ok 6436
190: ok 6437
190: ok 6438
190: ok 6439
190: ok 6440
190: ok 6441
190: ok 6442
190: ok 6443
190: ok 6444
190: ok 6445
190: ok 6446
190: ok 6447
190: ok 6448
190: ok 6449
190: ok 6450
190: ok 6451
190: ok 6452
190: ok 6453
190: ok 6454
190: ok 6455
190: ok 6456
190: ok 6457
190: ok 6458
190: ok 6459
190: ok 6460
190: ok 6461
190: ok 6462
190: ok 6463
190: ok 6464
190: ok 6465
190: ok 6466
190: ok 6467
190: ok 6468
190: ok 6469
190: ok 6470
190: ok 6471
190: ok 6472
190: ok 6473
190: ok 6474
190: ok 6475
190: ok 6476
190: ok 6477
190: ok 6478
190: ok 6479
190: ok 6480
190: ok 6481
190: ok 6482
190: ok 6483
190: ok 6484
190: ok 6485
190: ok 6486
190: ok 6487
190: ok 6488
190: ok 6489
190: ok 6490
190: ok 6491
190: ok 6492
190: ok 6493
190: ok 6494
190: ok 6495
190: ok 6496
190: ok 6497
190: ok 6498
190: ok 6499
190: ok 6500
190: ok 6501
190: ok 6502
190: ok 6503
190: ok 6504
190: ok 6505
190: ok 6506
190: ok 6507
190: ok 6508
190: ok 6509
190: ok 6510
190: ok 6511
190: ok 6512
190: ok 6513
190: ok 6514
190: ok 6515
190: ok 6516
190: ok 6517
190: ok 6518
190: ok 6519
190: ok 6520
190: ok 6521
190: ok 6522
190: ok 6523
190: ok 6524
190: ok 6525
190: ok 6526
190: ok 6527
190: ok 6528
190: ok 6529
190: ok 6530
190: ok 6531
190: ok 6532
190: ok 6533
190: ok 6534
190: ok 6535
190: ok 6536
190: ok 6537
190: ok 6538
190: ok 6539
190: ok 6540
190: ok 6541
190: ok 6542
190: ok 6543
190: ok 6544
190: ok 6545
190: ok 6546
190: ok 6547
190: ok 6548
190: ok 6549
190: ok 6550
190: ok 6551
190: ok 6552
190: ok 6553
190: ok 6554
190: ok 6555
190: ok 6556
190: ok 6557
190: ok 6558
190: ok 6559
190: ok 6560
190: ok 6561
190: ok 6562
190: ok 6563
190: ok 6564
190: ok 6565
190: ok 6566
190: ok 6567
190: ok 6568
190: ok 6569
190: ok 6570
190: ok 6571
190: ok 6572
190: ok 6573
190: ok 6574
190: ok 6575
190: ok 6576
190: ok 6577
190: ok 6578
190: ok 6579
190: ok 6580
190: ok 6581
190: ok 6582
190: ok 6583
190: ok 6584
190: ok 6585
190: ok 6586
190: ok 6587
190: ok 6588
190: ok 6589
190: ok 6590
190: ok 6591
190: ok 6592
190: ok 6593
190: ok 6594
190: ok 6595
190: ok 6596
190: ok 6597
190: ok 6598
190: ok 6599
190: ok 6600
190: ok 6601
190: ok 6602
190: ok 6603
190: ok 6604
190: ok 6605
190: ok 6606
190: ok 6607
190: ok 6608
190: ok 6609
190: ok 6610
190: ok 6611
190: ok 6612
190: ok 6613
190: ok 6614
190: ok 6615
190: ok 6616
190: ok 6617
190: ok 6618
190: ok 6619
190: ok 6620
190: ok 6621
190: ok 6622
190: ok 6623
190: ok 6624
190: ok 6625
190: ok 6626
190: ok 6627
190: ok 6628
190: ok 6629
190: ok 6630
190: ok 6631
190: ok 6632
190: ok 6633
190: ok 6634
190: ok 6635
190: ok 6636
190: ok 6637
190: ok 6638
190: ok 6639
190: ok 6640
190: ok 6641
190: ok 6642
190: ok 6643
190: ok 6644
190: ok 6645
190: ok 6646
190: ok 6647
190: ok 6648
190: ok 6649
190: ok 6650
190: ok 6651
190: ok 6652
190: ok 6653
190: ok 6654
190: ok 6655
190: ok 6656
190: ok 6657
190: ok 6658
190: ok 6659
190: ok 6660
190: ok 6661
190: ok 6662
190: ok 6663
190: ok 6664
190: ok 6665
190: ok 6666
190: ok 6667
190: ok 6668
190: ok 6669
190: ok 6670
190: ok 6671
190: ok 6672
190: ok 6673
190: ok 6674
190: ok 6675
190: ok 6676
190: ok 6677
190: ok 6678
190: ok 6679
190: ok 6680
190: ok 6681
190: ok 6682
190: ok 6683
190: ok 6684
190: ok 6685
190: ok 6686
190: ok 6687
190: ok 6688
190: ok 6689
190: ok 6690
190: ok 6691
190: ok 6692
190: ok 6693
190: ok 6694
190: ok 6695
190: ok 6696
190: ok 6697
190: ok 6698
190: ok 6699
190: ok 6700
190: ok 6701
190: ok 6702
190: ok 6703
190: ok 6704
190: ok 6705
190: ok 6706
190: ok 6707
190: ok 6708
190: ok 6709
190: ok 6710
190: ok 6711
190: ok 6712
190: ok 6713
190: ok 6714
190: ok 6715
190: ok 6716
190: ok 6717
190: ok 6718
190: ok 6719
190: ok 6720
190: ok 6721
190: ok 6722
190: ok 6723
190: ok 6724
190: ok 6725
190: ok 6726
190: ok 6727
190: ok 6728
190: ok 6729
190: ok 6730
190: ok 6731
190: ok 6732
190: ok 6733
190: ok 6734
190: ok 6735
190: ok 6736
190: ok 6737
190: ok 6738
190: ok 6739
190: ok 6740
190: ok 6741
190: ok 6742
190: ok 6743
190: ok 6744
190: ok 6745
190: ok 6746
190: ok 6747
190: ok 6748
190: ok 6749
190: ok 6750
190: ok 6751
190: ok 6752
190: ok 6753
190: ok 6754
190: ok 6755
190: ok 6756
190: ok 6757
190: ok 6758
190: ok 6759
190: ok 6760
190: ok 6761
190: ok 6762
190: ok 6763
190: ok 6764
190: ok 6765
190: ok 6766
190: ok 6767
190: ok 6768
190: ok 6769
190: ok 6770
190: ok 6771
190: ok 6772
190: ok 6773
190: ok 6774
190: ok 6775
190: ok 6776
190: ok 6777
190: ok 6778
190: ok 6779
190: ok 6780
190: ok 6781
190: ok 6782
190: ok 6783
190: ok 6784
190: ok 6785
190: ok 6786
190: ok 6787
190: ok 6788
190: ok 6789
190: ok 6790
190: ok 6791
190: ok 6792
190: ok 6793
190: ok 6794
190: ok 6795
190: ok 6796
190: ok 6797
190: ok 6798
190: ok 6799
190: ok 6800
190: ok 6801
190: ok 6802
190: ok 6803
190: ok 6804
190: ok 6805
190: ok 6806
190: ok 6807
190: ok 6808
190: ok 6809
190: ok 6810
190: ok 6811
190: ok 6812
190: ok 6813
190: ok 6814
190: ok 6815
190: ok 6816
190: ok 6817
190: ok 6818
190: ok 6819
190: ok 6820
190: ok 6821
190: ok 6822
190: ok 6823
190: ok 6824
190: ok 6825
190: ok 6826
190: ok 6827
190: ok 6828
190: ok 6829
190: ok 6830
190: ok 6831
190: ok 6832
190: ok 6833
190: ok 6834
190: ok 6835
190: ok 6836
190: ok 6837
190: ok 6838
190: ok 6839
190: ok 6840
190: ok 6841
190: ok 6842
190: ok 6843
190: ok 6844
190: ok 6845
190: ok 6846
190: ok 6847
190: ok 6848
190: ok 6849
190: ok 6850
190: ok 6851
190: ok 6852
190: ok 6853
190: ok 6854
190: ok 6855
190: ok 6856
190: ok 6857
190: ok 6858
190: ok 6859
190: ok 6860
190: ok 6861
190: ok 6862
190: ok 6863
190: ok 6864
190: ok 6865
190: ok 6866
190: ok 6867
190: ok 6868
190: ok 6869
190: ok 6870
190: ok 6871
190: ok 6872
190: ok 6873
190: ok 6874
190: ok 6875
190: ok 6876
190: ok 6877
190: ok 6878
190: ok 6879
190: ok 6880
190: ok 6881
190: ok 6882
190: ok 6883
190: ok 6884
190: ok 6885
190: ok 6886
190: ok 6887
190: ok 6888
190: ok 6889
190: ok 6890
190: ok 6891
190: ok 6892
190: ok 6893
190: ok 6894
190: ok 6895
190: ok 6896
190: ok 6897
190: ok 6898
190: ok 6899
190: ok 6900
190: ok 6901
190: ok 6902
190: ok 6903
190: ok 6904
190: ok 6905
190: ok 6906
190: ok 6907
190: ok 6908
190: ok 6909
190: ok 6910
190: ok 6911
190: ok 6912
190: ok 6913
190: ok 6914
190: ok 6915
190: ok 6916
190: ok 6917
190: ok 6918
190: ok 6919
190: ok 6920
190: ok 6921
190: ok 6922
190: ok 6923
190: ok 6924
190: ok 6925
190: ok 6926
190: ok 6927
190: ok 6928
190: ok 6929
190: ok 6930
190: ok 6931
190: ok 6932
190: ok 6933
190: ok 6934
190: ok 6935
190: ok 6936
190: ok 6937
190: ok 6938
190: ok 6939
190: ok 6940
190: ok 6941
190: ok 6942
190: ok 6943
190: ok 6944
190: ok 6945
190: ok 6946
190: ok 6947
190: ok 6948
190: ok 6949
190: ok 6950
190: ok 6951
190: ok 6952
190: ok 6953
190: ok 6954
190: ok 6955
190: ok 6956
190: ok 6957
190: ok 6958
190: ok 6959
190: ok 6960
190: ok 6961
190: ok 6962
190: ok 6963
190: ok 6964
190: ok 6965
190: ok 6966
190: ok 6967
190: ok 6968
190: ok 6969
190: ok 6970
190: ok 6971
190: ok 6972
190: ok 6973
190: ok 6974
190: ok 6975
190: ok 6976
190: ok 6977
190: ok 6978
190: ok 6979
190: ok 6980
190: ok 6981
190: ok 6982
190: ok 6983
190: ok 6984
190: ok 6985
190: ok 6986
190: ok 6987
190: ok 6988
190: ok 6989
190: ok 6990
190: ok 6991
190: ok 6992
190: ok 6993
190: ok 6994
190: ok 6995
190: ok 6996
190: ok 6997
190: ok 6998
190: ok 6999
190: ok 7000
190: ok 7001
190: ok 7002
190: ok 7003
190: ok 7004
190: ok 7005
190: ok 7006
190: ok 7007
190: ok 7008
190: ok 7009
190: ok 7010
190: ok 7011
190: ok 7012
190: ok 7013
190: ok 7014
190: ok 7015
190: ok 7016
190: ok 7017
190: ok 7018
190: ok 7019
190: ok 7020
190: ok 7021
190: ok 7022
190: ok 7023
190: ok 7024
190: ok 7025
190: ok 7026
190: ok 7027
190: ok 7028
190: ok 7029
190: ok 7030
190: ok 7031
190: ok 7032
190: ok 7033
190: ok 7034
190: ok 7035
190: ok 7036
190: ok 7037
190: ok 7038
190: ok 7039
190: ok 7040
190: ok 7041
190: ok 7042
190: ok 7043
190: ok 7044
190: ok 7045
190: ok 7046
190: ok 7047
190: ok 7048
190: ok 7049
190: ok 7050
190: ok 7051
190: ok 7052
190: ok 7053
190: ok 7054
190: ok 7055
190: ok 7056
190: ok 7057
190: ok 7058
190: ok 7059
190: ok 7060
190: ok 7061
190: ok 7062
190: ok 7063
190: ok 7064
190: ok 7065
190: ok 7066
190: ok 7067
190: ok 7068
190: ok 7069
190: ok 7070
190: ok 7071
190: ok 7072
190: ok 7073
190: ok 7074
190: ok 7075
190: ok 7076
190: ok 7077
190: ok 7078
190: ok 7079
190: ok 7080
190: ok 7081
190: ok 7082
190: ok 7083
190: ok 7084
190: ok 7085
190: ok 7086
190: ok 7087
190: ok 7088
190: ok 7089
190: ok 7090
190: ok 7091
190: ok 7092
190: ok 7093
190: ok 7094
190: ok 7095
190: ok 7096
190: ok 7097
190: ok 7098
190: ok 7099
190: ok 7100
190: ok 7101
190: ok 7102
190: ok 7103
190: ok 7104
190: ok 7105
190: ok 7106
190: ok 7107
190: ok 7108
190: ok 7109
190: ok 7110
190: ok 7111
190: ok 7112
190: ok 7113
190: ok 7114
190: ok 7115
190: ok 7116
190: ok 7117
190: ok 7118
190: ok 7119
190: ok 7120
190: ok 7121
190: ok 7122
190: ok 7123
190: ok 7124
190: ok 7125
190: ok 7126
190: ok 7127
190: ok 7128
190: ok 7129
190: ok 7130
190: ok 7131
190: ok 7132
190: ok 7133
190: ok 7134
190: ok 7135
190: ok 7136
190: ok 7137
190: ok 7138
190: ok 7139
190: ok 7140
190: ok 7141
190: ok 7142
190: ok 7143
190: ok 7144
190: ok 7145
190: ok 7146
190: ok 7147
190: ok 7148
190: ok 7149
190: ok 7150
190: ok 7151
190: ok 7152
190: ok 7153
190: ok 7154
190: ok 7155
190: ok 7156
190: ok 7157
190: ok 7158
190: ok 7159
190: ok 7160
190: ok 7161
190: ok 7162
190: ok 7163
190: ok 7164
190: ok 7165
190: ok 7166
190: ok 7167
190: ok 7168
190: ok 7169
190: ok 7170
190: ok 7171
190: ok 7172
190: ok 7173
190: ok 7174
190: ok 7175
190: ok 7176
190: ok 7177
190: ok 7178
190: ok 7179
190: ok 7180
190: ok 7181
190: ok 7182
190: ok 7183
190: ok 7184
190: ok 7185
190: ok 7186
190: ok 7187
190: ok 7188
190: ok 7189
190: ok 7190
190: ok 7191
190: ok 7192
190: ok 7193
190: ok 7194
190: ok 7195
190: ok 7196
190: ok 7197
190: ok 7198
190: ok 7199
190: ok 7200
190: ok 7201
190: ok 7202
190: ok 7203
190: ok 7204
190: ok 7205
190: ok 7206
190: ok 7207
190: ok 7208
190: ok 7209
190: ok 7210
190: ok 7211
190: ok 7212
190: ok 7213
190: ok 7214
190: ok 7215
190: ok 7216
190: ok 7217
190: ok 7218
190: ok 7219
190: ok 7220
190: ok 7221
190: ok 7222
190: ok 7223
190: ok 7224
190: ok 7225
190: ok 7226
190: ok 7227
190: ok 7228
190: ok 7229
190: ok 7230
190: ok 7231
190: ok 7232
190: ok 7233
190: ok 7234
190: ok 7235
190: ok 7236
190: ok 7237
190: ok 7238
190: ok 7239
190: ok 7240
190: ok 7241
190: ok 7242
190: ok 7243
190: ok 7244
190: ok 7245
190: ok 7246
190: ok 7247
190: ok 7248
190: ok 7249
190: ok 7250
190: ok 7251
190: ok 7252
190: ok 7253
190: ok 7254
190: ok 7255
190: ok 7256
190: ok 7257
190: ok 7258
190: ok 7259
190: ok 7260
190: ok 7261
190: ok 7262
190: ok 7263
190: ok 7264
190: ok 7265
190: ok 7266
190: ok 7267
190: ok 7268
190: ok 7269
190: ok 7270
190: ok 7271
190: ok 7272
190: ok 7273
190: ok 7274
190: ok 7275
190: ok 7276
190: ok 7277
190: ok 7278
190: ok 7279
190: ok 7280
190: ok 7281
190: ok 7282
190: ok 7283
190: ok 7284
190: ok 7285
190: ok 7286
190: ok 7287
190: ok 7288
190: ok 7289
190: ok 7290
190: ok 7291
190: ok 7292
190: ok 7293
190: ok 7294
190: ok 7295
190: ok 7296
190: ok 7297
190: ok 7298
190: ok 7299
190: ok 7300
190: ok 7301
190: ok 7302
190: ok 7303
190: ok 7304
190: ok 7305
190: ok 7306
190: ok 7307
190: ok 7308
190: ok 7309
190: ok 7310
190: ok 7311
190: ok 7312
190: ok 7313
190: ok 7314
190: ok 7315
190: ok 7316
190: ok 7317
190: ok 7318
190: ok 7319
190: ok 7320
190: ok 7321
190: ok 7322
190: ok 7323
190: ok 7324
190: ok 7325
190: ok 7326
190: ok 7327
190: ok 7328
190: ok 7329
190: ok 7330
190: ok 7331
190: ok 7332
190: ok 7333
190: ok 7334
190: ok 7335
190: ok 7336
190: ok 7337
190: ok 7338
190: ok 7339
190: ok 7340
190: ok 7341
190: ok 7342
190: ok 7343
190: ok 7344
190: ok 7345
190: ok 7346
190: ok 7347
190: ok 7348
190: ok 7349
190: ok 7350
190: ok 7351
190: ok 7352
190: ok 7353
190: ok 7354
190: ok 7355
190: ok 7356
190: ok 7357
190: ok 7358
190: ok 7359
190: ok 7360
190: ok 7361
190: ok 7362
190: ok 7363
190: ok 7364
190: ok 7365
190: ok 7366
190: ok 7367
190: ok 7368
190: ok 7369
190: ok 7370
190: ok 7371
190: ok 7372
190: ok 7373
190: ok 7374
190: ok 7375
190: ok 7376
190: ok 7377
190: ok 7378
190: ok 7379
190: ok 7380
190: ok 7381
190: ok 7382
190: ok 7383
190: ok 7384
190: ok 7385
190: ok 7386
190: ok 7387
190: ok 7388
190: ok 7389
190: ok 7390
190: ok 7391
190: ok 7392
190: ok 7393
190: ok 7394
190: ok 7395
190: ok 7396
190: ok 7397
190: ok 7398
190: ok 7399
190: ok 7400
190: ok 7401
190: ok 7402
190: ok 7403
190: ok 7404
190: ok 7405
190: ok 7406
190: ok 7407
190: ok 7408
190: ok 7409
190: ok 7410
190: ok 7411
190: ok 7412
190: ok 7413
190: ok 7414
190: ok 7415
190: ok 7416
190: ok 7417
190: ok 7418
190: ok 7419
190: ok 7420
190: ok 7421
190: ok 7422
190: ok 7423
190: ok 7424
190: ok 7425
190: ok 7426
190: ok 7427
190: ok 7428
190: ok 7429
190: ok 7430
190: ok 7431
190: ok 7432
190: ok 7433
190: ok 7434
190: ok 7435
190: ok 7436
190: ok 7437
190: ok 7438
190: ok 7439
190: ok 7440
190: ok 7441
190: ok 7442
190: ok 7443
190: ok 7444
190: ok 7445
190: ok 7446
190: ok 7447
190: ok 7448
190: ok 7449
190: ok 7450
190: ok 7451
190: ok 7452
190: ok 7453
190: ok 7454
190: ok 7455
190: ok 7456
190: ok 7457
190: ok 7458
190: ok 7459
190: ok 7460
190: ok 7461
190: ok 7462
190: ok 7463
190: ok 7464
190: ok 7465
190: ok 7466
190: ok 7467
190: ok 7468
190: ok 7469
190: ok 7470
190: ok 7471
190: ok 7472
190: ok 7473
190: ok 7474
190: ok 7475
190: ok 7476
190: ok 7477
190: ok 7478
190: ok 7479
190: ok 7480
190: ok 7481
190: ok 7482
190: ok 7483
190: ok 7484
190: ok 7485
190: ok 7486
190: ok 7487
190: ok 7488
190: ok 7489
190: ok 7490
190: ok 7491
190: ok 7492
190: ok 7493
190: ok 7494
190: ok 7495
190: ok 7496
190: ok 7497
190: ok 7498
190: ok 7499
190: ok 7500
190: ok 7501
190: ok 7502
190: ok 7503
190: ok 7504
190: ok 7505
190: ok 7506
190: ok 7507
190: ok 7508
190: ok 7509
190: ok 7510
190: ok 7511
190: ok 7512
190: ok 7513
190: ok 7514
190: ok 7515
190: ok 7516
190: ok 7517
190: ok 7518
190: ok 7519
190: ok 7520
190: ok 7521
190: ok 7522
190: ok 7523
190: ok 7524
190: ok 7525
190: ok 7526
190: ok 7527
190: ok 7528
190: ok 7529
190: ok 7530
190: ok 7531
190: ok 7532
190: ok 7533
190: ok 7534
190: ok 7535
190: ok 7536
190: ok 7537
190: ok 7538
190: ok 7539
190: ok 7540
190: ok 7541
190: ok 7542
190: ok 7543
190: ok 7544
190: ok 7545
190: ok 7546
190: ok 7547
190: ok 7548
190: ok 7549
190: ok 7550
190: ok 7551
190: ok 7552
190: ok 7553
190: ok 7554
190: ok 7555
190: ok 7556
190: ok 7557
190: ok 7558
190: ok 7559
190: ok 7560
190: ok 7561
190: ok 7562
190: ok 7563
190: ok 7564
190: ok 7565
190: ok 7566
190: ok 7567
190: ok 7568
190: ok 7569
190: ok 7570
190: ok 7571
190: ok 7572
190: ok 7573
190: ok 7574
190: ok 7575
190: ok 7576
190: ok 7577
190: ok 7578
190: ok 7579
190: ok 7580
190: ok 7581
190: ok 7582
190: ok 7583
190: ok 7584
190: ok 7585
190: ok 7586
190: ok 7587
190: ok 7588
190: ok 7589
190: ok 7590
190: ok 7591
190: ok 7592
190: ok 7593
190: ok 7594
190: ok 7595
190: ok 7596
190: ok 7597
190: ok 7598
190: ok 7599
190: ok 7600
190: ok 7601
190: ok 7602
190: ok 7603
190: ok 7604
190: ok 7605
190: ok 7606
190: ok 7607
190: ok 7608
190: ok 7609
190: ok 7610
190: ok 7611
190: ok 7612
190: ok 7613
190: ok 7614
190: ok 7615
190: ok 7616
190: ok 7617
190: ok 7618
190: ok 7619
190: ok 7620
190: ok 7621
190: ok 7622
190: ok 7623
190: ok 7624
190: ok 7625
190: ok 7626
190: ok 7627
190: ok 7628
190: ok 7629
190: ok 7630
190: ok 7631
190: ok 7632
190: ok 7633
190: ok 7634
190: ok 7635
190: ok 7636
190: ok 7637
190: ok 7638
190: ok 7639
190: ok 7640
190: ok 7641
190: ok 7642
190: ok 7643
190: ok 7644
190: ok 7645
190: ok 7646
190: ok 7647
190: ok 7648
190: ok 7649
190: ok 7650
190: ok 7651
190: ok 7652
190: ok 7653
190: ok 7654
190: ok 7655
190: ok 7656
190: ok 7657
190: ok 7658
190: ok 7659
190: ok 7660
190: ok 7661
190: ok 7662
190: ok 7663
190: ok 7664
190: ok 7665
190: ok 7666
190: ok 7667
190: ok 7668
190: ok 7669
190: ok 7670
190: ok 7671
190: ok 7672
190: ok 7673
190: ok 7674
190: ok 7675
190: ok 7676
190: ok 7677
190: ok 7678
190: ok 7679
190: ok 7680
190: ok 7681
190: ok 7682
190: ok 7683
190: ok 7684
190: ok 7685
190: ok 7686
190: ok 7687
190: ok 7688
190: ok 7689
190: ok 7690
190: ok 7691
190: ok 7692
190: ok 7693
190: ok 7694
190: ok 7695
190: ok 7696
190: ok 7697
190: ok 7698
190: ok 7699
190: ok 7700
190: ok 7701
190: ok 7702
190: ok 7703
190: ok 7704
190: ok 7705
190: ok 7706
190: ok 7707
190: ok 7708
190: ok 7709
190: ok 7710
190: ok 7711
190: ok 7712
190: ok 7713
190: ok 7714
190: ok 7715
190: ok 7716
190: ok 7717
190: ok 7718
190: ok 7719
190: ok 7720
190: ok 7721
190: ok 7722
190: ok 7723
190: ok 7724
190: ok 7725
190: ok 7726
190: ok 7727
190: ok 7728
190: ok 7729
190: ok 7730
190: ok 7731
190: ok 7732
190: ok 7733
190: ok 7734
190: ok 7735
190: ok 7736
190: ok 7737
190: ok 7738
190: ok 7739
190: ok 7740
190: ok 7741
190: ok 7742
190: ok 7743
190: ok 7744
190: ok 7745
190: ok 7746
190: ok 7747
190: ok 7748
190: ok 7749
190: ok 7750
190: ok 7751
190: ok 7752
190: ok 7753
190: ok 7754
190: ok 7755
190: ok 7756
190: ok 7757
190: ok 7758
190: ok 7759
190: ok 7760
190: ok 7761
190: ok 7762
190: ok 7763
190: ok 7764
190: ok 7765
190: ok 7766
190: ok 7767
190: ok 7768
190: ok 7769
190: ok 7770
190: ok 7771
190: ok 7772
190: ok 7773
190: ok 7774
190: ok 7775
190: ok 7776
190: ok 7777
190: ok 7778
190: ok 7779
190: ok 7780
190: ok 7781
190: ok 7782
190: ok 7783
190: ok 7784
190: ok 7785
190: ok 7786
190: ok 7787
190: ok 7788
190: ok 7789
190: ok 7790
190: ok 7791
190: ok 7792
190: ok 7793
190: ok 7794
190: ok 7795
190: ok 7796
190: ok 7797
190: ok 7798
190: ok 7799
190: ok 7800
190: ok 7801
190: ok 7802
190: ok 7803
190: ok 7804
190: ok 7805
190: ok 7806
190: ok 7807
190: ok 7808
190: ok 7809
190: ok 7810
190: ok 7811
190: ok 7812
190: ok 7813
190: ok 7814
190: ok 7815
190: ok 7816
190: ok 7817
190: ok 7818
190: ok 7819
190: ok 7820
190: ok 7821
190: ok 7822
190: ok 7823
190: ok 7824
190: ok 7825
190: ok 7826
190: ok 7827
190: ok 7828
190: ok 7829
190: ok 7830
190: ok 7831
190: ok 7832
190: ok 7833
190: ok 7834
190: ok 7835
190: ok 7836
190: ok 7837
190: ok 7838
190: ok 7839
190: ok 7840
190: ok 7841
190: ok 7842
190: ok 7843
190: ok 7844
190: ok 7845
190: ok 7846
190: ok 7847
190: ok 7848
190: ok 7849
190: ok 7850
190: ok 7851
190: ok 7852
190: ok 7853
190: ok 7854
190: ok 7855
190: ok 7856
190: ok 7857
190: ok 7858
190: ok 7859
190: ok 7860
190: ok 7861
190: ok 7862
190: ok 7863
190: ok 7864
190: ok 7865
190: ok 7866
190: ok 7867
190: ok 7868
190: ok 7869
190: ok 7870
190: ok 7871
190: ok 7872
190: ok 7873
190: ok 7874
190: ok 7875
190: ok 7876
190: ok 7877
190: ok 7878
190: ok 7879
190: ok 7880
190: ok 7881
190: ok 7882
190: ok 7883
190: ok 7884
190: ok 7885
190: ok 7886
190: ok 7887
190: ok 7888
190: ok 7889
190: ok 7890
190: ok 7891
190: ok 7892
190: ok 7893
190: ok 7894
190: ok 7895
190: ok 7896
190: ok 7897
190: ok 7898
190: ok 7899
190: ok 7900
190: ok 7901
190: ok 7902
190: ok 7903
190: ok 7904
190: ok 7905
190: ok 7906
190: ok 7907
190: ok 7908
190: ok 7909
190: ok 7910
190: ok 7911
190: ok 7912
190: ok 7913
190: ok 7914
190: ok 7915
190: ok 7916
190: ok 7917
190: ok 7918
190: ok 7919
190: ok 7920
190: ok 7921
190: ok 7922
190: ok 7923
190: ok 7924
190: ok 7925
190: ok 7926
190: ok 7927
190: ok 7928
190: ok 7929
190: ok 7930
190: ok 7931
190: ok 7932
190: ok 7933
190: ok 7934
190: ok 7935
190: ok 7936
190: ok 7937
190: ok 7938
190: ok 7939
190: ok 7940
190: ok 7941
190: ok 7942
190: ok 7943
190: ok 7944
190: ok 7945
190: ok 7946
190: ok 7947
190: ok 7948
190: ok 7949
190: ok 7950
190: ok 7951
190: ok 7952
190: ok 7953
190: ok 7954
190: ok 7955
190: ok 7956
190: ok 7957
190: ok 7958
190: ok 7959
190: ok 7960
190: ok 7961
190: ok 7962
190: ok 7963
190: ok 7964
190: ok 7965
190: ok 7966
190: ok 7967
190: ok 7968
190: ok 7969
190: ok 7970
190: ok 7971
190: ok 7972
190: ok 7973
190: ok 7974
190: ok 7975
190: ok 7976
190: ok 7977
190: ok 7978
190: ok 7979
190: ok 7980
190: ok 7981
190: ok 7982
190: ok 7983
190: ok 7984
190: ok 7985
190: ok 7986
190: ok 7987
190: ok 7988
190: ok 7989
190: ok 7990
190: ok 7991
190: ok 7992
190: ok 7993
190: ok 7994
190: ok 7995
190: ok 7996
190: ok 7997
190: ok 7998
190: ok 7999
190: ok 8000
190: ok 8001
190: ok 8002
190: ok 8003
190: ok 8004
190: ok 8005
190: ok 8006
190: ok 8007
190: ok 8008
190: ok 8009
190: ok 8010
190: ok 8011
190: ok 8012
190: ok 8013
190: ok 8014
190: ok 8015
190: ok 8016
190: ok 8017
190: ok 8018
190: ok 8019
190: ok 8020
190: ok 8021
190: ok 8022
190: ok 8023
190: ok 8024
190: ok 8025
190: ok 8026
190: ok 8027
190: ok 8028
190: ok 8029
190: ok 8030
190: ok 8031
190: ok 8032
190: ok 8033
190: ok 8034
190: ok 8035
190: ok 8036
190: ok 8037
190: ok 8038
190: ok 8039
190: ok 8040
190: ok 8041
190: ok 8042
190: ok 8043
190: ok 8044
190: ok 8045
190: ok 8046
190: ok 8047
190: ok 8048
190: ok 8049
190: ok 8050
190: ok 8051
190: ok 8052
190: ok 8053
190: ok 8054
190: ok 8055
190: ok 8056
190: ok 8057
190: ok 8058
190: ok 8059
190: ok 8060
190: ok 8061
190: ok 8062
190: ok 8063
190: ok 8064
190: ok 8065
190: ok 8066
190: ok 8067
190: ok 8068
190: ok 8069
190: ok 8070
190: ok 8071
190: ok 8072
190: ok 8073
190: ok 8074
190: ok 8075
190: ok 8076
190: ok 8077
190: ok 8078
190: ok 8079
190: ok 8080
190: ok 8081
190: ok 8082
190: ok 8083
190: ok 8084
190: ok 8085
190: ok 8086
190: ok 8087
190: ok 8088
190: ok 8089
190: ok 8090
190: ok 8091
190: ok 8092
190: ok 8093
190: ok 8094
190: ok 8095
190: ok 8096
190: ok 8097
190: ok 8098
190: ok 8099
190: ok 8100
190: ok 8101
190: ok 8102
190: ok 8103
190: ok 8104
190: ok 8105
190: ok 8106
190: ok 8107
190: ok 8108
190: ok 8109
190: ok 8110
190: ok 8111
190: ok 8112
190: ok 8113
190: ok 8114
190: ok 8115
190: ok 8116
190: ok 8117
190: ok 8118
190: ok 8119
190: ok 8120
190: ok 8121
190: ok 8122
190: ok 8123
190: ok 8124
190: ok 8125
190: ok 8126
190: ok 8127
190: ok 8128
190: ok 8129
190: ok 8130
190: ok 8131
190: ok 8132
190: ok 8133
190: ok 8134
190: ok 8135
190: ok 8136
190: ok 8137
190: ok 8138
190: ok 8139
190: ok 8140
190: ok 8141
190: ok 8142
190: ok 8143
190: ok 8144
190: ok 8145
190: ok 8146
190: ok 8147
190: ok 8148
190: ok 8149
190: ok 8150
190: ok 8151
190: ok 8152
190: ok 8153
190: ok 8154
190: ok 8155
190: ok 8156
190: ok 8157
190: ok 8158
190: ok 8159
190: ok 8160
190: ok 8161
190: ok 8162
190: ok 8163
190: ok 8164
190: ok 8165
190: ok 8166
190: ok 8167
190: ok 8168
190: ok 8169
190: ok 8170
190: ok 8171
190: ok 8172
190: ok 8173
190: ok 8174
190: ok 8175
190: ok 8176
190: ok 8177
190: ok 8178
190: ok 8179
190: ok 8180
190: ok 8181
190: ok 8182
190: ok 8183
190: ok 8184
190: ok 8185
190: ok 8186
190: ok 8187
190: ok 8188
190: ok 8189
190: ok 8190
190: ok 8191
190: ok 8192
190: ok 8193
190: ok 8194
190: ok 8195
190: ok 8196
190: ok 8197
190: ok 8198
190: ok 8199
190: ok 8200
190: ok 8201
190: ok 8202
190: ok 8203
190: ok 8204
190: ok 8205
190: ok 8206
190: ok 8207
190: ok 8208
190: ok 8209
190: ok 8210
190: ok 8211
190: ok 8212
190: ok 8213
190: ok 8214
190: ok 8215
190: ok 8216
190: ok 8217
190: ok 8218
190: ok 8219
190: ok 8220
190: ok 8221
190: ok 8222
190: ok 8223
190: ok 8224
190: ok 8225
190: ok 8226
190: ok 8227
190: ok 8228
190: ok 8229
190: ok 8230
190: ok 8231
190: ok 8232
190: ok 8233
190: ok 8234
190: ok 8235
190: ok 8236
190: ok 8237
190: ok 8238
190: ok 8239
190: ok 8240
190: ok 8241
190: ok 8242
190: ok 8243
190: ok 8244
190: ok 8245
190: ok 8246
190: ok 8247
190: ok 8248
190: ok 8249
190: ok 8250
190: ok 8251
190: ok 8252
190: ok 8253
190: ok 8254
190: ok 8255
190: ok 8256
190: ok 8257
190: ok 8258
190: ok 8259
190: ok 8260
190: ok 8261
190: ok 8262
190: ok 8263
190: ok 8264
190: ok 8265
190: ok 8266
190: ok 8267
190: ok 8268
190: ok 8269
190: ok 8270
190: ok 8271
190: ok 8272
190: ok 8273
190: ok 8274
190: ok 8275
190: ok 8276
190: ok 8277
190: ok 8278
190: ok 8279
190: ok 8280
190: ok 8281
190: ok 8282
190: ok 8283
190: ok 8284
190: ok 8285
190: ok 8286
190: ok 8287
190: ok 8288
190: ok 8289
190: ok 8290
190: ok 8291
190: ok 8292
190: ok 8293
190: ok 8294
190: ok 8295
190: ok 8296
190: ok 8297
190: ok 8298
190: ok 8299
190: ok 8300
190: ok 8301
190: ok 8302
190: ok 8303
190: ok 8304
190: ok 8305
190: ok 8306
190: ok 8307
190: ok 8308
190: ok 8309
190: ok 8310
190: ok 8311
190: ok 8312
190: ok 8313
190: ok 8314
190: ok 8315
190: ok 8316
190: ok 8317
190: ok 8318
190: ok 8319
190: ok 8320
190: ok 8321
190: ok 8322
190: ok 8323
190: ok 8324
190: ok 8325
190: ok 8326
190: ok 8327
190: ok 8328
190: ok 8329
190: ok 8330
190: ok 8331
190: ok 8332
190: ok 8333
190: ok 8334
190: ok 8335
190: ok 8336
190: ok 8337
190: ok 8338
190: ok 8339
190: ok 8340
190: ok 8341
190: ok 8342
190: ok 8343
190: ok 8344
190: ok 8345
190: ok 8346
190: ok 8347
190: ok 8348
190: ok 8349
190: ok 8350
190: ok 8351
190: ok 8352
190: ok 8353
190: ok 8354
190: ok 8355
190: ok 8356
190: ok 8357
190: ok 8358
190: ok 8359
190: ok 8360
190: ok 8361
190: ok 8362
190: ok 8363
190: ok 8364
190: ok 8365
190: ok 8366
190: ok 8367
190: ok 8368
190: ok 8369
190: ok 8370
190: ok 8371
190: ok 8372
190: ok 8373
190: ok 8374
190: ok 8375
190: ok 8376
190: ok 8377
190: ok 8378
190: ok 8379
190: ok 8380
190: ok 8381
190: ok 8382
190: ok 8383
190: ok 8384
190: ok 8385
190: ok 8386
190: ok 8387
190: ok 8388
190: ok 8389
190: ok 8390
190: ok 8391
190: ok 8392
190: ok 8393
190: ok 8394
190: ok 8395
190: ok 8396
190: ok 8397
190: ok 8398
190: ok 8399
190: ok 8400
190: ok 8401
190: ok 8402
190: ok 8403
190: ok 8404
190: ok 8405
190: ok 8406
190: ok 8407
190: ok 8408
190: ok 8409
190: ok 8410
190: ok 8411
190: ok 8412
190: ok 8413
190: ok 8414
190: ok 8415
190: ok 8416
190: ok 8417
190: ok 8418
190: ok 8419
190: ok 8420
190: ok 8421
190: ok 8422
190: ok 8423
190: ok 8424
190: ok 8425
190: ok 8426
190: ok 8427
190: ok 8428
190: ok 8429
190: ok 8430
190: ok 8431
190: ok 8432
190: ok 8433
190: ok 8434
190: ok 8435
190: ok 8436
190: ok 8437
190: ok 8438
190: ok 8439
190: ok 8440
190: ok 8441
190: ok 8442
190: ok 8443
190: ok 8444
190: ok 8445
190: ok 8446
190: ok 8447
190: ok 8448
190: ok 8449
190: ok 8450
190: ok 8451
190: ok 8452
190: ok 8453
190: ok 8454
190: ok 8455
190: ok 8456
190: ok 8457
190: ok 8458
190: ok 8459
190: ok 8460
190: ok 8461
190: ok 8462
190: ok 8463
190: ok 8464
190: ok 8465
190: ok 8466
190: ok 8467
190: ok 8468
190: ok 8469
190: ok 8470
190: ok 8471
190: ok 8472
190: ok 8473
190: ok 8474
190: ok 8475
190: ok 8476
190: ok 8477
190: ok 8478
190: ok 8479
190: ok 8480
190: ok 8481
190: ok 8482
190: ok 8483
190: ok 8484
190: ok 8485
190: ok 8486
190: ok 8487
190: ok 8488
190: ok 8489
190: ok 8490
190: ok 8491
190: ok 8492
190: ok 8493
190: ok 8494
190: ok 8495
190: ok 8496
190: ok 8497
190: ok 8498
190: ok 8499
190: ok 8500
190: ok 8501
190: ok 8502
190: ok 8503
190: ok 8504
190: ok 8505
190: ok 8506
190: ok 8507
190: ok 8508
190: ok 8509
190: ok 8510
190: ok 8511
190: ok 8512
190: ok 8513
190: ok 8514
190: ok 8515
190: ok 8516
190: ok 8517
190: ok 8518
190: ok 8519
190: ok 8520
190: ok 8521
190: ok 8522
190: ok 8523
190: ok 8524
190: ok 8525
190: ok 8526
190: ok 8527
190: ok 8528
190: ok 8529
190: ok 8530
190: ok 8531
190: ok 8532
190: ok 8533
190: ok 8534
190: ok 8535
190: ok 8536
190: ok 8537
190: ok 8538
190: ok 8539
190: ok 8540
190: ok 8541
190: ok 8542
190: ok 8543
190: ok 8544
190: ok 8545
190: ok 8546
190: ok 8547
190: ok 8548
190: ok 8549
190: ok 8550
190: ok 8551
190: ok 8552
190: ok 8553
190: ok 8554
190: ok 8555
190: ok 8556
190: ok 8557
190: ok 8558
190: ok 8559
190: ok 8560
190: ok 8561
190: ok 8562
190: ok 8563
190: ok 8564
190: ok 8565
190: ok 8566
190: ok 8567
190: ok 8568
190: ok 8569
190: ok 8570
190: ok 8571
190: ok 8572
190: ok 8573
190: ok 8574
190: ok 8575
190: ok 8576
190: ok 8577
190: ok 8578
190: ok 8579
190: ok 8580
190: ok 8581
190: ok 8582
190: ok 8583
190: ok 8584
190: ok 8585
190: ok 8586
190: ok 8587
190: ok 8588
190: ok 8589
190: ok 8590
190: ok 8591
190: ok 8592
190: ok 8593
190: ok 8594
190: ok 8595
190: ok 8596
190: ok 8597
190: ok 8598
190: ok 8599
190: ok 8600
190: ok 8601
190: ok 8602
190: ok 8603
190: ok 8604
190: ok 8605
190: ok 8606
190: ok 8607
190: ok 8608
190: ok 8609
190: ok 8610
190: ok 8611
190: ok 8612
190: ok 8613
190: ok 8614
190: ok 8615
190: ok 8616
190: ok 8617
190: ok 8618
190: ok 8619
190: ok 8620
190: ok 8621
190: ok 8622
190: ok 8623
190: ok 8624
190: ok 8625
190: ok 8626
190: ok 8627
190: ok 8628
190: ok 8629
190: ok 8630
190: ok 8631
190: ok 8632
190: ok 8633
190: ok 8634
190: ok 8635
190: ok 8636
190: ok 8637
190: ok 8638
190: ok 8639
190: ok 8640
190: ok 8641
190: ok 8642
190: ok 8643
190: ok 8644
190: ok 8645
190: ok 8646
190: ok 8647
190: ok 8648
190: ok 8649
190: ok 8650
190: ok 8651
190: ok 8652
190: ok 8653
190: ok 8654
190: ok 8655
190: ok 8656
190: ok 8657
190: ok 8658
190: ok 8659
190: ok 8660
190: ok 8661
190: ok 8662
190: ok 8663
190: ok 8664
190: ok 8665
190: ok 8666
190: ok 8667
190: ok 8668
190: ok 8669
190: ok 8670
190: ok 8671
190: ok 8672
190: ok 8673
190: ok 8674
190: ok 8675
190: ok 8676
190: ok 8677
190: ok 8678
190: ok 8679
190: ok 8680
190: ok 8681
190: ok 8682
190: ok 8683
190: ok 8684
190: ok 8685
190: ok 8686
190: ok 8687
190: ok 8688
190: ok 8689
190: ok 8690
190: ok 8691
190: ok 8692
190: ok 8693
190: ok 8694
190: ok 8695
190: ok 8696
190: ok 8697
190: ok 8698
190: ok 8699
190: ok 8700
190: ok 8701
190: ok 8702
190: ok 8703
190: ok 8704
190: ok 8705
190: ok 8706
190: ok 8707
190: ok 8708
190: ok 8709
190: ok 8710
190: ok 8711
190: ok 8712
190: ok 8713
190: ok 8714
190: ok 8715
190: ok 8716
190: ok 8717
190: ok 8718
190: ok 8719
190: ok 8720
190: ok 8721
190: ok 8722
190: ok 8723
190: ok 8724
190: ok 8725
190: ok 8726
190: ok 8727
190: ok 8728
190: ok 8729
190: ok 8730
190: ok 8731
190: ok 8732
190: ok 8733
190: ok 8734
190: ok 8735
190: ok 8736
190: ok 8737
190: ok 8738
190: ok 8739
190: ok 8740
190: ok 8741
190: ok 8742
190: ok 8743
190: ok 8744
190: ok 8745
190: ok 8746
190: ok 8747
190: ok 8748
190: ok 8749
190: ok 8750
190: ok 8751
190: ok 8752
190: ok 8753
190: ok 8754
190: ok 8755
190: ok 8756
190: ok 8757
190: ok 8758
190: ok 8759
190: ok 8760
190: ok 8761
190: ok 8762
190: ok 8763
190: ok 8764
190: ok 8765
190: ok 8766
190: ok 8767
190: ok 8768
190: ok 8769
190: ok 8770
190: ok 8771
190: ok 8772
190: ok 8773
190: ok 8774
190: ok 8775
190: ok 8776
190: ok 8777
190: ok 8778
190: ok 8779
190: ok 8780
190: ok 8781
190: ok 8782
190: ok 8783
190: ok 8784
190: ok 8785
190: ok 8786
190: ok 8787
190: ok 8788
190: ok 8789
190: ok 8790
190: ok 8791
190: ok 8792
190: ok 8793
190: ok 8794
190: ok 8795
190: ok 8796
190: ok 8797
190: ok 8798
190: ok 8799
190: ok 8800
190: ok 8801
190: ok 8802
190: ok 8803
190: ok 8804
190: ok 8805
190: ok 8806
190: ok 8807
190: ok 8808
190: ok 8809
190: ok 8810
190: ok 8811
190: ok 8812
190: ok 8813
190: ok 8814
190: ok 8815
190: ok 8816
190: ok 8817
190: ok 8818
190: ok 8819
190: ok 8820
190: ok 8821
190: ok 8822
190: ok 8823
190: ok 8824
190: ok 8825
190: ok 8826
190: ok 8827
190: ok 8828
190: ok 8829
190: ok 8830
190: ok 8831
190: ok 8832
190: ok 8833
190: ok 8834
190: ok 8835
190: ok 8836
190: ok 8837
190: ok 8838
190: ok 8839
190: ok 8840
190: ok 8841
190: ok 8842
190: ok 8843
190: ok 8844
190: ok 8845
190: ok 8846
190: ok 8847
190: ok 8848
190: ok 8849
190: ok 8850
190: ok 8851
190: ok 8852
190: ok 8853
190: ok 8854
190: ok 8855
190: ok 8856
190: ok 8857
190: ok 8858
190: ok 8859
190: ok 8860
190: ok 8861
190: ok 8862
190: ok 8863
190: ok 8864
190: ok 8865
190: ok 8866
190: ok 8867
190: ok 8868
190: ok 8869
190: ok 8870
190: ok 8871
190: ok 8872
190: ok 8873
190: ok 8874
190: ok 8875
190: ok 8876
190: ok 8877
190: ok 8878
190: ok 8879
190: ok 8880
190: ok 8881
190: ok 8882
190: ok 8883
190: ok 8884
190: ok 8885
190: ok 8886
190: ok 8887
190: ok 8888
190: ok 8889
190: ok 8890
190: ok 8891
190: ok 8892
190: ok 8893
190: ok 8894
190: ok 8895
190: ok 8896
190: ok 8897
190: ok 8898
190: ok 8899
190: ok 8900
190: ok 8901
190: ok 8902
190: ok 8903
190: ok 8904
190: ok 8905
190: ok 8906
190: ok 8907
190: ok 8908
190: ok 8909
190: ok 8910
190: ok 8911
190: ok 8912
190: ok 8913
190: ok 8914
190: ok 8915
190: ok 8916
190: ok 8917
190: ok 8918
190: ok 8919
190: ok 8920
190: ok 8921
190: ok 8922
190: ok 8923
190: ok 8924
190: ok 8925
190: ok 8926
190: ok 8927
190: ok 8928
190: ok 8929
190: ok 8930
190: ok 8931
190: ok 8932
190: ok 8933
190: ok 8934
190: ok 8935
190: ok 8936
190: ok 8937
190: ok 8938
190: ok 8939
190: ok 8940
190: ok 8941
190: ok 8942
190: ok 8943
190: ok 8944
190: ok 8945
190: ok 8946
190: ok 8947
190: ok 8948
190: ok 8949
190: ok 8950
190: ok 8951
190: ok 8952
190: ok 8953
190: ok 8954
190: ok 8955
190: ok 8956
190: ok 8957
190: ok 8958
190: ok 8959
190: ok 8960
190: ok 8961
190: ok 8962
190: ok 8963
190: ok 8964
190: ok 8965
190: ok 8966
190: ok 8967
190: ok 8968
190: ok 8969
190: ok 8970
190: ok 8971
190: ok 8972
190: ok 8973
190: ok 8974
190: ok 8975
190: ok 8976
190: ok 8977
190: ok 8978
190: ok 8979
190: ok 8980
190: ok 8981
190: ok 8982
190: ok 8983
190: ok 8984
190: ok 8985
190: ok 8986
190: ok 8987
190: ok 8988
190: ok 8989
190: ok 8990
190: ok 8991
190: ok 8992
190: ok 8993
190: ok 8994
190: ok 8995
190: ok 8996
190: ok 8997
190: ok 8998
190: ok 8999
190: ok 9000
190: ok 9001
190: ok 9002
190: ok 9003
190: ok 9004
190: ok 9005
190: ok 9006
190: ok 9007
190: ok 9008
190: ok 9009
190: ok 9010
190: ok 9011
190: ok 9012
190: ok 9013
190: ok 9014
190: ok 9015
190: ok 9016
190: ok 9017
190: ok 9018
190: ok 9019
190: ok 9020
190: ok 9021
190: ok 9022
190: ok 9023
190: ok 9024
190: ok 9025
190: ok 9026
190: ok 9027
190: ok 9028
190: ok 9029
190: ok 9030
190: ok 9031
190: ok 9032
190: ok 9033
190: ok 9034
190: ok 9035
190: ok 9036
190: ok 9037
190: ok 9038
190: ok 9039
190: ok 9040
190: ok 9041
190: ok 9042
190: ok 9043
190: ok 9044
190: ok 9045
190: ok 9046
190: ok 9047
190: ok 9048
190: ok 9049
190: ok 9050
190: ok 9051
190: ok 9052
190: ok 9053
190: ok 9054
190: ok 9055
190: ok 9056
190: ok 9057
190: ok 9058
190: ok 9059
190: ok 9060
190: ok 9061
190: ok 9062
190: ok 9063
190: ok 9064
190: ok 9065
190: ok 9066
190: ok 9067
190: ok 9068
190: ok 9069
190: ok 9070
190: ok 9071
190: ok 9072
190: ok 9073
190: ok 9074
190: ok 9075
190: ok 9076
190: ok 9077
190: ok 9078
190: ok 9079
190: ok 9080
190: ok 9081
190: ok 9082
190: ok 9083
190: ok 9084
190: ok 9085
190: ok 9086
190: ok 9087
190: ok 9088
190: ok 9089
190: ok 9090
190: ok 9091
190: ok 9092
190: ok 9093
190: ok 9094
190: ok 9095
190: ok 9096
190: ok 9097
190: ok 9098
190: ok 9099
190: ok 9100
190: ok 9101
190: ok 9102
190: ok 9103
190: ok 9104
190: ok 9105
190: ok 9106
190: ok 9107
190: ok 9108
190: ok 9109
190: ok 9110
190: ok 9111
190: ok 9112
190: ok 9113
190: ok 9114
190: ok 9115
190: ok 9116
190: ok 9117
190: ok 9118
190: ok 9119
190: ok 9120
190: ok 9121
190: ok 9122
190: ok 9123
190: ok 9124
190: ok 9125
190: ok 9126
190: ok 9127
190: ok 9128
190: ok 9129
190: ok 9130
190: ok 9131
190: ok 9132
190: ok 9133
190: ok 9134
190: ok 9135
190: ok 9136
190: ok 9137
190: ok 9138
190: ok 9139
190: ok 9140
190: ok 9141
190: ok 9142
190: ok 9143
190: ok 9144
190: ok 9145
190: ok 9146
190: ok 9147
190: ok 9148
190: ok 9149
190: ok 9150
190: ok 9151
190: ok 9152
190: ok 9153
190: ok 9154
190: ok 9155
190: ok 9156
190: ok 9157
190: ok 9158
190: ok 9159
190: ok 9160
190: ok 9161
190: ok 9162
190: ok 9163
190: ok 9164
190: ok 9165
190: ok 9166
190: ok 9167
190: ok 9168
190: ok 9169
190: ok 9170
190: ok 9171
190: ok 9172
190: ok 9173
190: ok 9174
190: ok 9175
190: ok 9176
190: ok 9177
190: ok 9178
190: ok 9179
190: ok 9180
190: ok 9181
190: ok 9182
190: ok 9183
190: ok 9184
190: ok 9185
190: ok 9186
190: ok 9187
190: ok 9188
190: ok 9189
190: ok 9190
190: ok 9191
190: ok 9192
190: ok 9193
190: ok 9194
190: ok 9195
190: ok 9196
190: ok 9197
190: ok 9198
190: ok 9199
190: ok 9200
190: ok 9201
190: ok 9202
190: ok 9203
190: ok 9204
190: ok 9205
190: ok 9206
190: ok 9207
190: ok 9208
190: ok 9209
190: ok 9210
190: ok 9211
190: ok 9212
190: ok 9213
190: ok 9214
190: ok 9215
190: ok 9216
190: ok 9217
190: ok 9218
190: ok 9219
190: ok 9220
190: ok 9221
190: ok 9222
190: ok 9223
190: ok 9224
190: ok 9225
190: ok 9226
190: ok 9227
190: ok 9228
190: ok 9229
190: ok 9230
190: ok 9231
190: ok 9232
190: ok 9233
190: ok 9234
190: ok 9235
190: ok 9236
190: ok 9237
190: ok 9238
190: ok 9239
190: ok 9240
190: ok 9241
190: ok 9242
190: ok 9243
190: ok 9244
190: ok 9245
190: ok 9246
190: ok 9247
190: ok 9248
190: ok 9249
190: ok 9250
190: ok 9251
190: ok 9252
190: ok 9253
190: ok 9254
190: ok 9255
190: ok 9256
190: ok 9257
190: ok 9258
190: ok 9259
190: ok 9260
190: ok 9261
190: ok 9262
190: ok 9263
190: ok 9264
190: ok 9265
190: ok 9266
190: ok 9267
190: ok 9268
190: ok 9269
190: ok 9270
190: ok 9271
190: ok 9272
190: ok 9273
190: ok 9274
190: ok 9275
190: ok 9276
190: ok 9277
190: ok 9278
190: ok 9279
190: ok 9280
190: ok 9281
190: ok 9282
190: ok 9283
190: ok 9284
190: ok 9285
190: ok 9286
190: ok 9287
190: ok 9288
190: ok 9289
190: ok 9290
190: ok 9291
190: ok 9292
190: ok 9293
190: ok 9294
190: ok 9295
190: ok 9296
190: ok 9297
190: ok 9298
190: ok 9299
190: ok 9300
190: ok 9301
190: ok 9302
190: ok 9303
190: ok 9304
190: ok 9305
190: ok 9306
190: ok 9307
190: ok 9308
190: ok 9309
190: ok 9310
190: ok 9311
190: ok 9312
190: ok 9313
190: ok 9314
190: ok 9315
190: ok 9316
190: ok 9317
190: ok 9318
190: ok 9319
190: ok 9320
190: ok 9321
190: ok 9322
190: ok 9323
190: ok 9324
190: ok 9325
190: ok 9326
190: ok 9327
190: ok 9328
190: ok 9329
190: ok 9330
190: ok 9331
190: ok 9332
190: ok 9333
190: ok 9334
190: ok 9335
190: ok 9336
190: ok 9337
190: ok 9338
190: ok 9339
190: ok 9340
190: ok 9341
190: ok 9342
190: ok 9343
190: ok 9344
190: ok 9345
190: ok 9346
190: ok 9347
190: ok 9348
190: ok 9349
190: ok 9350
190: ok 9351
190: ok 9352
190: ok 9353
190: ok 9354
190: ok 9355
190: ok 9356
190: ok 9357
190: ok 9358
190: ok 9359
190: ok 9360
190: ok 9361
190: ok 9362
190: ok 9363
190: ok 9364
190: ok 9365
190: ok 9366
190: ok 9367
190: ok 9368
190: ok 9369
190: ok 9370
190: ok 9371
190: ok 9372
190: ok 9373
190: ok 9374
190: ok 9375
190: ok 9376
190: ok 9377
190: ok 9378
190: ok 9379
190: ok 9380
190: ok 9381
190: ok 9382
190: ok 9383
190: ok 9384
190: ok 9385
190: ok 9386
190: ok 9387
190: ok 9388
190: ok 9389
190: ok 9390
190: ok 9391
190: ok 9392
190: ok 9393
190: ok 9394
190: ok 9395
190: ok 9396
190: ok 9397
190: ok 9398
190: ok 9399
190: ok 9400
190: ok 9401
190: ok 9402
190: ok 9403
190: ok 9404
190: ok 9405
190: ok 9406
190: ok 9407
190: ok 9408
190: ok 9409
190: ok 9410
190: ok 9411
190: ok 9412
190: ok 9413
190: ok 9414
190: ok 9415
190: ok 9416
190: ok 9417
190: ok 9418
190: ok 9419
190: ok 9420
190: ok 9421
190: ok 9422
190: ok 9423
190: ok 9424
190: ok 9425
190: ok 9426
190: ok 9427
190: ok 9428
190: ok 9429
190: ok 9430
190: ok 9431
190: ok 9432
190: ok 9433
190: ok 9434
190: ok 9435
190: ok 9436
190: ok 9437
190: ok 9438
190: ok 9439
190: ok 9440
190: ok 9441
190: ok 9442
190: ok 9443
190: ok 9444
190: ok 9445
190: ok 9446
190: ok 9447
190: ok 9448
190: ok 9449
190: ok 9450
190: ok 9451
190: ok 9452
190: ok 9453
190: ok 9454
190: ok 9455
190: ok 9456
190: ok 9457
190: ok 9458
190: ok 9459
190: ok 9460
190: ok 9461
190: ok 9462
190: ok 9463
190: ok 9464
190: ok 9465
190: ok 9466
190: ok 9467
190: ok 9468
190: ok 9469
190: ok 9470
190: ok 9471
190: ok 9472
190: ok 9473
190: ok 9474
190: ok 9475
190: ok 9476
190: ok 9477
190: ok 9478
190: ok 9479
190: ok 9480
190: ok 9481
190: ok 9482
190: ok 9483
190: ok 9484
190: ok 9485
190: ok 9486
190: ok 9487
190: ok 9488
190: ok 9489
190: ok 9490
190: ok 9491
190: ok 9492
190: ok 9493
190: ok 9494
190: ok 9495
190: ok 9496
190: ok 9497
190: ok 9498
190: ok 9499
190: ok 9500
190: ok 9501
190: ok 9502
190: ok 9503
190: ok 9504
190: ok 9505
190: ok 9506
190: ok 9507
190: ok 9508
190: ok 9509
190: ok 9510
190: ok 9511
190: ok 9512
190: ok 9513
190: ok 9514
190: ok 9515
190: ok 9516
190: ok 9517
190: ok 9518
190: ok 9519
190: ok 9520
190: ok 9521
190: ok 9522
190: ok 9523
190: ok 9524
190: ok 9525
190: ok 9526
190: ok 9527
190: ok 9528
190: ok 9529
190: ok 9530
190: ok 9531
190: ok 9532
190: ok 9533
190: ok 9534
190: ok 9535
190: ok 9536
190: ok 9537
190: ok 9538
190: ok 9539
190: ok 9540
190: ok 9541
190: ok 9542
190: ok 9543
190: ok 9544
190: ok 9545
190: ok 9546
190: ok 9547
190: ok 9548
190: ok 9549
190: ok 9550
190: ok 9551
190: ok 9552
190: ok 9553
190: ok 9554
190: ok 9555
190: ok 9556
190: ok 9557
190: ok 9558
190: ok 9559
190: ok 9560
190: ok 9561
190: ok 9562
190: ok 9563
190: ok 9564
190: ok 9565
190: ok 9566
190: ok 9567
190: ok 9568
190: ok 9569
190: ok 9570
190: ok 9571
190: ok 9572
190: ok 9573
190: ok 9574
190: ok 9575
190: ok 9576
190: ok 9577
190: ok 9578
190: ok 9579
190: ok 9580
190: ok 9581
190: ok 9582
190: ok 9583
190: ok 9584
190: ok 9585
190: ok 9586
190: ok 9587
190: ok 9588
190: ok 9589
190: ok 9590
190: ok 9591
190: ok 9592
190: ok 9593
190: ok 9594
190: ok 9595
190: ok 9596
190: ok 9597
190: ok 9598
190: ok 9599
190: ok 9600
190: ok 9601
190: ok 9602
190: ok 9603
190: ok 9604
190: ok 9605
190: ok 9606
190: ok 9607
190: ok 9608
190: ok 9609
190: ok 9610
190: ok 9611
190: ok 9612
190: ok 9613
190: ok 9614
190: ok 9615
190: ok 9616
190: ok 9617
190: ok 9618
190: ok 9619
190: ok 9620
190: ok 9621
190: ok 9622
190: ok 9623
190: ok 9624
190: ok 9625
190: ok 9626
190: ok 9627
190: ok 9628
190: ok 9629
190: ok 9630
190: ok 9631
190: ok 9632
190: ok 9633
190: ok 9634
190: ok 9635
190: ok 9636
190: ok 9637
190: ok 9638
190: ok 9639
190: ok 9640
190: ok 9641
190: ok 9642
190: ok 9643
190: ok 9644
190: ok 9645
190: ok 9646
190: ok 9647
190: ok 9648
190: ok 9649
190: ok 9650
190: ok 9651
190: ok 9652
190: ok 9653
190: ok 9654
190: ok 9655
190: ok 9656
190: ok 9657
190: ok 9658
190: ok 9659
190: ok 9660
190: ok 9661
190: ok 9662
190: ok 9663
190: ok 9664
190: ok 9665
190: ok 9666
190: ok 9667
190: ok 9668
190: ok 9669
190: ok 9670
190: ok 9671
190: ok 9672
190: ok 9673
190: ok 9674
190: ok 9675
190: ok 9676
190: ok 9677
190: ok 9678
190: ok 9679
190: ok 9680
190: ok 9681
190: ok 9682
190: ok 9683
190: ok 9684
190: ok 9685
190: ok 9686
190: ok 9687
190: ok 9688
190: ok 9689
190: ok 9690
190: ok 9691
190: ok 9692
190: ok 9693
190: ok 9694
190: ok 9695
190: ok 9696
190: ok 9697
190: ok 9698
190: ok 9699
190: ok 9700
190: ok 9701
190: ok 9702
190: ok 9703
190: ok 9704
190: ok 9705
190: ok 9706
190: ok 9707
190: ok 9708
190: ok 9709
190: ok 9710
190: ok 9711
190: ok 9712
190: ok 9713
190: ok 9714
190: ok 9715
190: ok 9716
190: ok 9717
190: ok 9718
190: ok 9719
190: ok 9720
190: ok 9721
190: ok 9722
190: ok 9723
190: ok 9724
190: ok 9725
190: ok 9726
190: ok 9727
190: ok 9728
190: ok 9729
190: ok 9730
190: ok 9731
190: ok 9732
190: ok 9733
190: ok 9734
190: ok 9735
190: ok 9736
190: ok 9737
190: ok 9738
190: ok 9739
190: ok 9740
190: ok 9741
190: ok 9742
190: ok 9743
190: ok 9744
190: ok 9745
190: ok 9746
190: ok 9747
190: ok 9748
190: ok 9749
190: ok 9750
190: ok 9751
190: ok 9752
190: ok 9753
190: ok 9754
190: ok 9755
190: ok 9756
190: ok 9757
190: ok 9758
190: ok 9759
190: ok 9760
190: ok 9761
190: ok 9762
190: ok 9763
190: ok 9764
190: ok 9765
190: ok 9766
190: ok 9767
190: ok 9768
190: ok 9769
190: ok 9770
190: ok 9771
190: ok 9772
190: ok 9773
190: ok 9774
190: ok 9775
190: ok 9776
190: ok 9777
190: ok 9778
190: ok 9779
190: ok 9780
190: ok 9781
190: ok 9782
190: ok 9783
190: ok 9784
190: ok 9785
190: ok 9786
190: ok 9787
190: ok 9788
190: ok 9789
190: ok 9790
190: ok 9791
190: ok 9792
190: ok 9793
190: ok 9794
190: ok 9795
190: ok 9796
190: ok 9797
190: ok 9798
190: ok 9799
190: ok 9800
190: ok 9801
190: ok 9802
190: ok 9803
190: ok 9804
190: ok 9805
190: ok 9806
190: ok 9807
190: ok 9808
190: ok 9809
190: ok 9810
190: ok 9811
190: ok 9812
190: ok 9813
190: ok 9814
190: ok 9815
190: ok 9816
190: ok 9817
190: ok 9818
190: ok 9819
190: ok 9820
190: ok 9821
190: ok 9822
190: ok 9823
190: ok 9824
190: ok 9825
190: ok 9826
190: ok 9827
190: ok 9828
190: ok 9829
190: ok 9830
190: ok 9831
190: ok 9832
190: ok 9833
190: ok 9834
190: ok 9835
190: ok 9836
190: ok 9837
190: ok 9838
190: ok 9839
190: ok 9840
190: ok 9841
190: ok 9842
190: ok 9843
190: ok 9844
190: ok 9845
190: ok 9846
190: ok 9847
190: ok 9848
190: ok 9849
190: ok 9850
190: ok 9851
190: ok 9852
190: ok 9853
190: ok 9854
190: ok 9855
190: ok 9856
190: ok 9857
190: ok 9858
190: ok 9859
190: ok 9860
190: ok 9861
190: ok 9862
190: ok 9863
190: ok 9864
190: ok 9865
190: ok 9866
190: ok 9867
190: ok 9868
190: ok 9869
190: ok 9870
190: ok 9871
190: ok 9872
190: ok 9873
190: ok 9874
190: ok 9875
190: ok 9876
190: ok 9877
190: ok 9878
190: ok 9879
190: ok 9880
190: ok 9881
190: ok 9882
190: ok 9883
190: ok 9884
190: ok 9885
190: ok 9886
190: ok 9887
190: ok 9888
190: ok 9889
190: ok 9890
190: ok 9891
190: ok 9892
190: ok 9893
190: ok 9894
190: ok 9895
190: ok 9896
190: ok 9897
190: ok 9898
190: ok 9899
190: ok 9900
190: ok 9901
190: ok 9902
190: ok 9903
190: ok 9904
190: ok 9905
190: ok 9906
190: ok 9907
190: ok 9908
190: ok 9909
190: ok 9910
190: ok 9911
190: ok 9912
190: ok 9913
190: ok 9914
190: ok 9915
190: ok 9916
190: ok 9917
190: ok 9918
190: ok 9919
190: ok 9920
190: ok 9921
190: ok 9922
190: ok 9923
190: ok 9924
190: ok 9925
190: ok 9926
190: ok 9927
190: ok 9928
190: ok 9929
190: ok 9930
190: ok 9931
190: ok 9932
190: ok 9933
190: ok 9934
190: ok 9935
190: ok 9936
190: ok 9937
190: ok 9938
190: ok 9939
190: ok 9940
190: ok 9941
190: ok 9942
190: ok 9943
190: ok 9944
190: ok 9945
190: ok 9946
190: ok 9947
190: ok 9948
190: ok 9949
190: ok 9950
190: ok 9951
190: ok 9952
190: ok 9953
190: ok 9954
190: ok 9955
190: ok 9956
190: ok 9957
190: ok 9958
190: ok 9959
190: ok 9960
190: ok 9961
190: ok 9962
190: ok 9963
190: ok 9964
190: ok 9965
190: ok 9966
190: ok 9967
190: ok 9968
190: ok 9969
190: ok 9970
190: ok 9971
190: ok 9972
190: ok 9973
190: ok 9974
190: ok 9975
190: ok 9976
190: ok 9977
190: ok 9978
190: ok 9979
190: ok 9980
190: ok 9981
190: ok 9982
190: ok 9983
190: ok 9984
190: ok 9985
190: ok 9986
190: ok 9987
190: ok 9988
190: ok 9989
190: ok 9990
190: ok 9991
190: ok 9992
190: ok 9993
190: ok 9994
190: ok 9995
190: ok 9996
190: ok 9997
190: ok 9998
190: ok 9999
190: ok 10000
190: ok 10001
190: ok 10002
190: ok 10003
190: ok 10004
190: ok 10005
190: ok 10006
190: ok 10007
190: ok 10008
190: ok 10009
190: ok 10010
190: ok 10011
190: ok 10012
190: ok 10013
190: ok 10014
190: ok 10015
190: ok 10016
190: ok 10017
190: ok 10018
190: ok 10019
190: ok 10020
190: ok 10021
190: ok 10022
190: ok 10023
190: ok 10024
190: ok 10025
190: ok 10026
190: ok 10027
190: ok 10028
190: ok 10029
190: ok 10030
190: ok 10031
190: ok 10032
190: ok 10033
190: ok 10034
190: ok 10035
190: ok 10036
190: ok 10037
190: ok 10038
190: ok 10039
190: ok 10040
190: ok 10041
190: ok 10042
190: ok 10043
190: ok 10044
190: ok 10045
190: ok 10046
190: ok 10047
190: ok 10048
190: ok 10049
190: ok 10050
190: ok 10051
190: ok 10052
190: ok 10053
190: ok 10054
190: ok 10055
190: ok 10056
190: ok 10057
190: ok 10058
190: ok 10059
190: ok 10060
190: ok 10061
190: ok 10062
190: ok 10063
190: ok 10064
190: ok 10065
190: ok 10066
190: ok 10067
190: ok 10068
190: ok 10069
190: ok 10070
190: ok 10071
190: ok 10072
190: ok 10073
190: ok 10074
190: ok 10075
190: ok 10076
190: ok 10077
190: ok 10078
190: ok 10079
190: ok 10080
190: ok 10081
190: ok 10082
190: ok 10083
190: ok 10084
190: ok 10085
190: ok 10086
190: ok 10087
190: ok 10088
190: ok 10089
190: ok 10090
190: ok 10091
190: ok 10092
190: ok 10093
190: ok 10094
190: ok 10095
190: ok 10096
190: ok 10097
190: ok 10098
190: ok 10099
190: ok 10100
190: ok 10101
190: ok 10102
190: ok 10103
190: ok 10104
190: ok 10105
190: ok 10106
190: ok 10107
190: ok 10108
190: ok 10109
190: ok 10110
190: ok 10111
190: ok 10112
190: ok 10113
190: ok 10114
190: ok 10115
190: ok 10116
190: ok 10117
190: ok 10118
190: ok 10119
190: ok 10120
190: ok 10121
190: ok 10122
190: ok 10123
190: ok 10124
190: ok 10125
190: ok 10126
190: ok 10127
190: ok 10128
190: ok 10129
190: ok 10130
190: ok 10131
190: ok 10132
190: ok 10133
190: ok 10134
190: ok 10135
190: ok 10136
190: ok 10137
190: ok 10138
190: ok 10139
190: ok 10140
190: ok 10141
190: ok 10142
190: ok 10143
190: ok 10144
190: ok 10145
190: ok 10146
190: ok 10147
190: ok 10148
190: ok 10149
190: ok 10150
190: ok 10151
190: ok 10152
190: ok 10153
190: ok 10154
190: ok 10155
190: ok 10156
190: ok 10157
190: ok 10158
190: ok 10159
190: ok 10160
190: ok 10161
190: ok 10162
190: ok 10163
190: ok 10164
190: ok 10165
190: ok 10166
190: ok 10167
190: ok 10168
190: ok 10169
190: ok 10170
190: ok 10171
190: ok 10172
190: ok 10173
190: ok 10174
190: ok 10175
190: ok 10176
190: ok 10177
190: ok 10178
190: ok 10179
190: ok 10180
190: ok 10181
190: ok 10182
190: ok 10183
190: ok 10184
190: ok 10185
190: ok 10186
190: ok 10187
190: ok 10188
190: ok 10189
190: ok 10190
190: ok 10191
190: ok 10192
190: ok 10193
190: ok 10194
190: ok 10195
190: ok 10196
190: ok 10197
190: ok 10198
190: ok 10199
190: ok 10200
190: ok 10201
190: ok 10202
190: ok 10203
190: ok 10204
190: ok 10205
190: ok 10206
190: ok 10207
190: ok 10208
190: ok 10209
190: ok 10210
190: ok 10211
190: ok 10212
190: ok 10213
190: ok 10214
190: ok 10215
190: ok 10216
190: ok 10217
190: ok 10218
190: ok 10219
190: ok 10220
190: ok 10221
190: ok 10222
190: ok 10223
190: ok 10224
190: ok 10225
190: ok 10226
190: ok 10227
190: ok 10228
190: ok 10229
190: ok 10230
190: ok 10231
190: ok 10232
190: ok 10233
190: ok 10234
190: ok 10235
190: ok 10236
190: ok 10237
190: ok 10238
190: ok 10239
190: ok 10240
190: ok 10241
190: ok 10242
190: ok 10243
190: ok 10244
190: ok 10245
190: ok 10246
190: ok 10247
190: ok 10248
190: ok 10249
190: ok 10250
190: ok 10251
190: ok 10252
190: ok 10253
190: ok 10254
190: ok 10255
190: ok 10256
190: ok 10257
190: ok 10258
190: ok 10259
190: ok 10260
190: ok 10261
190: ok 10262
190: ok 10263
190: ok 10264
190: ok 10265
190: ok 10266
190: ok 10267
190: ok 10268
190: ok 10269
190: ok 10270
190: ok 10271
190: ok 10272
190: ok 10273
190: ok 10274
190: ok 10275
190: ok 10276
190: ok 10277
190: ok 10278
190: ok 10279
190: ok 10280
190: ok 10281
190: ok 10282
190: ok 10283
190: ok 10284
190: ok 10285
190: ok 10286
190: ok 10287
190: ok 10288
190: ok 10289
190: ok 10290
190: ok 10291
190: ok 10292
190: ok 10293
190: ok 10294
190: ok 10295
190: ok 10296
190: ok 10297
190: ok 10298
190: ok 10299
190: ok 10300
190: ok 10301
190: ok 10302
190: ok 10303
190: ok 10304
190: ok 10305
190: ok 10306
190: ok 10307
190: ok 10308
190: ok 10309
190: ok 10310
190: ok 10311
190: ok 10312
190: ok 10313
190: ok 10314
190: ok 10315
190: ok 10316
190: ok 10317
190: ok 10318
190: ok 10319
190: ok 10320
190: ok 10321
190: ok 10322
190: ok 10323
190: ok 10324
190: ok 10325
190: ok 10326
190: ok 10327
190: ok 10328
190: ok 10329
190: ok 10330
190: ok 10331
190: ok 10332
190: ok 10333
190: ok 10334
190: ok 10335
190: ok 10336
190: ok 10337
190: ok 10338
190: ok 10339
190: ok 10340
190: ok 10341
190: ok 10342
190: ok 10343
190: ok 10344
190: ok 10345
190: ok 10346
190: ok 10347
190: ok 10348
190: ok 10349
190: ok 10350
190: ok 10351
190: ok 10352
190: ok 10353
190: ok 10354
190: ok 10355
190: ok 10356
190: ok 10357
190: ok 10358
190: ok 10359
190: ok 10360
190: ok 10361
190: ok 10362
190: ok 10363
190: ok 10364
190: ok 10365
190: ok 10366
190: ok 10367
190: ok 10368
190: ok 10369
190: ok 10370
190: ok 10371
190: ok 10372
190: ok 10373
190: ok 10374
190: ok 10375
190: ok 10376
190: ok 10377
190: ok 10378
190: ok 10379
190: ok 10380
190: ok 10381
190: ok 10382
190: ok 10383
190: ok 10384
190: ok 10385
190: ok 10386
190: ok 10387
190: ok 10388
190: ok 10389
190: ok 10390
190: ok 10391
190: ok 10392
190: ok 10393
190: ok 10394
190: ok 10395
190: ok 10396
190: ok 10397
190: ok 10398
190: ok 10399
190: ok 10400
190: ok 10401
190: ok 10402
190: ok 10403
190: ok 10404
190: ok 10405
190: ok 10406
190: ok 10407
190: ok 10408
190: ok 10409
190: ok 10410
190: ok 10411
190: ok 10412
190: ok 10413
190: ok 10414
190: ok 10415
190: ok 10416
190: ok 10417
190: ok 10418
190: ok 10419
190: ok 10420
190: ok 10421
190: ok 10422
190: ok 10423
190: ok 10424
190: ok 10425
190: ok 10426
190: ok 10427
190: ok 10428
190: ok 10429
190: ok 10430
190: ok 10431
190: ok 10432
190: ok 10433
190: ok 10434
190: ok 10435
190: ok 10436
190: ok 10437
190: ok 10438
190: ok 10439
190: ok 10440
190: ok 10441
190: ok 10442
190: ok 10443
190: ok 10444
190: ok 10445
190: ok 10446
190: ok 10447
190: ok 10448
190: ok 10449
190: ok 10450
190: ok 10451
190: ok 10452
190: ok 10453
190: ok 10454
190: ok 10455
190: ok 10456
190: ok 10457
190: ok 10458
190: ok 10459
190: ok 10460
190: ok 10461
190: ok 10462
190: ok 10463
190: ok 10464
190: ok 10465
190: ok 10466
190: ok 10467
190: ok 10468
190: ok 10469
190: ok 10470
190: ok 10471
190: ok 10472
190: ok 10473
190: ok 10474
190: ok 10475
190: ok 10476
190: ok 10477
190: ok 10478
190: ok 10479
190: ok 10480
190: ok 10481
190: ok 10482
190: ok 10483
190: ok 10484
190: ok 10485
190: ok 10486
190: ok 10487
190: ok 10488
190: ok 10489
190: ok 10490
190: ok 10491
190: ok 10492
190: ok 10493
190: ok 10494
190: ok 10495
190: ok 10496
190: ok 10497
190: ok 10498
190: ok 10499
190: ok 10500
190: ok 10501
190: ok 10502
190: ok 10503
190: ok 10504
190: ok 10505
190: ok 10506
190: ok 10507
190: ok 10508
190: ok 10509
190: ok 10510
190: ok 10511
190: ok 10512
190: ok 10513
190: ok 10514
190: ok 10515
190: ok 10516
190: ok 10517
190: ok 10518
190: ok 10519
190: ok 10520
190: ok 10521
190: ok 10522
190: ok 10523
190: ok 10524
190: ok 10525
190: ok 10526
190: ok 10527
190: ok 10528
190: ok 10529
190: ok 10530
190: ok 10531
190: ok 10532
190: ok 10533
190: ok 10534
190: ok 10535
190: ok 10536
190: ok 10537
190: ok 10538
190: ok 10539
190: ok 10540
190: ok 10541
190: ok 10542
190: ok 10543
190: ok 10544
190: ok 10545
190: ok 10546
190: ok 10547
190: ok 10548
190: ok 10549
190: ok 10550
190: ok 10551
190: ok 10552
190: ok 10553
190: ok 10554
190: ok 10555
190: ok 10556
190: ok 10557
190: ok 10558
190: ok 10559
190: ok 10560
190: ok 10561
190: ok 10562
190: ok 10563
190: ok 10564
190: ok 10565
190: ok 10566
190: ok 10567
190: ok 10568
190: ok 10569
190: ok 10570
190: ok 10571
190: ok 10572
190: ok 10573
190: ok 10574
190: ok 10575
190: ok 10576
190: ok 10577
190: ok 10578
190: ok 10579
190: ok 10580
190: ok 10581
190: ok 10582
190: ok 10583
190: ok 10584
190: ok 10585
190: ok 10586
190: ok 10587
190: ok 10588
190: ok 10589
190: ok 10590
190: ok 10591
190: ok 10592
190: ok 10593
190: ok 10594
190: ok 10595
190: ok 10596
190: ok 10597
190: ok 10598
190: ok 10599
190: ok 10600
190: ok 10601
190: ok 10602
190: ok 10603
190: ok 10604
190: ok 10605
190: ok 10606
190: ok 10607
190: ok 10608
190: ok 10609
190: ok 10610
190: ok 10611
190: ok 10612
190: ok 10613
190: ok 10614
190: ok 10615
190: ok 10616
190: ok 10617
190: ok 10618
190: ok 10619
190: ok 10620
190: ok 10621
190: ok 10622
190: ok 10623
190: ok 10624
190: ok 10625
190: ok 10626
190: ok 10627
190: ok 10628
190: ok 10629
190: ok 10630
190: ok 10631
190: ok 10632
190: ok 10633
190: ok 10634
190: ok 10635
190: ok 10636
190: ok 10637
190: ok 10638
190: ok 10639
190: ok 10640
190: ok 10641
190: ok 10642
190: ok 10643
190: ok 10644
190: ok 10645
190: ok 10646
190: ok 10647
190: ok 10648
190: ok 10649
190: ok 10650
190: ok 10651
190: ok 10652
190: ok 10653
190: ok 10654
190: ok 10655
190: ok 10656
190: ok 10657
190: ok 10658
190: ok 10659
190: ok 10660
190: ok 10661
190: ok 10662
190: ok 10663
190: ok 10664
190: ok 10665
190: ok 10666
190: ok 10667
190: ok 10668
190: ok 10669
190: ok 10670
190: ok 10671
190: ok 10672
190: ok 10673
190: ok 10674
190: ok 10675
190: ok 10676
190: ok 10677
190: ok 10678
190: ok 10679
190: ok 10680
190: ok 10681
190: ok 10682
190: ok 10683
190: ok 10684
190: ok 10685
190: ok 10686
190: ok 10687
190: ok 10688
190: ok 10689
190: ok 10690
190: ok 10691
190: ok 10692
190: ok 10693
190: ok 10694
190: ok 10695
190: ok 10696
190: ok 10697
190: ok 10698
190: ok 10699
190: ok 10700
190: ok 10701
190: ok 10702
190: ok 10703
190: ok 10704
190: ok 10705
190: ok 10706
190: ok 10707
190: ok 10708
190: ok 10709
190: ok 10710
190: ok 10711
190: ok 10712
190: ok 10713
190: ok 10714
190: ok 10715
190: ok 10716
190: ok 10717
190: ok 10718
190: ok 10719
190: ok 10720
190: ok 10721
190: ok 10722
190: ok 10723
190: ok 10724
190: ok 10725
190: ok 10726
190: ok 10727
190: ok 10728
190: ok 10729
190: ok 10730
190: ok 10731
190: ok 10732
190: ok 10733
190: ok 10734
190: ok 10735
190: ok 10736
190: ok 10737
190: ok 10738
190: ok 10739
190: ok 10740
190: ok 10741
190: ok 10742
190: ok 10743
190: ok 10744
190: ok 10745
190: ok 10746
190: ok 10747
190: ok 10748
190: ok 10749
190: ok 10750
190: ok 10751
190: ok 10752
190: ok 10753
190: ok 10754
190: ok 10755
190: ok 10756
190: ok 10757
190: ok 10758
190: ok 10759
190: ok 10760
190: ok 10761
190: ok 10762
190: ok 10763
190: ok 10764
190: ok 10765
190: ok 10766
190: ok 10767
190: ok 10768
190: ok 10769
190: ok 10770
190: ok 10771
190: ok 10772
190: ok 10773
190: ok 10774
190: ok 10775
190: ok 10776
190: ok 10777
190: ok 10778
190: ok 10779
190: ok 10780
190: ok 10781
190: ok 10782
190: ok 10783
190: ok 10784
190: ok 10785
190: ok 10786
190: ok 10787
190: ok 10788
190: ok 10789
190: ok 10790
190: ok 10791
190: ok 10792
190: ok 10793
190: ok 10794
190: ok 10795
190: ok 10796
190: ok 10797
190: ok 10798
190: ok 10799
190: ok 10800
190: ok 10801
190: ok 10802
190: ok 10803
190: ok 10804
190: ok 10805
190: ok 10806
190: ok 10807
190: ok 10808
190: ok 10809
190: ok 10810
190: ok 10811
190: ok 10812
190: ok 10813
190: ok 10814
190: ok 10815
190: ok 10816
190: ok 10817
190: ok 10818
190: ok 10819
190: ok 10820
190: ok 10821
190: ok 10822
190: ok 10823
190: ok 10824
190: ok 10825
190: ok 10826
190: ok 10827
190: ok 10828
190: ok 10829
190: ok 10830
190: ok 10831
190: ok 10832
190: ok 10833
190: ok 10834
190: ok 10835
190: ok 10836
190: ok 10837
190: ok 10838
190: ok 10839
190: ok 10840
190: ok 10841
190: ok 10842
190: ok 10843
190: ok 10844
190: ok 10845
190: ok 10846
190: ok 10847
190: ok 10848
190: ok 10849
190: ok 10850
190: ok 10851
190: ok 10852
190: ok 10853
190: ok 10854
190: ok 10855
190: ok 10856
190: ok 10857
190: ok 10858
190: ok 10859
190: ok 10860
190: ok 10861
190: ok 10862
190: ok 10863
190: ok 10864
190: ok 10865
190: ok 10866
190: ok 10867
190: ok 10868
190: ok 10869
190: ok 10870
190: ok 10871
190: ok 10872
190: ok 10873
190: ok 10874
190: ok 10875
190: ok 10876
190: ok 10877
190: ok 10878
190: ok 10879
190: ok 10880
190: ok 10881
190: ok 10882
190: ok 10883
190: ok 10884
190: ok 10885
190: ok 10886
190: ok 10887
190: ok 10888
190: ok 10889
190: ok 10890
190: ok 10891
190: ok 10892
190: ok 10893
190: ok 10894
190: ok 10895
190: ok 10896
190: ok 10897
190: ok 10898
190: ok 10899
190: ok 10900
190: ok 10901
190: ok 10902
190: ok 10903
190: ok 10904
190: ok 10905
190: ok 10906
190: ok 10907
190: ok 10908
190: ok 10909
190: ok 10910
190: ok 10911
190: ok 10912
190: ok 10913
190: ok 10914
190: ok 10915
190: ok 10916
190: ok 10917
190: ok 10918
190: ok 10919
190: ok 10920
190: ok 10921
190: ok 10922
190: ok 10923
190: ok 10924
190: ok 10925
190: ok 10926
190: ok 10927
190: ok 10928
190: ok 10929
190: ok 10930
190: ok 10931
190: ok 10932
190: ok 10933
190: ok 10934
190: ok 10935
190: ok 10936
190: ok 10937
190: ok 10938
190: ok 10939
190: ok 10940
190: ok 10941
190: ok 10942
190: ok 10943
190: ok 10944
190: ok 10945
190: ok 10946
190: ok 10947
190: ok 10948
190: ok 10949
190: ok 10950
190: ok 10951
190: ok 10952
190: ok 10953
190: ok 10954
190: ok 10955
190: ok 10956
190: ok 10957
190: ok 10958
190: ok 10959
190: ok 10960
190: ok 10961
190: ok 10962
190: ok 10963
190: ok 10964
190: ok 10965
190: ok 10966
190: ok 10967
190: ok 10968
190: ok 10969
190: ok 10970
190: ok 10971
190: ok 10972
190: ok 10973
190: ok 10974
190: ok 10975
190: ok 10976
190: ok 10977
190: ok 10978
190: ok 10979
190: ok 10980
190: ok 10981
190: ok 10982
190: ok 10983
190: ok 10984
190: ok 10985
190: ok 10986
190: ok 10987
190: ok 10988
190: ok 10989
190: ok 10990
190: ok 10991
190: ok 10992
190: ok 10993
190: ok 10994
190: ok 10995
190: ok 10996
190: ok 10997
190: ok 10998
190: ok 10999
190: ok 11000
190: ok 11001
190: ok 11002
190: ok 11003
190: ok 11004
190: ok 11005
190: ok 11006
190: ok 11007
190: ok 11008
190: ok 11009
190: ok 11010
190: ok 11011
190: ok 11012
190: ok 11013
190: ok 11014
190: ok 11015
190: ok 11016
190: ok 11017
190: ok 11018
190: ok 11019
190: ok 11020
190: ok 11021
190: ok 11022
190: ok 11023
190: ok 11024
190: ok 11025
190: ok 11026
190: ok 11027
190: ok 11028
190: ok 11029
190: ok 11030
190: ok 11031
190: ok 11032
190: ok 11033
190: ok 11034
190: ok 11035
190: ok 11036
190: ok 11037
190: ok 11038
190: ok 11039
190: ok 11040
190: ok 11041
190: ok 11042
190: ok 11043
190: ok 11044
190: ok 11045
190: ok 11046
190: ok 11047
190: ok 11048
190: ok 11049
190: ok 11050
190: ok 11051
190: ok 11052
190: ok 11053
190: ok 11054
190: ok 11055
190: ok 11056
190: ok 11057
190: ok 11058
190: ok 11059
190: ok 11060
190: ok 11061
190: ok 11062
190: ok 11063
190: ok 11064
190: ok 11065
190: ok 11066
190: ok 11067
190: ok 11068
190: ok 11069
190: ok 11070
190: ok 11071
190: ok 11072
190: ok 11073
190: ok 11074
190: ok 11075
190: ok 11076
190: ok 11077
190: ok 11078
190: ok 11079
190: ok 11080
190: ok 11081
190: ok 11082
190: ok 11083
190: ok 11084
190: ok 11085
190: ok 11086
190: ok 11087
190: ok 11088
190: ok 11089
190: ok 11090
190: ok 11091
190: ok 11092
190: ok 11093
190: ok 11094
190: ok 11095
190: ok 11096
190: ok 11097
190: ok 11098
190: ok 11099
190: ok 11100
190: ok 11101
190: ok 11102
190: ok 11103
190: ok 11104
190: ok 11105
190: ok 11106
190: ok 11107
190: ok 11108
190: ok 11109
190: ok 11110
190: ok 11111
190: ok 11112
190: ok 11113
190: ok 11114
190: ok 11115
190: ok 11116
190: ok 11117
190: ok 11118
190: ok 11119
190: ok 11120
190: ok 11121
190: ok 11122
190: ok 11123
190: ok 11124
190: ok 11125
190: ok 11126
190: ok 11127
190: ok 11128
190: ok 11129
190: ok 11130
190: ok 11131
190: ok 11132
190: ok 11133
190: ok 11134
190: ok 11135
190: ok 11136
190: ok 11137
190: ok 11138
190: ok 11139
190: ok 11140
190: ok 11141
190: ok 11142
190: ok 11143
190: ok 11144
190: ok 11145
190: ok 11146
190: ok 11147
190: ok 11148
190: ok 11149
190: ok 11150
190: ok 11151
190: ok 11152
190: ok 11153
190: ok 11154
190: ok 11155
190: ok 11156
190: ok 11157
190: ok 11158
190: ok 11159
190: ok 11160
190: ok 11161
190: ok 11162
190: ok 11163
190: ok 11164
190: ok 11165
190: ok 11166
190: ok 11167
190: ok 11168
190: ok 11169
190: ok 11170
190: ok 11171
190: ok 11172
190: ok 11173
190: ok 11174
190: ok 11175
190: ok 11176
190: ok 11177
190: ok 11178
190: ok 11179
190: ok 11180
190: ok 11181
190: ok 11182
190: ok 11183
190: ok 11184
190: ok 11185
190: ok 11186
190: ok 11187
190: ok 11188
190: ok 11189
190: ok 11190
190: ok 11191
190: ok 11192
190: ok 11193
190: ok 11194
190: ok 11195
190: ok 11196
190: ok 11197
190: ok 11198
190: ok 11199
190: ok 11200
190: ok 11201
190: ok 11202
190: ok 11203
190: ok 11204
190: ok 11205
190: ok 11206
190: ok 11207
190: ok 11208
190: ok 11209
190: ok 11210
190: ok 11211
190: ok 11212
190: ok 11213
190: ok 11214
190: ok 11215
190: ok 11216
190: ok 11217
190: ok 11218
190: ok 11219
190: ok 11220
190: ok 11221
190: ok 11222
190: ok 11223
190: ok 11224
190: ok 11225
190: ok 11226
190: ok 11227
190: ok 11228
190: ok 11229
190: ok 11230
190: ok 11231
190: ok 11232
190: ok 11233
190: ok 11234
190: ok 11235
190: ok 11236
190: ok 11237
190: ok 11238
190: ok 11239
190: ok 11240
190: ok 11241
190: ok 11242
190: ok 11243
190: ok 11244
190: ok 11245
190: ok 11246
190: ok 11247
190: ok 11248
190: ok 11249
190: ok 11250
190: ok 11251
190: ok 11252
190: ok 11253
190: ok 11254
190: ok 11255
190: ok 11256
190: ok 11257
190: ok 11258
190: ok 11259
190: ok 11260
190: ok 11261
190: ok 11262
190: ok 11263
190: ok 11264
190: ok 11265
190: ok 11266
190: ok 11267
190: ok 11268
190: ok 11269
190: ok 11270
190: ok 11271
190: ok 11272
190: ok 11273
190: ok 11274
190: ok 11275
190: ok 11276
190: ok 11277
190: ok 11278
190: ok 11279
190: ok 11280
190: ok 11281
190: ok 11282
190: ok 11283
190: ok 11284
190: ok 11285
190: ok 11286
190: ok 11287
190: ok 11288
190: ok 11289
190: ok 11290
190: ok 11291
190: ok 11292
190: ok 11293
190: ok 11294
190: ok 11295
190: ok 11296
190: ok 11297
190: ok 11298
190: ok 11299
190: ok 11300
190: ok 11301
190: ok 11302
190: ok 11303
190: ok 11304
190: ok 11305
190: ok 11306
190: ok 11307
190: ok 11308
190: ok 11309
190: ok 11310
190: ok 11311
190: ok 11312
190: ok 11313
190: ok 11314
190: ok 11315
190: ok 11316
190: ok 11317
190: ok 11318
190: ok 11319
190: ok 11320
190: ok 11321
190: ok 11322
190: ok 11323
190: ok 11324
190: ok 11325
190: ok 11326
190: ok 11327
190: ok 11328
190: ok 11329
190: ok 11330
190: ok 11331
190: ok 11332
190: ok 11333
190: ok 11334
190: ok 11335
190: ok 11336
190: ok 11337
190: ok 11338
190: ok 11339
190: ok 11340
190: ok 11341
190: ok 11342
190: ok 11343
190: ok 11344
190: ok 11345
190: ok 11346
190: ok 11347
190: ok 11348
190: ok 11349
190: ok 11350
190: ok 11351
190: ok 11352
190: ok 11353
190: ok 11354
190: ok 11355
190: ok 11356
190: ok 11357
190: ok 11358
190: ok 11359
190: ok 11360
190: ok 11361
190: ok 11362
190: ok 11363
190: ok 11364
190: ok 11365
190: ok 11366
190: ok 11367
190: ok 11368
190: ok 11369
190: ok 11370
190: ok 11371
190: ok 11372
190: ok 11373
190: ok 11374
190: ok 11375
190: ok 11376
190: ok 11377
190: ok 11378
190: ok 11379
190: ok 11380
190: ok 11381
190: ok 11382
190: ok 11383
190: ok 11384
190: ok 11385
190: ok 11386
190: ok 11387
190: ok 11388
190: ok 11389
190: ok 11390
190: ok 11391
190: ok 11392
190: ok 11393
190: ok 11394
190: ok 11395
190: ok 11396
190: ok 11397
190: ok 11398
190: ok 11399
190: ok 11400
190: ok 11401
190: ok 11402
190: ok 11403
190: ok 11404
190: ok 11405
190: ok 11406
190: ok 11407
190: ok 11408
190: ok 11409
190: ok 11410
190: ok 11411
190: ok 11412
190: ok 11413
190: ok 11414
190: ok 11415
190: ok 11416
190: ok 11417
190: ok 11418
190: ok 11419
190: ok 11420
190: ok 11421
190: ok 11422
190: ok 11423
190: ok 11424
190: ok 11425
190: ok 11426
190: ok 11427
190: ok 11428
190: ok 11429
190: ok 11430
190: ok 11431
190: ok 11432
190: ok 11433
190: ok 11434
190: ok 11435
190: ok 11436
190: ok 11437
190: ok 11438
190: ok 11439
190: ok 11440
190: ok 11441
190: ok 11442
190: ok 11443
190: ok 11444
190: ok 11445
190: ok 11446
190: ok 11447
190: ok 11448
190: ok 11449
190: ok 11450
190: ok 11451
190: ok 11452
190: ok 11453
190: ok 11454
190: ok 11455
190: ok 11456
190: ok 11457
190: ok 11458
190: ok 11459
190: ok 11460
190: ok 11461
190: ok 11462
190: ok 11463
190: ok 11464
190: ok 11465
190: ok 11466
190: ok 11467
190: ok 11468
190: ok 11469
190: ok 11470
190: ok 11471
190: ok 11472
190: ok 11473
190: ok 11474
190: ok 11475
190: ok 11476
190: ok 11477
190: ok 11478
190: ok 11479
190: ok 11480
190: ok 11481
190: ok 11482
190: ok 11483
190: ok 11484
190: ok 11485
190: ok 11486
190: ok 11487
190: ok 11488
190: ok 11489
190: ok 11490
190: ok 11491
190: ok 11492
190: ok 11493
190: ok 11494
190: ok 11495
190: ok 11496
190: ok 11497
190: ok 11498
190: ok 11499
190: ok 11500
190: ok 11501
190: ok 11502
190: ok 11503
190: ok 11504
190: ok 11505
190: ok 11506
190: ok 11507
190: ok 11508
190: ok 11509
190: ok 11510
190: ok 11511
190: ok 11512
190: ok 11513
190: ok 11514
190: ok 11515
190: ok 11516
190: ok 11517
190: ok 11518
190: ok 11519
190: ok 11520
190: ok 11521
190: ok 11522
190: ok 11523
190: ok 11524
190: ok 11525
190: ok 11526
190: ok 11527
190: ok 11528
190: ok 11529
190: ok 11530
190: ok 11531
190: ok 11532
190: ok 11533
190: ok 11534
190: ok 11535
190: ok 11536
190: ok 11537
190: ok 11538
190: ok 11539
190: ok 11540
190: ok 11541
190: ok 11542
190: ok 11543
190: ok 11544
190: ok 11545
190: ok 11546
190: ok 11547
190: ok 11548
190: ok 11549
190: ok 11550
190: ok 11551
190: ok 11552
190: ok 11553
190: ok 11554
190: ok 11555
190: ok 11556
190: ok 11557
190: ok 11558
190: ok 11559
190: ok 11560
190: ok 11561
190: ok 11562
190: ok 11563
190: ok 11564
190: ok 11565
190: ok 11566
190: ok 11567
190: ok 11568
190: ok 11569
190: ok 11570
190: ok 11571
190: ok 11572
190: ok 11573
190: ok 11574
190: ok 11575
190: ok 11576
190: ok 11577
190: ok 11578
190: ok 11579
190: ok 11580
190: ok 11581
190: ok 11582
190: ok 11583
190: ok 11584
190: ok 11585
190: ok 11586
190: ok 11587
190: ok 11588
190: ok 11589
190: ok 11590
190: ok 11591
190: ok 11592
190: ok 11593
190: ok 11594
190: ok 11595
190: ok 11596
190: ok 11597
190: ok 11598
190: ok 11599
190: ok 11600
190: ok 11601
190: ok 11602
190: ok 11603
190: ok 11604
190: ok 11605
190: ok 11606
190: ok 11607
190: ok 11608
190: ok 11609
190: ok 11610
190: ok 11611
190: ok 11612
190: ok 11613
190: ok 11614
190: ok 11615
190: ok 11616
190: ok 11617
190: ok 11618
190: ok 11619
190: ok 11620
190: ok 11621
190: ok 11622
190: ok 11623
190: ok 11624
190: ok 11625
190: ok 11626
190: ok 11627
190: ok 11628
190: ok 11629
190: ok 11630
190: ok 11631
190: ok 11632
190: ok 11633
190: ok 11634
190: ok 11635
190: ok 11636
190: ok 11637
190: ok 11638
190: ok 11639
190: ok 11640
190: ok 11641
190: ok 11642
190: ok 11643
190: ok 11644
190: ok 11645
190: ok 11646
190: ok 11647
190: ok 11648
190: ok 11649
190: ok 11650
190: ok 11651
190: ok 11652
190: ok 11653
190: ok 11654
190: ok 11655
190: ok 11656
190: ok 11657
190: ok 11658
190: ok 11659
190: ok 11660
190: ok 11661
190: ok 11662
190: ok 11663
190: ok 11664
190: ok 11665
190: ok 11666
190: ok 11667
190: ok 11668
190: ok 11669
190: ok 11670
190: ok 11671
190: ok 11672
190: ok 11673
190: ok 11674
190: ok 11675
190: ok 11676
190: ok 11677
190: ok 11678
190: ok 11679
190: ok 11680
190: ok 11681
190: ok 11682
190: ok 11683
190: ok 11684
190: ok 11685
190: ok 11686
190: ok 11687
190: ok 11688
190: ok 11689
190: ok 11690
190: ok 11691
190: ok 11692
190: ok 11693
190: ok 11694
190: ok 11695
190: ok 11696
190: ok 11697
190: ok 11698
190: ok 11699
190: ok 11700
190: ok 11701
190: ok 11702
190: ok 11703
190: ok 11704
190: ok 11705
190: ok 11706
190: ok 11707
190: ok 11708
190: ok 11709
190: ok 11710
190: ok 11711
190: ok 11712
190: ok 11713
190: ok 11714
190: ok 11715
190: ok 11716
190: ok 11717
190: ok 11718
190: ok 11719
190: ok 11720
190: ok 11721
190: ok 11722
190: ok 11723
190: ok 11724
190: ok 11725
190: ok 11726
190: ok 11727
190: ok 11728
190: ok 11729
190: ok 11730
190: ok 11731
190: ok 11732
190: ok 11733
190: ok 11734
190: ok 11735
190: ok 11736
190: ok 11737
190: ok 11738
190: ok 11739
190: ok 11740
190: ok 11741
190: ok 11742
190: ok 11743
190: ok 11744
190: ok 11745
190: ok 11746
190: ok 11747
190: ok 11748
190: ok 11749
190: ok 11750
190: ok 11751
190: ok 11752
190: ok 11753
190: ok 11754
190: ok 11755
190: ok 11756
190: ok 11757
190: ok 11758
190: ok 11759
190: ok 11760
190: ok 11761
190: ok 11762
190: ok 11763
190: ok 11764
190: ok 11765
190: ok 11766
190: ok 11767
190: ok 11768
190: ok 11769
190: ok 11770
190: ok 11771
190: ok 11772
190: ok 11773
190: ok 11774
190: ok 11775
190: ok 11776
190: ok 11777
190: ok 11778
190: ok 11779
190: ok 11780
190: ok 11781
190: ok 11782
190: ok 11783
190: ok 11784
190: ok 11785
190: ok 11786
190: ok 11787
190: ok 11788
190: ok 11789
190: ok 11790
190: ok 11791
190: ok 11792
190: ok 11793
190: ok 11794
190: ok 11795
190: ok 11796
190: ok 11797
190: ok 11798
190: ok 11799
190: ok 11800
190: ok 11801
190: ok 11802
190: ok 11803
190: ok 11804
190: ok 11805
190: ok 11806
190: ok 11807
190: ok 11808
190: ok 11809
190: ok 11810
190: ok 11811
190: ok 11812
190: ok 11813
190: ok 11814
190: ok 11815
190: ok 11816
190: ok 11817
190: ok 11818
190: ok 11819
190: ok 11820
190: ok 11821
190: ok 11822
190: ok 11823
190: ok 11824
190: ok 11825
190: ok 11826
190: ok 11827
190: ok 11828
190: ok 11829
190: ok 11830
190: ok 11831
190: ok 11832
190: ok 11833
190: ok 11834
190: ok 11835
190: ok 11836
190: ok 11837
190: ok 11838
190: ok 11839
190: ok 11840
190: ok 11841
190: ok 11842
190: ok 11843
190: ok 11844
190: ok 11845
190: ok 11846
190: ok 11847
190: ok 11848
190: ok 11849
190: ok 11850
190: ok 11851
190: ok 11852
190: ok 11853
190: ok 11854
190: ok 11855
190: ok 11856
190: ok 11857
190: ok 11858
190: ok 11859
190: ok 11860
190: ok 11861
190: ok 11862
190: ok 11863
190: ok 11864
190: ok 11865
190: ok 11866
190: ok 11867
190: ok 11868
190: ok 11869
190: ok 11870
190: ok 11871
190: ok 11872
190: ok 11873
190: ok 11874
190: ok 11875
190: ok 11876
190: ok 11877
190: ok 11878
190: ok 11879
190: ok 11880
190: ok 11881
190: ok 11882
190: ok 11883
190: ok 11884
190: ok 11885
190: ok 11886
190: ok 11887
190: ok 11888
190: ok 11889
190: ok 11890
190: ok 11891
190: ok 11892
190: ok 11893
190: ok 11894
190: ok 11895
190: ok 11896
190: ok 11897
190: ok 11898
190: ok 11899
190: ok 11900
190: ok 11901
190: ok 11902
190: ok 11903
190: ok 11904
190: ok 11905
190: ok 11906
190: ok 11907
190: ok 11908
190: ok 11909
190: ok 11910
190: ok 11911
190: ok 11912
190: ok 11913
190: ok 11914
190: ok 11915
190: ok 11916
190: ok 11917
190: ok 11918
190: ok 11919
190: ok 11920
190: ok 11921
190: ok 11922
190: ok 11923
190: ok 11924
190: ok 11925
190: ok 11926
190: ok 11927
190: ok 11928
190: ok 11929
190: ok 11930
190: ok 11931
190: ok 11932
190: ok 11933
190: ok 11934
190: ok 11935
190: ok 11936
190: ok 11937
190: ok 11938
190: ok 11939
190: ok 11940
190: ok 11941
190: ok 11942
190: ok 11943
190: ok 11944
190: ok 11945
190: ok 11946
190: ok 11947
190: ok 11948
190: ok 11949
190: ok 11950
190: ok 11951
190: ok 11952
190: ok 11953
190: ok 11954
190: ok 11955
190: ok 11956
190: ok 11957
190: ok 11958
190: ok 11959
190: ok 11960
190: ok 11961
190: ok 11962
190: ok 11963
190: ok 11964
190: ok 11965
190: ok 11966
190: ok 11967
190: ok 11968
190: ok 11969
190: ok 11970
190: ok 11971
190: ok 11972
190: ok 11973
190: ok 11974
190: ok 11975
190: ok 11976
190: ok 11977
190: ok 11978
190: ok 11979
190: ok 11980
190: ok 11981
190: ok 11982
190: ok 11983
190: ok 11984
190: ok 11985
190: ok 11986
190: ok 11987
190: ok 11988
190: ok 11989
190: ok 11990
190: ok 11991
190: ok 11992
190: ok 11993
190: ok 11994
190: ok 11995
190: ok 11996
190: ok 11997
190: ok 11998
190: ok 11999
190: ok 12000
190: ok 12001
190: ok 12002
190: ok 12003
190: ok 12004
190: ok 12005
190: ok 12006
190: ok 12007
190: ok 12008
190: ok 12009
190: ok 12010
190: ok 12011
190: ok 12012
190: ok 12013
190: ok 12014
190: ok 12015
190: ok 12016
190: ok 12017
190: ok 12018
190: ok 12019
190: ok 12020
190: ok 12021
190: ok 12022
190: ok 12023
190: ok 12024
190: ok 12025
190: ok 12026
190: ok 12027
190: ok 12028
190: ok 12029
190: ok 12030
190: ok 12031
190: ok 12032
190: ok 12033
190: ok 12034
190: ok 12035
190: ok 12036
190: ok 12037
190: ok 12038
190: ok 12039
190: ok 12040
190: ok 12041
190: ok 12042
190: ok 12043
190: ok 12044
190: ok 12045
190: ok 12046
190: ok 12047
190: ok 12048
190: ok 12049
190: ok 12050
190: ok 12051
190: ok 12052
190: ok 12053
190: ok 12054
190: ok 12055
190: ok 12056
190: ok 12057
190: ok 12058
190: ok 12059
190: ok 12060
190: ok 12061
190: ok 12062
190: ok 12063
190: ok 12064
190: ok 12065
190: ok 12066
190: ok 12067
190: ok 12068
190: ok 12069
190: ok 12070
190: ok 12071
190: ok 12072
190: ok 12073
190: ok 12074
190: ok 12075
190: ok 12076
190: ok 12077
190: ok 12078
190: ok 12079
190: ok 12080
190: ok 12081
190: ok 12082
190: ok 12083
190: ok 12084
190: ok 12085
190: ok 12086
190: ok 12087
190: ok 12088
190: ok 12089
190: ok 12090
190: ok 12091
190: ok 12092
190: ok 12093
190: ok 12094
190: ok 12095
190: ok 12096
190: ok 12097
190: ok 12098
190: ok 12099
190: ok 12100
190: ok 12101
190: ok 12102
190: ok 12103
190: ok 12104
190: ok 12105
190: ok 12106
190: ok 12107
190: ok 12108
190: ok 12109
190: ok 12110
190: ok 12111
190: ok 12112
190: ok 12113
190: ok 12114
190: ok 12115
190: ok 12116
190: ok 12117
190: ok 12118
190: ok 12119
190: ok 12120
190: ok 12121
190: ok 12122
190: ok 12123
190: ok 12124
190: ok 12125
190: ok 12126
190: ok 12127
190: ok 12128
190: ok 12129
190: ok 12130
190: ok 12131
190: ok 12132
190: ok 12133
190: ok 12134
190: ok 12135
190: ok 12136
190: ok 12137
190: ok 12138
190: ok 12139
190: ok 12140
190: ok 12141
190: ok 12142
190: ok 12143
190: ok 12144
190: ok 12145
190: ok 12146
190: ok 12147
190: ok 12148
190: ok 12149
190: ok 12150
190: ok 12151
190: ok 12152
190: ok 12153
190: ok 12154
190: ok 12155
190: ok 12156
190: ok 12157
190: ok 12158
190: ok 12159
190: ok 12160
190: ok 12161
190: ok 12162
190: ok 12163
190: ok 12164
190: ok 12165
190: ok 12166
190: ok 12167
190: ok 12168
190: ok 12169
190: ok 12170
190: ok 12171
190: ok 12172
190: ok 12173
190: ok 12174
190: ok 12175
190: ok 12176
190: ok 12177
190: ok 12178
190: ok 12179
190: ok 12180
190: ok 12181
190: ok 12182
190: ok 12183
190: ok 12184
190: ok 12185
190: ok 12186
190: ok 12187
190: ok 12188
190: ok 12189
190: ok 12190
190: ok 12191
190: ok 12192
190: ok 12193
190: ok 12194
190: ok 12195
190: ok 12196
190: ok 12197
190: ok 12198
190: ok 12199
190: ok 12200
190: ok 12201
190: ok 12202
190: ok 12203
190: ok 12204
190: ok 12205
190: ok 12206
190: ok 12207
190: ok 12208
190: ok 12209
190: ok 12210
190: ok 12211
190: ok 12212
190: ok 12213
190: ok 12214
190: ok 12215
190: ok 12216
190: ok 12217
190: ok 12218
190: ok 12219
190: ok 12220
190: ok 12221
190: ok 12222
190: ok 12223
190: ok 12224
190: ok 12225
190: ok 12226
190: ok 12227
190: ok 12228
190: ok 12229
190: ok 12230
190: ok 12231
190: ok 12232
190: ok 12233
190: ok 12234
190: ok 12235
190: ok 12236
190: ok 12237
190: ok 12238
190: ok 12239
190: ok 12240
190: ok 12241
190: ok 12242
190: ok 12243
190: ok 12244
190: ok 12245
190: ok 12246
190: ok 12247
190: ok 12248
190: ok 12249
190: ok 12250
190: ok 12251
190: ok 12252
190: ok 12253
190: ok 12254
190: ok 12255
190: ok 12256
190: ok 12257
190: ok 12258
190: ok 12259
190: ok 12260
190: ok 12261
190: ok 12262
190: ok 12263
190: ok 12264
190: ok 12265
190: ok 12266
190: ok 12267
190: ok 12268
190: ok 12269
190: ok 12270
190: ok 12271
190: ok 12272
190: ok 12273
190: ok 12274
190: ok 12275
190: ok 12276
190: ok 12277
190: ok 12278
190: ok 12279
190: ok 12280
190: ok 12281
190: ok 12282
190: ok 12283
190: ok 12284
190: ok 12285
190: ok 12286
190: ok 12287
190: ok 12288
190: ok 12289
190: ok 12290
190: ok 12291
190: ok 12292
190: ok 12293
190: ok 12294
190: ok 12295
190: ok 12296
190: ok 12297
190: ok 12298
190: ok 12299
190: ok 12300
190: ok 12301
190: ok 12302
190: ok 12303
190: ok 12304
190: ok 12305
190: ok 12306
190: ok 12307
190: ok 12308
190: ok 12309
190: ok 12310
190: ok 12311
190: ok 12312
190: ok 12313
190: ok 12314
190: ok 12315
190: ok 12316
190: ok 12317
190: ok 12318
190: ok 12319
190: ok 12320
190: ok 12321
190: ok 12322
190: ok 12323
190: ok 12324
190: ok 12325
190: ok 12326
190: ok 12327
190: ok 12328
190: ok 12329
190: ok 12330
190: ok 12331
190: ok 12332
190: ok 12333
190: ok 12334
190: ok 12335
190: ok 12336
190: ok 12337
190: ok 12338
190: ok 12339
190: ok 12340
190: ok 12341
190: ok 12342
190: ok 12343
190: ok 12344
190: ok 12345
190: ok 12346
190: ok 12347
190: ok 12348
190: ok 12349
190: ok 12350
190: ok 12351
190: ok 12352
190: ok 12353
190: ok 12354
190: ok 12355
190: ok 12356
190: ok 12357
190: ok 12358
190: ok 12359
190: ok 12360
190: ok 12361
190: ok 12362
190: ok 12363
190: ok 12364
190: ok 12365
190: ok 12366
190: ok 12367
190: ok 12368
190: ok 12369
190: ok 12370
190: ok 12371
190: ok 12372
190: ok 12373
190: ok 12374
190: ok 12375
190: ok 12376
190: ok 12377
190: ok 12378
190: ok 12379
190: ok 12380
190: ok 12381
190: ok 12382
190: ok 12383
190: ok 12384
190: ok 12385
190: ok 12386
190: ok 12387
190: ok 12388
190: ok 12389
190: ok 12390
190: ok 12391
190: ok 12392
190: ok 12393
190: ok 12394
190: ok 12395
190: ok 12396
190: ok 12397
190: ok 12398
190: ok 12399
190: ok 12400
190: ok 12401
190: ok 12402
190: ok 12403
190: ok 12404
190: ok 12405
190: ok 12406
190: ok 12407
190: ok 12408
190: ok 12409
190: ok 12410
190: ok 12411
190: ok 12412
190: ok 12413
190: ok 12414
190: ok 12415
190: ok 12416
190: ok 12417
190: ok 12418
190: ok 12419
190: ok 12420
190: ok 12421
190: ok 12422
190: ok 12423
190: ok 12424
190: ok 12425
190: ok 12426
190: ok 12427
190: ok 12428
190: ok 12429
190: ok 12430
190: ok 12431
190: ok 12432
190: ok 12433
190: ok 12434
190: ok 12435
190: ok 12436
190: ok 12437
190: ok 12438
190: ok 12439
190: ok 12440
190: ok 12441
190: ok 12442
190: ok 12443
190: ok 12444
190: ok 12445
190: ok 12446
190: ok 12447
190: ok 12448
190: ok 12449
190: ok 12450
190: ok 12451
190: ok 12452
190: ok 12453
190: ok 12454
190: ok 12455
190: ok 12456
190: ok 12457
190: ok 12458
190: ok 12459
190: ok 12460
190: ok 12461
190: ok 12462
190: ok 12463
190: ok 12464
190: ok 12465
190: ok 12466
190: ok 12467
190: ok 12468
190: ok 12469
190: ok 12470
190: ok 12471
190: ok 12472
190: ok 12473
190: ok 12474
190: ok 12475
190: ok 12476
190: ok 12477
190: ok 12478
190: ok 12479
190: ok 12480
190: ok 12481
190: ok 12482
190: ok 12483
190: ok 12484
190: ok 12485
190: ok 12486
190: ok 12487
190: ok 12488
190: ok 12489
190: ok 12490
190: ok 12491
190: ok 12492
190: ok 12493
190: ok 12494
190: ok 12495
190: ok 12496
190: ok 12497
190: ok 12498
190: ok 12499
190: ok 12500
190: ok 12501
190: ok 12502
190: ok 12503
190: ok 12504
190: ok 12505
190: ok 12506
190: ok 12507
190: ok 12508
190: ok 12509
190: ok 12510
190: ok 12511
190: ok 12512
190: ok 12513
190: ok 12514
190: ok 12515
190: ok 12516
190: ok 12517
190: ok 12518
190: ok 12519
190: ok 12520
190: ok 12521
190: ok 12522
190: ok 12523
190: ok 12524
190: ok 12525
190: ok 12526
190: ok 12527
190: ok 12528
190: ok 12529
190: ok 12530
190: ok 12531
190: ok 12532
190: ok 12533
190: ok 12534
190: ok 12535
190: ok 12536
190: ok 12537
190: ok 12538
190: ok 12539
190: ok 12540
190: ok 12541
190: ok 12542
190: ok 12543
190: ok 12544
190: ok 12545
190: ok 12546
190: ok 12547
190: ok 12548
190: ok 12549
190: ok 12550
190: ok 12551
190: ok 12552
190: ok 12553
190: ok 12554
190: ok 12555
190: ok 12556
190: ok 12557
190: ok 12558
190: ok 12559
190: ok 12560
190: ok 12561
190: ok 12562
190: ok 12563
190: ok 12564
190: ok 12565
190: ok 12566
190: ok 12567
190: ok 12568
190: ok 12569
190: ok 12570
190: ok 12571
190: ok 12572
190: ok 12573
190: ok 12574
190: ok 12575
190: ok 12576
190: ok 12577
190: ok 12578
190: ok 12579
190: ok 12580
190: ok 12581
190: ok 12582
190: ok 12583
190: ok 12584
190: ok 12585
190: ok 12586
190: ok 12587
190: ok 12588
190: ok 12589
190: ok 12590
190: ok 12591
190: ok 12592
190: ok 12593
190: ok 12594
190: ok 12595
190: ok 12596
190: ok 12597
190: ok 12598
190: ok 12599
190: ok 12600
190: ok 12601
190: ok 12602
190: ok 12603
190: ok 12604
190: ok 12605
190: ok 12606
190: ok 12607
190: ok 12608
190: ok 12609
190: ok 12610
190: ok 12611
190: ok 12612
190: ok 12613
190: ok 12614
190: ok 12615
190: ok 12616
190: ok 12617
190: ok 12618
190: ok 12619
190: ok 12620
190: ok 12621
190: ok 12622
190: ok 12623
190: ok 12624
190: ok 12625
190: ok 12626
190: ok 12627
190: ok 12628
190: ok 12629
190: ok 12630
190: ok 12631
190: ok 12632
190: ok 12633
190: ok 12634
190: ok 12635
190: ok 12636
190: ok 12637
190: ok 12638
190: ok 12639
190: ok 12640
190: ok 12641
190: ok 12642
190: ok 12643
190: ok 12644
190: ok 12645
190: ok 12646
190: ok 12647
190: ok 12648
190: ok 12649
190: ok 12650
190: ok 12651
190: ok 12652
190: ok 12653
190: ok 12654
190: ok 12655
190: ok 12656
190: ok 12657
190: ok 12658
190: ok 12659
190: ok 12660
190: ok 12661
190: ok 12662
190: ok 12663
190: ok 12664
190: ok 12665
190: ok 12666
190: ok 12667
190: ok 12668
190: ok 12669
190: ok 12670
190: ok 12671
190: ok 12672
190: ok 12673
190: ok 12674
190: ok 12675
190: ok 12676
190: ok 12677
190: ok 12678
190: ok 12679
190: ok 12680
190: ok 12681
190: ok 12682
190: ok 12683
190: ok 12684
190: ok 12685
190: ok 12686
190: ok 12687
190: ok 12688
190: ok 12689
190: ok 12690
190: ok 12691
190: ok 12692
190: ok 12693
190: ok 12694
190: ok 12695
190: ok 12696
190: ok 12697
190: ok 12698
190: ok 12699
190: ok 12700
190: ok 12701
190: ok 12702
190: ok 12703
190: ok 12704
190: ok 12705
190: ok 12706
190: ok 12707
190: ok 12708
190: ok 12709
190: ok 12710
190: ok 12711
190: ok 12712
190: ok 12713
190: ok 12714
190: ok 12715
190: ok 12716
190: ok 12717
190: ok 12718
190: ok 12719
190: ok 12720
190: ok 12721
190: ok 12722
190: ok 12723
190: ok 12724
190: ok 12725
190: ok 12726
190: ok 12727
190: ok 12728
190: ok 12729
190: ok 12730
190: ok 12731
190: ok 12732
190: ok 12733
190: ok 12734
190: ok 12735
190: ok 12736
190: ok 12737
190: ok 12738
190: ok 12739
190: ok 12740
190: ok 12741
190: ok 12742
190: ok 12743
190: ok 12744
190: ok 12745
190: ok 12746
190: ok 12747
190: ok 12748
190: ok 12749
190: ok 12750
190: ok 12751
190: ok 12752
190: ok 12753
190: ok 12754
190: ok 12755
190: ok 12756
190: ok 12757
190: ok 12758
190: ok 12759
190: ok 12760
190: ok 12761
190: ok 12762
190: ok 12763
190: ok 12764
190: ok 12765
190: ok 12766
190: ok 12767
190: ok 12768
190: ok 12769
190: ok 12770
190: ok 12771
190: ok 12772
190: ok 12773
190: ok 12774
190: ok 12775
190: ok 12776
190: ok 12777
190: ok 12778
190: ok 12779
190: ok 12780
190: ok 12781
190: ok 12782
190: ok 12783
190: ok 12784
190: ok 12785
190: ok 12786
190: ok 12787
190: ok 12788
190: ok 12789
190: ok 12790
190: ok 12791
190: ok 12792
190: ok 12793
190: ok 12794
190: ok 12795
190: ok 12796
190: ok 12797
190: ok 12798
190: ok 12799
190: ok 12800
190: ok 12801
190: ok 12802
190: ok 12803
190: ok 12804
190: ok 12805
190: ok 12806
190: ok 12807
190: ok 12808
190: ok 12809
190: ok 12810
190: ok 12811
190: ok 12812
190: ok 12813
190: ok 12814
190: ok 12815
190: ok 12816
190: ok 12817
190: ok 12818
190: ok 12819
190: ok 12820
190: ok 12821
190: ok 12822
190: ok 12823
190: ok 12824
190: ok 12825
190: ok 12826
190: ok 12827
190: ok 12828
190: ok 12829
190: ok 12830
190: ok 12831
190: ok 12832
190: ok 12833
190: ok 12834
190: ok 12835
190: ok 12836
190: ok 12837
190: ok 12838
190: ok 12839
190: ok 12840
190: ok 12841
190: ok 12842
190: ok 12843
190: ok 12844
190: ok 12845
190: ok 12846
190: ok 12847
190: ok 12848
190: ok 12849
190: ok 12850
190: ok 12851
190: ok 12852
190: ok 12853
190: ok 12854
190: ok 12855
190: ok 12856
190: ok 12857
190: ok 12858
190: ok 12859
190: ok 12860
190: ok 12861
190: ok 12862
190: ok 12863
190: ok 12864
190: ok 12865
190: ok 12866
190: ok 12867
190: ok 12868
190: ok 12869
190: ok 12870
190: ok 12871
190: ok 12872
190: ok 12873
190: ok 12874
190: ok 12875
190: ok 12876
190: ok 12877
190: ok 12878
190: ok 12879
190: ok 12880
190: ok 12881
190: ok 12882
190: ok 12883
190: ok 12884
190: ok 12885
190: ok 12886
190: ok 12887
190: ok 12888
190: ok 12889
190: ok 12890
190: ok 12891
190: ok 12892
190: ok 12893
190: ok 12894
190: ok 12895
190: ok 12896
190: ok 12897
190: ok 12898
190: ok 12899
190: ok 12900
190: ok 12901
190: ok 12902
190: ok 12903
190: ok 12904
190: ok 12905
190: ok 12906
190: ok 12907
190: ok 12908
190: ok 12909
190: ok 12910
190: ok 12911
190: ok 12912
190: ok 12913
190: ok 12914
190: ok 12915
190: ok 12916
190: ok 12917
190: ok 12918
190: ok 12919
190: ok 12920
190: ok 12921
190: ok 12922
190: ok 12923
190: ok 12924
190: ok 12925
190: ok 12926
190: ok 12927
190: ok 12928
190: ok 12929
190: ok 12930
190: ok 12931
190: ok 12932
190: ok 12933
190: ok 12934
190: ok 12935
190: ok 12936
190: ok 12937
190: ok 12938
190: ok 12939
190: ok 12940
190: ok 12941
190: ok 12942
190: ok 12943
190: ok 12944
190: ok 12945
190: ok 12946
190: ok 12947
190: ok 12948
190: ok 12949
190: ok 12950
190: ok 12951
190: ok 12952
190: ok 12953
190: ok 12954
190: ok 12955
190: ok 12956
190: ok 12957
190: ok 12958
190: ok 12959
190: ok 12960
190: ok 12961
190: ok 12962
190: ok 12963
190: ok 12964
190: ok 12965
190: ok 12966
190: ok 12967
190: ok 12968
190: ok 12969
190: ok 12970
190: ok 12971
190: ok 12972
190: ok 12973
190: ok 12974
190: ok 12975
190: ok 12976
190: ok 12977
190: ok 12978
190: ok 12979
190: ok 12980
190: ok 12981
190: ok 12982
190: ok 12983
190: ok 12984
190: ok 12985
190: ok 12986
190: ok 12987
190: ok 12988
190: ok 12989
190: ok 12990
190: ok 12991
190: ok 12992
190: ok 12993
190: ok 12994
190: ok 12995
190: ok 12996
190: ok 12997
190: ok 12998
190: ok 12999
190: ok 13000
190: ok 13001
190: ok 13002
190: ok 13003
190: ok 13004
190: ok 13005
190: ok 13006
190: ok 13007
190: ok 13008
190: ok 13009
190: ok 13010
190: ok 13011
190: ok 13012
190: ok 13013
190: ok 13014
190: ok 13015
190: ok 13016
190: ok 13017
190: ok 13018
190: ok 13019
190: ok 13020
190: ok 13021
190: ok 13022
190: ok 13023
190: ok 13024
190: ok 13025
190: ok 13026
190: ok 13027
190: ok 13028
190: ok 13029
190: ok 13030
190: ok 13031
190: ok 13032
190: ok 13033
190: ok 13034
190: ok 13035
190: ok 13036
190: ok 13037
190: ok 13038
190: ok 13039
190: ok 13040
190: ok 13041
190: ok 13042
190: ok 13043
190: ok 13044
190: ok 13045
190: ok 13046
190: ok 13047
190: ok 13048
190: ok 13049
190: ok 13050
190: ok 13051
190: ok 13052
190: ok 13053
190: ok 13054
190: ok 13055
190: ok 13056
190: ok 13057
190: ok 13058
190: ok 13059
190: ok 13060
190: ok 13061
190: ok 13062
190: ok 13063
190: ok 13064
190: ok 13065
190: ok 13066
190: ok 13067
190: ok 13068
190: ok 13069
190: ok 13070
190: ok 13071
190: ok 13072
190: ok 13073
190: ok 13074
190: ok 13075
190: ok 13076
190: ok 13077
190: ok 13078
190: ok 13079
190: ok 13080
190: ok 13081
190: ok 13082
190: ok 13083
190: ok 13084
190: ok 13085
190: ok 13086
190: ok 13087
190: ok 13088
190: ok 13089
190: ok 13090
190: ok 13091
190: ok 13092
190: ok 13093
190: ok 13094
190: ok 13095
190: ok 13096
190: ok 13097
190: ok 13098
190: ok 13099
190: ok 13100
190: ok 13101
190: ok 13102
190: ok 13103
190: ok 13104
190: ok 13105
190: ok 13106
190: ok 13107
190: ok 13108
190: ok 13109
190: ok 13110
190: ok 13111
190: ok 13112
190: ok 13113
190: ok 13114
190: ok 13115
190: ok 13116
190: ok 13117
190: ok 13118
190: ok 13119
190: ok 13120
190: ok 13121
190: ok 13122
190: ok 13123
190: ok 13124
190: ok 13125
190: ok 13126
190: ok 13127
190: ok 13128
190: ok 13129
190: ok 13130
190: ok 13131
190: ok 13132
190: ok 13133
190: ok 13134
190: ok 13135
190: ok 13136
190: ok 13137
190: ok 13138
190: ok 13139
190: ok 13140
190: ok 13141
190: ok 13142
190: ok 13143
190: ok 13144
190: ok 13145
190: ok 13146
190: ok 13147
190: ok 13148
190: ok 13149
190: ok 13150
190: ok 13151
190: ok 13152
190: ok 13153
190: ok 13154
190: ok 13155
190: ok 13156
190: ok 13157
190: ok 13158
190: ok 13159
190: ok 13160
190: ok 13161
190: ok 13162
190: ok 13163
190: ok 13164
190: ok 13165
190: ok 13166
190: ok 13167
190: ok 13168
190: ok 13169
190: ok 13170
190: ok 13171
190: ok 13172
190: ok 13173
190: ok 13174
190: ok 13175
190: ok 13176
190: ok 13177
190: ok 13178
190: ok 13179
190: ok 13180
190: ok 13181
190: ok 13182
190: ok 13183
190: ok 13184
190: ok 13185
190: ok 13186
190: ok 13187
190: ok 13188
190: ok 13189
190: ok 13190
190: ok 13191
190: ok 13192
190: ok 13193
190: ok 13194
190: ok 13195
190: ok 13196
190: ok 13197
190: ok 13198
190: ok 13199
190: ok 13200
190: ok 13201
190: ok 13202
190: ok 13203
190: ok 13204
190: ok 13205
190: ok 13206
190: ok 13207
190: ok 13208
190: ok 13209
190: ok 13210
190: ok 13211
190: ok 13212
190: ok 13213
190: ok 13214
190: ok 13215
190: ok 13216
190: ok 13217
190: ok 13218
190: ok 13219
190: ok 13220
190: ok 13221
190: ok 13222
190: ok 13223
190: ok 13224
190: ok 13225
190: ok 13226
190: ok 13227
190: ok 13228
190: ok 13229
190: ok 13230
190: ok 13231
190: ok 13232
190: ok 13233
190: ok 13234
190: ok 13235
190: ok 13236
190: ok 13237
190: ok 13238
190: ok 13239
190: ok 13240
190: ok 13241
190: ok 13242
190: ok 13243
190: ok 13244
190: ok 13245
190: ok 13246
190: ok 13247
190: ok 13248
190: ok 13249
190: ok 13250
190: ok 13251
190: ok 13252
190: ok 13253
190: ok 13254
190: ok 13255
190: ok 13256
190: ok 13257
190: ok 13258
190: ok 13259
190: ok 13260
190: ok 13261
190: ok 13262
190: ok 13263
190: ok 13264
190: ok 13265
190: ok 13266
190: ok 13267
190: ok 13268
190: ok 13269
190: ok 13270
190: ok 13271
190: ok 13272
190: ok 13273
190: ok 13274
190: ok 13275
190: ok 13276
190: ok 13277
190: ok 13278
190: ok 13279
190: ok 13280
190: ok 13281
190: ok 13282
190: ok 13283
190: ok 13284
190: ok 13285
190: ok 13286
190: ok 13287
190: ok 13288
190: ok 13289
190: ok 13290
190: ok 13291
190: ok 13292
190: ok 13293
190: ok 13294
190: ok 13295
190: ok 13296
190: ok 13297
190: ok 13298
190: ok 13299
190: ok 13300
190: ok 13301
190: ok 13302
190: ok 13303
190: ok 13304
190: ok 13305
190: ok 13306
190: ok 13307
190: ok 13308
190: ok 13309
190: ok 13310
190: ok 13311
190: ok 13312
190: ok 13313
190: ok 13314
190: ok 13315
190: ok 13316
190: ok 13317
190: ok 13318
190: ok 13319
190: ok 13320
190: ok 13321
190: ok 13322
190: ok 13323
190: ok 13324
190: ok 13325
190: ok 13326
190: ok 13327
190: ok 13328
190: ok 13329
190: ok 13330
190: ok 13331
190: ok 13332
190: ok 13333
190: ok 13334
190: ok 13335
190: ok 13336
190: ok 13337
190: ok 13338
190: ok 13339
190: ok 13340
190: ok 13341
190: ok 13342
190: ok 13343
190: ok 13344
190: ok 13345
190: ok 13346
190: ok 13347
190: ok 13348
190: ok 13349
190: ok 13350
190: ok 13351
190: ok 13352
190: ok 13353
190: ok 13354
190: ok 13355
190: ok 13356
190: ok 13357
190: ok 13358
190: ok 13359
190: ok 13360
190: ok 13361
190: ok 13362
190: ok 13363
190: ok 13364
190: ok 13365
190: ok 13366
190: ok 13367
190: ok 13368
190: ok 13369
190: ok 13370
190: ok 13371
190: ok 13372
190: ok 13373
190: ok 13374
190: ok 13375
190: ok 13376
190: ok 13377
190: ok 13378
190: ok 13379
190: ok 13380
190: ok 13381
190: ok 13382
190: ok 13383
190: ok 13384
190: ok 13385
190: ok 13386
190: ok 13387
190: ok 13388
190: ok 13389
190: ok 13390
190: ok 13391
190: ok 13392
190: ok 13393
190: ok 13394
190: ok 13395
190: ok 13396
190: ok 13397
190: ok 13398
190: ok 13399
190: ok 13400
190: ok 13401
190: ok 13402
190: ok 13403
190: ok 13404
190: ok 13405
190: ok 13406
190: ok 13407
190: ok 13408
190: ok 13409
190: ok 13410
190: ok 13411
190: ok 13412
190: ok 13413
190: ok 13414
190: ok 13415
190: ok 13416
190: ok 13417
190: ok 13418
190: ok 13419
190: ok 13420
190: ok 13421
190: ok 13422
190: ok 13423
190: ok 13424
190: ok 13425
190: ok 13426
190: ok 13427
190: ok 13428
190: ok 13429
190: ok 13430
190: ok 13431
190: ok 13432
190: ok 13433
190: ok 13434
190: ok 13435
190: ok 13436
190: ok 13437
190: ok 13438
190: ok 13439
190: ok 13440
190: ok 13441
190: ok 13442
190: ok 13443
190: ok 13444
190: ok 13445
190: ok 13446
190: ok 13447
190: ok 13448
190: ok 13449
190: ok 13450
190: ok 13451
190: ok 13452
190: ok 13453
190: ok 13454
190: ok 13455
190: ok 13456
190: ok 13457
190: ok 13458
190: ok 13459
190: ok 13460
190: ok 13461
190: ok 13462
190: ok 13463
190: ok 13464
190: ok 13465
190: ok 13466
190: ok 13467
190: ok 13468
190: ok 13469
190: ok 13470
190: ok 13471
190: ok 13472
190: ok 13473
190: ok 13474
190: ok 13475
190: ok 13476
190: ok 13477
190: ok 13478
190: ok 13479
190: ok 13480
190: ok 13481
190: ok 13482
190: ok 13483
190: ok 13484
190: ok 13485
190: ok 13486
190: ok 13487
190: ok 13488
190: ok 13489
190: ok 13490
190: ok 13491
190: ok 13492
190: ok 13493
190: ok 13494
190: ok 13495
190: ok 13496
190: ok 13497
190: ok 13498
190: ok 13499
190: ok 13500
190: ok 13501
190: ok 13502
190: ok 13503
190: ok 13504
190: ok 13505
190: ok 13506
190: ok 13507
190: ok 13508
190: ok 13509
190: ok 13510
190: ok 13511
190: ok 13512
190: ok 13513
190: ok 13514
190: ok 13515
190: ok 13516
190: ok 13517
190: ok 13518
190: ok 13519
190: ok 13520
190: ok 13521
190: ok 13522
190: ok 13523
190: ok 13524
190: ok 13525
190: ok 13526
190: ok 13527
190: ok 13528
190: ok 13529
190: ok 13530
190: ok 13531
190: ok 13532
190: ok 13533
190: ok 13534
190: ok 13535
190: ok 13536
190: ok 13537
190: ok 13538
190: ok 13539
190: ok 13540
190: ok 13541
190: ok 13542
190: ok 13543
190: ok 13544
190: ok 13545
190: ok 13546
190: ok 13547
190: ok 13548
190: ok 13549
190: ok 13550
190: ok 13551
190: ok 13552
190: ok 13553
190: ok 13554
190: ok 13555
190: ok 13556
190: ok 13557
190: ok 13558
190: ok 13559
190: ok 13560
190: ok 13561
190: ok 13562
190: ok 13563
190: ok 13564
190: ok 13565
190: ok 13566
190: ok 13567
190: ok 13568
190: ok 13569
190: ok 13570
190: ok 13571
190: ok 13572
190: ok 13573
190: ok 13574
190: ok 13575
190: ok 13576
190: ok 13577
190: ok 13578
190: ok 13579
190: ok 13580
190: ok 13581
190: ok 13582
190: ok 13583
190: ok 13584
190: ok 13585
190: ok 13586
190: ok 13587
190: ok 13588
190: ok 13589
190: ok 13590
190: ok 13591
190: ok 13592
190: ok 13593
190: ok 13594
190: ok 13595
190: ok 13596
190: ok 13597
190: ok 13598
190: ok 13599
190: ok 13600
190: ok 13601
190: ok 13602
190: ok 13603
190: ok 13604
190: ok 13605
190: ok 13606
190: ok 13607
190: ok 13608
190: ok 13609
190: ok 13610
190: ok 13611
190: ok 13612
190: ok 13613
190: ok 13614
190: ok 13615
190: ok 13616
190: ok 13617
190: ok 13618
190: ok 13619
190: ok 13620
190: ok 13621
190: ok 13622
190: ok 13623
190: ok 13624
190: ok 13625
190: ok 13626
190: ok 13627
190: ok 13628
190: ok 13629
190: ok 13630
190: ok 13631
190: ok 13632
190: ok 13633
190: ok 13634
190: ok 13635
190: ok 13636
190: ok 13637
190: ok 13638
190: ok 13639
190: ok 13640
190: ok 13641
190: ok 13642
190: ok 13643
190: ok 13644
190: ok 13645
190: ok 13646
190: ok 13647
190: ok 13648
190: ok 13649
190: ok 13650
190: ok 13651
190: ok 13652
190: ok 13653
190: ok 13654
190: ok 13655
190: ok 13656
190: ok 13657
190: ok 13658
190: ok 13659
190: ok 13660
190: ok 13661
190: ok 13662
190: ok 13663
190: ok 13664
190: ok 13665
190: ok 13666
190: ok 13667
190: ok 13668
190: ok 13669
190: ok 13670
190: ok 13671
190: ok 13672
190: ok 13673
190: ok 13674
190: ok 13675
190: ok 13676
190: ok 13677
190: ok 13678
190: ok 13679
190: ok 13680
190: ok 13681
190: ok 13682
190: ok 13683
190: ok 13684
190: ok 13685
190: ok 13686
190: ok 13687
190: ok 13688
190: ok 13689
190: ok 13690
190: ok 13691
190: ok 13692
190: ok 13693
190: ok 13694
190: ok 13695
190: ok 13696
190: ok 13697
190: ok 13698
190: ok 13699
190: ok 13700
190: ok 13701
190: ok 13702
190: ok 13703
190: ok 13704
190: ok 13705
190: ok 13706
190: ok 13707
190: ok 13708
190: ok 13709
190: ok 13710
190: ok 13711
190: ok 13712
190: ok 13713
190: ok 13714
190: ok 13715
190: ok 13716
190: ok 13717
190: ok 13718
190: ok 13719
190: ok 13720
190: ok 13721
190: ok 13722
190: ok 13723
190: ok 13724
190: ok 13725
190: ok 13726
190: ok 13727
190: ok 13728
190: ok 13729
190: ok 13730
190: ok 13731
190: ok 13732
190: ok 13733
190: ok 13734
190: ok 13735
190: ok 13736
190: ok 13737
190: ok 13738
190: ok 13739
190: ok 13740
190: ok 13741
190: ok 13742
190: ok 13743
190: ok 13744
190: ok 13745
190: ok 13746
190: ok 13747
190: ok 13748
190: ok 13749
190: ok 13750
190: ok 13751
190: ok 13752
190: ok 13753
190: ok 13754
190: ok 13755
190: ok 13756
190: ok 13757
190: ok 13758
190: ok 13759
190: ok 13760
190: ok 13761
190: ok 13762
190: ok 13763
190: ok 13764
190: ok 13765
190: ok 13766
190: ok 13767
190: ok 13768
190: ok 13769
190: ok 13770
190: ok 13771
190: ok 13772
190: ok 13773
190: ok 13774
190: ok 13775
190: ok 13776
190: ok 13777
190: ok 13778
190: ok 13779
190: ok 13780
190: ok 13781
190: ok 13782
190: ok 13783
190: ok 13784
190: ok 13785
190: ok 13786
190: ok 13787
190: ok 13788
190: ok 13789
190: ok 13790
190: ok 13791
190: ok 13792
190: ok 13793
190: ok 13794
190: ok 13795
190: ok 13796
190: ok 13797
190: ok 13798
190: ok 13799
190: ok 13800
190: ok 13801
190: ok 13802
190: ok 13803
190: ok 13804
190: ok 13805
190: ok 13806
190: ok 13807
190: ok 13808
190: ok 13809
190: ok 13810
190: ok 13811
190: ok 13812
190: ok 13813
190: ok 13814
190: ok 13815
190: ok 13816
190: ok 13817
190: ok 13818
190: ok 13819
190: ok 13820
190: ok 13821
190: ok 13822
190: ok 13823
190: ok 13824
190: ok 13825
190: ok 13826
190: ok 13827
190: ok 13828
190: ok 13829
190: ok 13830
190: ok 13831
190: ok 13832
190: ok 13833
190: ok 13834
190: ok 13835
190: ok 13836
190: ok 13837
190: ok 13838
190: ok 13839
190: ok 13840
190: ok 13841
190: ok 13842
190: ok 13843
190: ok 13844
190: ok 13845
190: ok 13846
190: ok 13847
190: ok 13848
190: ok 13849
190: ok 13850
190: ok 13851
190: ok 13852
190: ok 13853
190: ok 13854
190: ok 13855
190: ok 13856
190: ok 13857
190: ok 13858
190: ok 13859
190: ok 13860
190: ok 13861
190: ok 13862
190: ok 13863
190: ok 13864
190: ok 13865
190: ok 13866
190: ok 13867
190: ok 13868
190: ok 13869
190: ok 13870
190: ok 13871
190: ok 13872
190: ok 13873
190: ok 13874
190: ok 13875
190: ok 13876
190: ok 13877
190: ok 13878
190: ok 13879
190: ok 13880
190: ok 13881
190: ok 13882
190: ok 13883
190: ok 13884
190: ok 13885
190: ok 13886
190: ok 13887
190: ok 13888
190: ok 13889
190: ok 13890
190: ok 13891
190: ok 13892
190: ok 13893
190: ok 13894
190: ok 13895
190: ok 13896
190: ok 13897
190: ok 13898
190: ok 13899
190: ok 13900
190: ok 13901
190: ok 13902
190: ok 13903
190: ok 13904
190: ok 13905
190: ok 13906
190: ok 13907
190: ok 13908
190: ok 13909
190: ok 13910
190: ok 13911
190: ok 13912
190: ok 13913
190: ok 13914
190: ok 13915
190: ok 13916
190: ok 13917
190: ok 13918
190: ok 13919
190: ok 13920
190: ok 13921
190: ok 13922
190: ok 13923
190: ok 13924
190: ok 13925
190: ok 13926
190: ok 13927
190: ok 13928
190: ok 13929
190: ok 13930
190: ok 13931
190: ok 13932
190: ok 13933
190: ok 13934
190: ok 13935
190: ok 13936
190: ok 13937
190: ok 13938
190: ok 13939
190: ok 13940
190: ok 13941
190: ok 13942
190: ok 13943
190: ok 13944
190: ok 13945
190: ok 13946
190: ok 13947
190: ok 13948
190: ok 13949
190: ok 13950
190: ok 13951
190: ok 13952
190: ok 13953
190: ok 13954
190: ok 13955
190: ok 13956
190: ok 13957
190: ok 13958
190: ok 13959
190: ok 13960
190: ok 13961
190: ok 13962
190: ok 13963
190: ok 13964
190: ok 13965
190: ok 13966
190: ok 13967
190: ok 13968
190: ok 13969
190: ok 13970
190: ok 13971
190: ok 13972
190: ok 13973
190: ok 13974
190: ok 13975
190: ok 13976
190: ok 13977
190: ok 13978
190: ok 13979
190: ok 13980
190: ok 13981
190: ok 13982
190: ok 13983
190: ok 13984
190: ok 13985
190: ok 13986
190: ok 13987
190: ok 13988
190: ok 13989
190: ok 13990
190: ok 13991
190: ok 13992
190: ok 13993
190: ok 13994
190: ok 13995
190: ok 13996
190: ok 13997
190: ok 13998
190: ok 13999
190: ok 14000
190: ok 14001
190: ok 14002
190: ok 14003
190: ok 14004
190: ok 14005
190: ok 14006
190: ok 14007
190: ok 14008
190: ok 14009
190: ok 14010
190: ok 14011
190: ok 14012
190: ok 14013
190: ok 14014
190: ok 14015
190: ok 14016
190: ok 14017
190: ok 14018
190: ok 14019
190: ok 14020
190: ok 14021
190: ok 14022
190: ok 14023
190: ok 14024
190: ok 14025
190: ok 14026
190: ok 14027
190: ok 14028
190: ok 14029
190: ok 14030
190: ok 14031
190: ok 14032
190: ok 14033
190: ok 14034
190: ok 14035
190: ok 14036
190: ok 14037
190: ok 14038
190: ok 14039
190: ok 14040
190: ok 14041
190: ok 14042
190: ok 14043
190: ok 14044
190: ok 14045
190: ok 14046
190: ok 14047
190: ok 14048
190: ok 14049
190: ok 14050
190: ok 14051
190: ok 14052
190: ok 14053
190: ok 14054
190: ok 14055
190: ok 14056
190: ok 14057
190: ok 14058
190: ok 14059
190: ok 14060
190: ok 14061
190: ok 14062
190: ok 14063
190: ok 14064
190: ok 14065
190: ok 14066
190: ok 14067
190: ok 14068
190: ok 14069
190: ok 14070
190: ok 14071
190: ok 14072
190: ok 14073
190: ok 14074
190: ok 14075
190: ok 14076
190: ok 14077
190: ok 14078
190: ok 14079
190: ok 14080
190: ok 14081
190: ok 14082
190: ok 14083
190: ok 14084
190: ok 14085
190: ok 14086
190: ok 14087
190: ok 14088
190: ok 14089
190: ok 14090
190: ok 14091
190: ok 14092
190: ok 14093
190: ok 14094
190: ok 14095
190: ok 14096
190: ok 14097
190: ok 14098
190: ok 14099
190: ok 14100
190: ok 14101
190: ok 14102
190: ok 14103
190: ok 14104
190: ok 14105
190: ok 14106
190: ok 14107
190: ok 14108
190: ok 14109
190: ok 14110
190: ok 14111
190: ok 14112
190: ok 14113
190: ok 14114
190: ok 14115
190: ok 14116
190: ok 14117
190: ok 14118
190: ok 14119
190: ok 14120
190: ok 14121
190: ok 14122
190: ok 14123
190: ok 14124
190: ok 14125
190: ok 14126
190: ok 14127
190: ok 14128
190: ok 14129
190: ok 14130
190: ok 14131
190: ok 14132
190: ok 14133
190: ok 14134
190: ok 14135
190: ok 14136
190: ok 14137
190: ok 14138
190: ok 14139
190: ok 14140
190: ok 14141
190: ok 14142
190: ok 14143
190: ok 14144
190: ok 14145
190: ok 14146
190: ok 14147
190: ok 14148
190: ok 14149
190: ok 14150
190: ok 14151
190: ok 14152
190: ok 14153
190: ok 14154
190: ok 14155
190: ok 14156
190: ok 14157
190: ok 14158
190: ok 14159
190: ok 14160
190: ok 14161
190: ok 14162
190: ok 14163
190: ok 14164
190: ok 14165
190: ok 14166
190: ok 14167
190: ok 14168
190: ok 14169
190: ok 14170
190: ok 14171
190: ok 14172
190: ok 14173
190: ok 14174
190: ok 14175
190: ok 14176
190: ok 14177
190: ok 14178
190: ok 14179
190: ok 14180
190: ok 14181
190: ok 14182
190: ok 14183
190: ok 14184
190: ok 14185
190: ok 14186
190: ok 14187
190: ok 14188
190: ok 14189
190: ok 14190
190: ok 14191
190: ok 14192
190: ok 14193
190: ok 14194
190: ok 14195
190: ok 14196
190: ok 14197
190: ok 14198
190: ok 14199
190: ok 14200
190: ok 14201
190: ok 14202
190: ok 14203
190: ok 14204
190: ok 14205
190: ok 14206
190: ok 14207
190: ok 14208
190: ok 14209
190: ok 14210
190: ok 14211
190: ok 14212
190: ok 14213
190: ok 14214
190: ok 14215
190: ok 14216
190: ok 14217
190: ok 14218
190: ok 14219
190: ok 14220
190: ok 14221
190: ok 14222
190: ok 14223
190: ok 14224
190: ok 14225
190: ok 14226
190: ok 14227
190: ok 14228
190: ok 14229
190: ok 14230
190: ok 14231
190: ok 14232
190: ok 14233
190: ok 14234
190: ok 14235
190: ok 14236
190: ok 14237
190: ok 14238
190: ok 14239
190: ok 14240
190: ok 14241
190: ok 14242
190: ok 14243
190: ok 14244
190: ok 14245
190: ok 14246
190: ok 14247
190: ok 14248
190: ok 14249
190: ok 14250
190: ok 14251
190: ok 14252
190: ok 14253
190: ok 14254
190: ok 14255
190: ok 14256
190: ok 14257
190: ok 14258
190: ok 14259
190: ok 14260
190: ok 14261
190: ok 14262
190: ok 14263
190: ok 14264
190: ok 14265
190: ok 14266
190: ok 14267
190: ok 14268
190: ok 14269
190: ok 14270
190: ok 14271
190: ok 14272
190: ok 14273
190: ok 14274
190: ok 14275
190: ok 14276
190: ok 14277
190: ok 14278
190: ok 14279
190: ok 14280
190: ok 14281
190: ok 14282
190: ok 14283
190: ok 14284
190: ok 14285
190: ok 14286
190: ok 14287
190: ok 14288
190: ok 14289
190: ok 14290
190: ok 14291
190: ok 14292
190: ok 14293
190: ok 14294
190: ok 14295
190: ok 14296
190: ok 14297
190: ok 14298
190: ok 14299
190: ok 14300
190: ok 14301
190: ok 14302
190: ok 14303
190: ok 14304
190: ok 14305
190: ok 14306
190: ok 14307
190: ok 14308
190: ok 14309
190: ok 14310
190: ok 14311
190: ok 14312
190: ok 14313
190: ok 14314
190: ok 14315
190: ok 14316
190: ok 14317
190: ok 14318
190: ok 14319
190: ok 14320
190: ok 14321
190: ok 14322
190: ok 14323
190: ok 14324
190: ok 14325
190: ok 14326
190: ok 14327
190: ok 14328
190: ok 14329
190: ok 14330
190: ok 14331
190: ok 14332
190: ok 14333
190: ok 14334
190: ok 14335
190: ok 14336
190: ok 14337
190: ok 14338
190: ok 14339
190: ok 14340
190: ok 14341
190: ok 14342
190: ok 14343
190: ok 14344
190: ok 14345
190: ok 14346
190: ok 14347
190: ok 14348
190: ok 14349
190: ok 14350
190: ok 14351
190: ok 14352
190: ok 14353
190: ok 14354
190: ok 14355
190: ok 14356
190: ok 14357
190: ok 14358
190: ok 14359
190: ok 14360
190: ok 14361
190: ok 14362
190: ok 14363
190: ok 14364
190: ok 14365
190: ok 14366
190: ok 14367
190: ok 14368
190: ok 14369
190: ok 14370
190: ok 14371
190: ok 14372
190: ok 14373
190: ok 14374
190: ok 14375
190: ok 14376
190: ok 14377
190: ok 14378
190: ok 14379
190: ok 14380
190: ok 14381
190: ok 14382
190: ok 14383
190: ok 14384
190: ok 14385
190: ok 14386
190: ok 14387
190: ok 14388
190: ok 14389
190: ok 14390
190: ok 14391
190: ok 14392
190: ok 14393
190: ok 14394
190: ok 14395
190: ok 14396
190: ok 14397
190: ok 14398
190: ok 14399
190: ok 14400
190: ok 14401
190: ok 14402
190: ok 14403
190: ok 14404
190: ok 14405
190: ok 14406
190: ok 14407
190: ok 14408
190: ok 14409
190: ok 14410
190: ok 14411
190: ok 14412
190: ok 14413
190: ok 14414
190: ok 14415
190: ok 14416
190: ok 14417
190: ok 14418
190: ok 14419
190: ok 14420
190: ok 14421
190: ok 14422
190: ok 14423
190: ok 14424
190: ok 14425
190: ok 14426
190: ok 14427
190: ok 14428
190: ok 14429
190: ok 14430
190: ok 14431
190: ok 14432
190: ok 14433
190: ok 14434
190: ok 14435
190: ok 14436
190: ok 14437
190: ok 14438
190: ok 14439
190: ok 14440
190: ok 14441
190: ok 14442
190: ok 14443
190: ok 14444
190: ok 14445
190: ok 14446
190: ok 14447
190: ok 14448
190: ok 14449
190: ok 14450
190: ok 14451
190: ok 14452
190: ok 14453
190: ok 14454
190: ok 14455
190: ok 14456
190: ok 14457
190: ok 14458
190: ok 14459
190: ok 14460
190: ok 14461
190: ok 14462
190: ok 14463
190: ok 14464
190: ok 14465
190: ok 14466
190: ok 14467
190: ok 14468
190: ok 14469
190: ok 14470
190: ok 14471
190: ok 14472
190: ok 14473
190: ok 14474
190: ok 14475
190: ok 14476
190: ok 14477
190: ok 14478
190: ok 14479
190: ok 14480
190: ok 14481
190: ok 14482
190: ok 14483
190: ok 14484
190: ok 14485
190: ok 14486
190: ok 14487
190: ok 14488
190: ok 14489
190: ok 14490
190: ok 14491
190: ok 14492
190: ok 14493
190: ok 14494
190: ok 14495
190: ok 14496
190: ok 14497
190: ok 14498
190: ok 14499
190: ok 14500
190: ok 14501
190: ok 14502
190: ok 14503
190: ok 14504
190: ok 14505
190: ok 14506
190: ok 14507
190: ok 14508
190: ok 14509
190: ok 14510
190: ok 14511
190: ok 14512
190: ok 14513
190: ok 14514
190: ok 14515
190: ok 14516
190: ok 14517
190: ok 14518
190: ok 14519
190: ok 14520
190: ok 14521
190: ok 14522
190: ok 14523
190: ok 14524
190: ok 14525
190: ok 14526
190: ok 14527
190: ok 14528
190: ok 14529
190: ok 14530
190: ok 14531
190: ok 14532
190: ok 14533
190: ok 14534
190: ok 14535
190: ok 14536
190: ok 14537
190: ok 14538
190: ok 14539
190: ok 14540
190: ok 14541
190: ok 14542
190: ok 14543
190: ok 14544
190: ok 14545
190: ok 14546
190: ok 14547
190: ok 14548
190: ok 14549
190: ok 14550
190: ok 14551
190: ok 14552
190: ok 14553
190: ok 14554
190: ok 14555
190: ok 14556
190: ok 14557
190: ok 14558
190: ok 14559
190: ok 14560
190: ok 14561
190: ok 14562
190: ok 14563
190: ok 14564
190: ok 14565
190: ok 14566
190: ok 14567
190: ok 14568
190: ok 14569
190: ok 14570
190: ok 14571
190: ok 14572
190: ok 14573
190: ok 14574
190: ok 14575
190: ok 14576
190: ok 14577
190: ok 14578
190: ok 14579
190: ok 14580
190: ok 14581
190: ok 14582
190: ok 14583
190: ok 14584
190: ok 14585
190: ok 14586
190: ok 14587
190: ok 14588
190: ok 14589
190: ok 14590
190: ok 14591
190: ok 14592
190: ok 14593
190: ok 14594
190: ok 14595
190: ok 14596
190: ok 14597
190: ok 14598
190: ok 14599
190: ok 14600
190: ok 14601
190: ok 14602
190: ok 14603
190: ok 14604
190: ok 14605
190: ok 14606
190: ok 14607
190: ok 14608
190: ok 14609
190: ok 14610
190: ok 14611
190: ok 14612
190: ok 14613
190: ok 14614
190: ok 14615
190: ok 14616
190: ok 14617
190: ok 14618
190: ok 14619
190: ok 14620
190: ok 14621
190: ok 14622
190: ok 14623
190: ok 14624
190: ok 14625
190: ok 14626
190: ok 14627
190: ok 14628
190: ok 14629
190: ok 14630
190: ok 14631
190: ok 14632
190: ok 14633
190: ok 14634
190: ok 14635
190: ok 14636
190: ok 14637
190: ok 14638
190: ok 14639
190: ok 14640
190: ok 14641
190: ok 14642
190: ok 14643
190: ok 14644
190: ok 14645
190: ok 14646
190: ok 14647
190: ok 14648
190: ok 14649
190: ok 14650
190: ok 14651
190: ok 14652
190: ok 14653
190: ok 14654
190: ok 14655
190: ok 14656
190: ok 14657
190: ok 14658
190: ok 14659
190: ok 14660
190: ok 14661
190: ok 14662
190: ok 14663
190: ok 14664
190: ok 14665
190: ok 14666
190: ok 14667
190: ok 14668
190: ok 14669
190: ok 14670
190: ok 14671
190: ok 14672
190: ok 14673
190: ok 14674
190: ok 14675
190: ok 14676
190: ok 14677
190: ok 14678
190: ok 14679
190: ok 14680
190: ok 14681
190: ok 14682
190: ok 14683
190: ok 14684
190: ok 14685
190: ok 14686
190: ok 14687
190: ok 14688
190: ok 14689
190: ok 14690
190: ok 14691
190: ok 14692
190: ok 14693
190: ok 14694
190: ok 14695
190: ok 14696
190: ok 14697
190: ok 14698
190: ok 14699
190: ok 14700
190: ok 14701
190: ok 14702
190: ok 14703
190: ok 14704
190: ok 14705
190: ok 14706
190: ok 14707
190: ok 14708
190: ok 14709
190: ok 14710
190: ok 14711
190: ok 14712
190: ok 14713
190: ok 14714
190: ok 14715
190: ok 14716
190: ok 14717
190: ok 14718
190: ok 14719
190: ok 14720
190: ok 14721
190: ok 14722
190: ok 14723
190: ok 14724
190: ok 14725
190: ok 14726
190: ok 14727
190: ok 14728
190: ok 14729
190: ok 14730
190: ok 14731
190: ok 14732
190: ok 14733
190: ok 14734
190: ok 14735
190: ok 14736
190: ok 14737
190: ok 14738
190: ok 14739
190: ok 14740
190: ok 14741
190: ok 14742
190: ok 14743
190: ok 14744
190: ok 14745
190: ok 14746
190: ok 14747
190: ok 14748
190: ok 14749
190: ok 14750
190: ok 14751
190: ok 14752
190: ok 14753
190: ok 14754
190: ok 14755
190: ok 14756
190: ok 14757
190: ok 14758
190: ok 14759
190: ok 14760
190: ok 14761
190: ok 14762
190: ok 14763
190: ok 14764
190: ok 14765
190: ok 14766
190: ok 14767
190: ok 14768
190: ok 14769
190: ok 14770
190: ok 14771
190: ok 14772
190: ok 14773
190: ok 14774
190: ok 14775
190: ok 14776
190: ok 14777
190: ok 14778
190: ok 14779
190: ok 14780
190: ok 14781
190: ok 14782
190: ok 14783
190: ok 14784
190: ok 14785
190: ok 14786
190: ok 14787
190: ok 14788
190: ok 14789
190: ok 14790
190: ok 14791
190: ok 14792
190: ok 14793
190: ok 14794
190: ok 14795
190: ok 14796
190: ok 14797
190: ok 14798
190: ok 14799
190: ok 14800
190: ok 14801
190: ok 14802
190: ok 14803
190: ok 14804
190: ok 14805
190: ok 14806
190: ok 14807
190: ok 14808
190: ok 14809
190: ok 14810
190: ok 14811
190: ok 14812
190: ok 14813
190: ok 14814
190: ok 14815
190: ok 14816
190: ok 14817
190: ok 14818
190: ok 14819
190: ok 14820
190: ok 14821
190: ok 14822
190: ok 14823
190: ok 14824
190: ok 14825
190: ok 14826
190: ok 14827
190: ok 14828
190: ok 14829
190: ok 14830
190: ok 14831
190: ok 14832
190: ok 14833
190: ok 14834
190: ok 14835
190: ok 14836
190: ok 14837
190: ok 14838
190: ok 14839
190: ok 14840
190: ok 14841
190: ok 14842
190: ok 14843
190: ok 14844
190: ok 14845
190: ok 14846
190: ok 14847
190: ok 14848
190: ok 14849
190: ok 14850
190: ok 14851
190: ok 14852
190: ok 14853
190: ok 14854
190: ok 14855
190: ok 14856
190: ok 14857
190: ok 14858
190: ok 14859
190: ok 14860
190: ok 14861
190: ok 14862
190: ok 14863
190: ok 14864
190: ok 14865
190: ok 14866
190: ok 14867
190: ok 14868
190: ok 14869
190: ok 14870
190: ok 14871
190: ok 14872
190: ok 14873
190: ok 14874
190: ok 14875
190: ok 14876
190: ok 14877
190: ok 14878
190: ok 14879
190: ok 14880
190: ok 14881
190: ok 14882
190: ok 14883
190: ok 14884
190: ok 14885
190: ok 14886
190: ok 14887
190: ok 14888
190: ok 14889
190: ok 14890
190: ok 14891
190: ok 14892
190: ok 14893
190: ok 14894
190: ok 14895
190: ok 14896
190: ok 14897
190: ok 14898
190: ok 14899
190: ok 14900
190: ok 14901
190: ok 14902
190: ok 14903
190: ok 14904
190: ok 14905
190: ok 14906
190: ok 14907
190: ok 14908
190: ok 14909
190: ok 14910
190: ok 14911
190: ok 14912
190: ok 14913
190: ok 14914
190: ok 14915
190: ok 14916
190: ok 14917
190: ok 14918
190: ok 14919
190: ok 14920
190: ok 14921
190: ok 14922
190: ok 14923
190: ok 14924
190: ok 14925
190: ok 14926
190: ok 14927
190: ok 14928
190: ok 14929
190: ok 14930
190: ok 14931
190: ok 14932
190: ok 14933
190: ok 14934
190: ok 14935
190: ok 14936
190: ok 14937
190: ok 14938
190: ok 14939
190: ok 14940
190: ok 14941
190: ok 14942
190: ok 14943
190: ok 14944
190: ok 14945
190: ok 14946
190: ok 14947
190: ok 14948
190: ok 14949
190: ok 14950
190: ok 14951
190: ok 14952
190: ok 14953
190: ok 14954
190: ok 14955
190: ok 14956
190: ok 14957
190: ok 14958
190: ok 14959
190: ok 14960
190: ok 14961
190: ok 14962
190: ok 14963
190: ok 14964
190: ok 14965
190: ok 14966
190: ok 14967
190: ok 14968
190: ok 14969
190: ok 14970
190: ok 14971
190: ok 14972
190: ok 14973
190: ok 14974
190: ok 14975
190: ok 14976
190: ok 14977
190: ok 14978
190: ok 14979
190: ok 14980
190: ok 14981
190: ok 14982
190: ok 14983
190: ok 14984
190: ok 14985
190: ok 14986
190: ok 14987
190: ok 14988
190: ok 14989
190: ok 14990
190: ok 14991
190: ok 14992
190: ok 14993
190: ok 14994
190: ok 14995
190: ok 14996
190: ok 14997
190: ok 14998
190: ok 14999
190: ok 15000
190: # math: passed testBasics_vector3
190: # math: entering testBasics_matrix3x3
190: ok 15001
190: ok 15002
190: ok 15003
190: ok 15004
190: ok 15005
190: ok 15006
190: ok 15007
190: ok 15008
190: ok 15009
190: ok 15010
190: ok 15011
190: ok 15012
190: ok 15013
190: ok 15014
190: ok 15015
190: ok 15016
190: ok 15017
190: ok 15018
190: ok 15019
190: ok 15020
190: ok 15021
190: ok 15022
190: ok 15023
190: ok 15024
190: ok 15025
190: ok 15026
190: ok 15027
190: ok 15028
190: ok 15029
190: ok 15030
190: ok 15031
190: ok 15032
190: ok 15033
190: ok 15034
190: ok 15035
190: ok 15036
190: ok 15037
190: ok 15038
190: ok 15039
190: ok 15040
190: ok 15041
190: ok 15042
190: ok 15043
190: ok 15044
190: ok 15045
190: ok 15046
190: ok 15047
190: ok 15048
190: ok 15049
190: ok 15050
190: ok 15051
190: ok 15052
190: ok 15053
190: ok 15054
190: ok 15055
190: ok 15056
190: ok 15057
190: ok 15058
190: ok 15059
190: ok 15060
190: ok 15061
190: ok 15062
190: ok 15063
190: ok 15064
190: ok 15065
190: ok 15066
190: ok 15067
190: ok 15068
190: ok 15069
190: ok 15070
190: ok 15071
190: ok 15072
190: ok 15073
190: ok 15074
190: ok 15075
190: ok 15076
190: ok 15077
190: ok 15078
190: ok 15079
190: ok 15080
190: ok 15081
190: ok 15082
190: ok 15083
190: ok 15084
190: ok 15085
190: ok 15086
190: ok 15087
190: ok 15088
190: ok 15089
190: ok 15090
190: ok 15091
190: ok 15092
190: ok 15093
190: ok 15094
190: ok 15095
190: ok 15096
190: ok 15097
190: ok 15098
190: ok 15099
190: ok 15100
190: ok 15101
190: ok 15102
190: ok 15103
190: ok 15104
190: ok 15105
190: ok 15106
190: ok 15107
190: ok 15108
190: ok 15109
190: ok 15110
190: ok 15111
190: ok 15112
190: ok 15113
190: ok 15114
190: ok 15115
190: ok 15116
190: ok 15117
190: ok 15118
190: ok 15119
190: ok 15120
190: ok 15121
190: ok 15122
190: ok 15123
190: ok 15124
190: ok 15125
190: ok 15126
190: ok 15127
190: ok 15128
190: ok 15129
190: ok 15130
190: ok 15131
190: ok 15132
190: ok 15133
190: ok 15134
190: ok 15135
190: ok 15136
190: ok 15137
190: ok 15138
190: ok 15139
190: ok 15140
190: ok 15141
190: ok 15142
190: ok 15143
190: ok 15144
190: ok 15145
190: ok 15146
190: ok 15147
190: ok 15148
190: ok 15149
190: ok 15150
190: ok 15151
190: ok 15152
190: ok 15153
190: ok 15154
190: ok 15155
190: ok 15156
190: ok 15157
190: ok 15158
190: ok 15159
190: ok 15160
190: ok 15161
190: ok 15162
190: ok 15163
190: ok 15164
190: ok 15165
190: ok 15166
190: ok 15167
190: ok 15168
190: ok 15169
190: ok 15170
190: ok 15171
190: ok 15172
190: ok 15173
190: ok 15174
190: ok 15175
190: ok 15176
190: ok 15177
190: ok 15178
190: ok 15179
190: ok 15180
190: ok 15181
190: ok 15182
190: ok 15183
190: ok 15184
190: ok 15185
190: ok 15186
190: ok 15187
190: ok 15188
190: ok 15189
190: ok 15190
190: ok 15191
190: ok 15192
190: ok 15193
190: ok 15194
190: ok 15195
190: ok 15196
190: ok 15197
190: ok 15198
190: ok 15199
190: ok 15200
190: ok 15201
190: ok 15202
190: ok 15203
190: ok 15204
190: ok 15205
190: ok 15206
190: ok 15207
190: ok 15208
190: ok 15209
190: ok 15210
190: ok 15211
190: ok 15212
190: ok 15213
190: ok 15214
190: ok 15215
190: ok 15216
190: ok 15217
190: ok 15218
190: ok 15219
190: ok 15220
190: ok 15221
190: ok 15222
190: ok 15223
190: ok 15224
190: ok 15225
190: ok 15226
190: ok 15227
190: ok 15228
190: ok 15229
190: ok 15230
190: ok 15231
190: ok 15232
190: ok 15233
190: ok 15234
190: ok 15235
190: ok 15236
190: ok 15237
190: ok 15238
190: ok 15239
190: ok 15240
190: ok 15241
190: ok 15242
190: ok 15243
190: ok 15244
190: ok 15245
190: ok 15246
190: ok 15247
190: ok 15248
190: ok 15249
190: ok 15250
190: ok 15251
190: ok 15252
190: ok 15253
190: ok 15254
190: ok 15255
190: ok 15256
190: ok 15257
190: ok 15258
190: ok 15259
190: ok 15260
190: ok 15261
190: ok 15262
190: ok 15263
190: ok 15264
190: ok 15265
190: ok 15266
190: ok 15267
190: ok 15268
190: ok 15269
190: ok 15270
190: ok 15271
190: ok 15272
190: ok 15273
190: ok 15274
190: ok 15275
190: ok 15276
190: ok 15277
190: ok 15278
190: ok 15279
190: ok 15280
190: ok 15281
190: ok 15282
190: ok 15283
190: ok 15284
190: ok 15285
190: ok 15286
190: ok 15287
190: ok 15288
190: ok 15289
190: ok 15290
190: ok 15291
190: ok 15292
190: ok 15293
190: ok 15294
190: ok 15295
190: ok 15296
190: ok 15297
190: ok 15298
190: ok 15299
190: ok 15300
190: ok 15301
190: ok 15302
190: ok 15303
190: ok 15304
190: ok 15305
190: ok 15306
190: ok 15307
190: ok 15308
190: ok 15309
190: ok 15310
190: ok 15311
190: ok 15312
190: ok 15313
190: ok 15314
190: ok 15315
190: ok 15316
190: ok 15317
190: ok 15318
190: ok 15319
190: ok 15320
190: ok 15321
190: ok 15322
190: ok 15323
190: ok 15324
190: ok 15325
190: ok 15326
190: ok 15327
190: ok 15328
190: ok 15329
190: ok 15330
190: ok 15331
190: ok 15332
190: ok 15333
190: ok 15334
190: ok 15335
190: ok 15336
190: ok 15337
190: ok 15338
190: ok 15339
190: ok 15340
190: ok 15341
190: ok 15342
190: ok 15343
190: ok 15344
190: ok 15345
190: ok 15346
190: ok 15347
190: ok 15348
190: ok 15349
190: ok 15350
190: ok 15351
190: ok 15352
190: ok 15353
190: ok 15354
190: ok 15355
190: ok 15356
190: ok 15357
190: ok 15358
190: ok 15359
190: ok 15360
190: ok 15361
190: ok 15362
190: ok 15363
190: ok 15364
190: ok 15365
190: ok 15366
190: ok 15367
190: ok 15368
190: ok 15369
190: ok 15370
190: ok 15371
190: ok 15372
190: ok 15373
190: ok 15374
190: ok 15375
190: ok 15376
190: ok 15377
190: ok 15378
190: ok 15379
190: ok 15380
190: ok 15381
190: ok 15382
190: ok 15383
190: ok 15384
190: ok 15385
190: ok 15386
190: ok 15387
190: ok 15388
190: ok 15389
190: ok 15390
190: ok 15391
190: ok 15392
190: ok 15393
190: ok 15394
190: ok 15395
190: ok 15396
190: ok 15397
190: ok 15398
190: ok 15399
190: ok 15400
190: ok 15401
190: ok 15402
190: ok 15403
190: ok 15404
190: ok 15405
190: ok 15406
190: ok 15407
190: ok 15408
190: ok 15409
190: ok 15410
190: ok 15411
190: ok 15412
190: ok 15413
190: ok 15414
190: ok 15415
190: ok 15416
190: ok 15417
190: ok 15418
190: ok 15419
190: ok 15420
190: ok 15421
190: ok 15422
190: ok 15423
190: ok 15424
190: ok 15425
190: ok 15426
190: ok 15427
190: ok 15428
190: ok 15429
190: ok 15430
190: ok 15431
190: ok 15432
190: ok 15433
190: ok 15434
190: ok 15435
190: ok 15436
190: ok 15437
190: ok 15438
190: ok 15439
190: ok 15440
190: ok 15441
190: ok 15442
190: ok 15443
190: ok 15444
190: ok 15445
190: ok 15446
190: ok 15447
190: ok 15448
190: ok 15449
190: ok 15450
190: ok 15451
190: ok 15452
190: ok 15453
190: ok 15454
190: ok 15455
190: ok 15456
190: ok 15457
190: ok 15458
190: ok 15459
190: ok 15460
190: ok 15461
190: ok 15462
190: ok 15463
190: ok 15464
190: ok 15465
190: ok 15466
190: ok 15467
190: ok 15468
190: ok 15469
190: ok 15470
190: ok 15471
190: ok 15472
190: ok 15473
190: ok 15474
190: ok 15475
190: ok 15476
190: ok 15477
190: ok 15478
190: ok 15479
190: ok 15480
190: ok 15481
190: ok 15482
190: ok 15483
190: ok 15484
190: ok 15485
190: ok 15486
190: ok 15487
190: ok 15488
190: ok 15489
190: ok 15490
190: ok 15491
190: ok 15492
190: ok 15493
190: ok 15494
190: ok 15495
190: ok 15496
190: ok 15497
190: ok 15498
190: ok 15499
190: ok 15500
190: ok 15501
190: ok 15502
190: ok 15503
190: ok 15504
190: ok 15505
190: ok 15506
190: ok 15507
190: ok 15508
190: ok 15509
190: ok 15510
190: ok 15511
190: ok 15512
190: ok 15513
190: ok 15514
190: ok 15515
190: ok 15516
190: ok 15517
190: ok 15518
190: ok 15519
190: ok 15520
190: ok 15521
190: ok 15522
190: ok 15523
190: ok 15524
190: ok 15525
190: ok 15526
190: ok 15527
190: ok 15528
190: ok 15529
190: ok 15530
190: ok 15531
190: ok 15532
190: ok 15533
190: ok 15534
190: ok 15535
190: ok 15536
190: ok 15537
190: ok 15538
190: ok 15539
190: ok 15540
190: ok 15541
190: ok 15542
190: ok 15543
190: ok 15544
190: ok 15545
190: ok 15546
190: ok 15547
190: ok 15548
190: ok 15549
190: ok 15550
190: ok 15551
190: ok 15552
190: ok 15553
190: ok 15554
190: ok 15555
190: ok 15556
190: ok 15557
190: ok 15558
190: ok 15559
190: ok 15560
190: ok 15561
190: ok 15562
190: ok 15563
190: ok 15564
190: ok 15565
190: ok 15566
190: ok 15567
190: ok 15568
190: ok 15569
190: ok 15570
190: ok 15571
190: ok 15572
190: ok 15573
190: ok 15574
190: ok 15575
190: ok 15576
190: ok 15577
190: ok 15578
190: ok 15579
190: ok 15580
190: ok 15581
190: ok 15582
190: ok 15583
190: ok 15584
190: ok 15585
190: ok 15586
190: ok 15587
190: ok 15588
190: ok 15589
190: ok 15590
190: ok 15591
190: ok 15592
190: ok 15593
190: ok 15594
190: ok 15595
190: ok 15596
190: ok 15597
190: ok 15598
190: ok 15599
190: ok 15600
190: ok 15601
190: ok 15602
190: ok 15603
190: ok 15604
190: ok 15605
190: ok 15606
190: ok 15607
190: ok 15608
190: ok 15609
190: ok 15610
190: ok 15611
190: ok 15612
190: ok 15613
190: ok 15614
190: ok 15615
190: ok 15616
190: ok 15617
190: ok 15618
190: ok 15619
190: ok 15620
190: ok 15621
190: ok 15622
190: ok 15623
190: ok 15624
190: ok 15625
190: ok 15626
190: ok 15627
190: ok 15628
190: ok 15629
190: ok 15630
190: ok 15631
190: ok 15632
190: ok 15633
190: ok 15634
190: ok 15635
190: ok 15636
190: ok 15637
190: ok 15638
190: ok 15639
190: ok 15640
190: ok 15641
190: ok 15642
190: ok 15643
190: ok 15644
190: ok 15645
190: ok 15646
190: ok 15647
190: ok 15648
190: ok 15649
190: ok 15650
190: ok 15651
190: ok 15652
190: ok 15653
190: ok 15654
190: ok 15655
190: ok 15656
190: ok 15657
190: ok 15658
190: ok 15659
190: ok 15660
190: ok 15661
190: ok 15662
190: ok 15663
190: ok 15664
190: ok 15665
190: ok 15666
190: ok 15667
190: ok 15668
190: ok 15669
190: ok 15670
190: ok 15671
190: ok 15672
190: ok 15673
190: ok 15674
190: ok 15675
190: ok 15676
190: ok 15677
190: ok 15678
190: ok 15679
190: ok 15680
190: ok 15681
190: ok 15682
190: ok 15683
190: ok 15684
190: ok 15685
190: ok 15686
190: ok 15687
190: ok 15688
190: ok 15689
190: ok 15690
190: ok 15691
190: ok 15692
190: ok 15693
190: ok 15694
190: ok 15695
190: ok 15696
190: ok 15697
190: ok 15698
190: ok 15699
190: ok 15700
190: ok 15701
190: ok 15702
190: ok 15703
190: ok 15704
190: ok 15705
190: ok 15706
190: ok 15707
190: ok 15708
190: ok 15709
190: ok 15710
190: ok 15711
190: ok 15712
190: ok 15713
190: ok 15714
190: ok 15715
190: ok 15716
190: ok 15717
190: ok 15718
190: ok 15719
190: ok 15720
190: ok 15721
190: ok 15722
190: ok 15723
190: ok 15724
190: ok 15725
190: ok 15726
190: ok 15727
190: ok 15728
190: ok 15729
190: ok 15730
190: ok 15731
190: ok 15732
190: ok 15733
190: ok 15734
190: ok 15735
190: ok 15736
190: ok 15737
190: ok 15738
190: ok 15739
190: ok 15740
190: ok 15741
190: ok 15742
190: ok 15743
190: ok 15744
190: ok 15745
190: ok 15746
190: ok 15747
190: ok 15748
190: ok 15749
190: ok 15750
190: ok 15751
190: ok 15752
190: ok 15753
190: ok 15754
190: ok 15755
190: ok 15756
190: ok 15757
190: ok 15758
190: ok 15759
190: ok 15760
190: ok 15761
190: ok 15762
190: ok 15763
190: ok 15764
190: ok 15765
190: ok 15766
190: ok 15767
190: ok 15768
190: ok 15769
190: ok 15770
190: ok 15771
190: ok 15772
190: ok 15773
190: ok 15774
190: ok 15775
190: ok 15776
190: ok 15777
190: ok 15778
190: ok 15779
190: ok 15780
190: ok 15781
190: ok 15782
190: ok 15783
190: ok 15784
190: ok 15785
190: ok 15786
190: ok 15787
190: ok 15788
190: ok 15789
190: ok 15790
190: ok 15791
190: ok 15792
190: ok 15793
190: ok 15794
190: ok 15795
190: ok 15796
190: ok 15797
190: ok 15798
190: ok 15799
190: ok 15800
190: ok 15801
190: ok 15802
190: ok 15803
190: ok 15804
190: ok 15805
190: ok 15806
190: ok 15807
190: ok 15808
190: ok 15809
190: ok 15810
190: ok 15811
190: ok 15812
190: ok 15813
190: ok 15814
190: ok 15815
190: ok 15816
190: ok 15817
190: ok 15818
190: ok 15819
190: ok 15820
190: ok 15821
190: ok 15822
190: ok 15823
190: ok 15824
190: ok 15825
190: ok 15826
190: ok 15827
190: ok 15828
190: ok 15829
190: ok 15830
190: ok 15831
190: ok 15832
190: ok 15833
190: ok 15834
190: ok 15835
190: ok 15836
190: ok 15837
190: ok 15838
190: ok 15839
190: ok 15840
190: ok 15841
190: ok 15842
190: ok 15843
190: ok 15844
190: ok 15845
190: ok 15846
190: ok 15847
190: ok 15848
190: ok 15849
190: ok 15850
190: ok 15851
190: ok 15852
190: ok 15853
190: ok 15854
190: ok 15855
190: ok 15856
190: ok 15857
190: ok 15858
190: ok 15859
190: ok 15860
190: ok 15861
190: ok 15862
190: ok 15863
190: ok 15864
190: ok 15865
190: ok 15866
190: ok 15867
190: ok 15868
190: ok 15869
190: ok 15870
190: ok 15871
190: ok 15872
190: ok 15873
190: ok 15874
190: ok 15875
190: ok 15876
190: ok 15877
190: ok 15878
190: ok 15879
190: ok 15880
190: ok 15881
190: ok 15882
190: ok 15883
190: ok 15884
190: ok 15885
190: ok 15886
190: ok 15887
190: ok 15888
190: ok 15889
190: ok 15890
190: ok 15891
190: ok 15892
190: ok 15893
190: ok 15894
190: ok 15895
190: ok 15896
190: ok 15897
190: ok 15898
190: ok 15899
190: ok 15900
190: ok 15901
190: ok 15902
190: ok 15903
190: ok 15904
190: ok 15905
190: ok 15906
190: ok 15907
190: ok 15908
190: ok 15909
190: ok 15910
190: ok 15911
190: ok 15912
190: ok 15913
190: ok 15914
190: ok 15915
190: ok 15916
190: ok 15917
190: ok 15918
190: ok 15919
190: ok 15920
190: ok 15921
190: ok 15922
190: ok 15923
190: ok 15924
190: ok 15925
190: ok 15926
190: ok 15927
190: ok 15928
190: ok 15929
190: ok 15930
190: ok 15931
190: ok 15932
190: ok 15933
190: ok 15934
190: ok 15935
190: ok 15936
190: ok 15937
190: ok 15938
190: ok 15939
190: ok 15940
190: ok 15941
190: ok 15942
190: ok 15943
190: ok 15944
190: ok 15945
190: ok 15946
190: ok 15947
190: ok 15948
190: ok 15949
190: ok 15950
190: ok 15951
190: ok 15952
190: ok 15953
190: ok 15954
190: ok 15955
190: ok 15956
190: ok 15957
190: ok 15958
190: ok 15959
190: ok 15960
190: ok 15961
190: ok 15962
190: ok 15963
190: ok 15964
190: ok 15965
190: ok 15966
190: ok 15967
190: ok 15968
190: ok 15969
190: ok 15970
190: ok 15971
190: ok 15972
190: ok 15973
190: ok 15974
190: ok 15975
190: ok 15976
190: ok 15977
190: ok 15978
190: ok 15979
190: ok 15980
190: ok 15981
190: ok 15982
190: ok 15983
190: ok 15984
190: ok 15985
190: ok 15986
190: ok 15987
190: ok 15988
190: ok 15989
190: ok 15990
190: ok 15991
190: ok 15992
190: ok 15993
190: ok 15994
190: ok 15995
190: ok 15996
190: ok 15997
190: ok 15998
190: ok 15999
190: ok 16000
190: ok 16001
190: ok 16002
190: ok 16003
190: ok 16004
190: ok 16005
190: ok 16006
190: ok 16007
190: ok 16008
190: ok 16009
190: ok 16010
190: ok 16011
190: ok 16012
190: ok 16013
190: ok 16014
190: ok 16015
190: ok 16016
190: ok 16017
190: ok 16018
190: ok 16019
190: ok 16020
190: ok 16021
190: ok 16022
190: ok 16023
190: ok 16024
190: ok 16025
190: ok 16026
190: ok 16027
190: ok 16028
190: ok 16029
190: ok 16030
190: ok 16031
190: ok 16032
190: ok 16033
190: ok 16034
190: ok 16035
190: ok 16036
190: ok 16037
190: ok 16038
190: ok 16039
190: ok 16040
190: ok 16041
190: ok 16042
190: ok 16043
190: ok 16044
190: ok 16045
190: ok 16046
190: ok 16047
190: ok 16048
190: ok 16049
190: ok 16050
190: ok 16051
190: ok 16052
190: ok 16053
190: ok 16054
190: ok 16055
190: ok 16056
190: ok 16057
190: ok 16058
190: ok 16059
190: ok 16060
190: ok 16061
190: ok 16062
190: ok 16063
190: ok 16064
190: ok 16065
190: ok 16066
190: ok 16067
190: ok 16068
190: ok 16069
190: ok 16070
190: ok 16071
190: ok 16072
190: ok 16073
190: ok 16074
190: ok 16075
190: ok 16076
190: ok 16077
190: ok 16078
190: ok 16079
190: ok 16080
190: ok 16081
190: ok 16082
190: ok 16083
190: ok 16084
190: ok 16085
190: ok 16086
190: ok 16087
190: ok 16088
190: ok 16089
190: ok 16090
190: ok 16091
190: ok 16092
190: ok 16093
190: ok 16094
190: ok 16095
190: ok 16096
190: ok 16097
190: ok 16098
190: ok 16099
190: ok 16100
190: ok 16101
190: ok 16102
190: ok 16103
190: ok 16104
190: ok 16105
190: ok 16106
190: ok 16107
190: ok 16108
190: ok 16109
190: ok 16110
190: ok 16111
190: ok 16112
190: ok 16113
190: ok 16114
190: ok 16115
190: ok 16116
190: ok 16117
190: ok 16118
190: ok 16119
190: ok 16120
190: ok 16121
190: ok 16122
190: ok 16123
190: ok 16124
190: ok 16125
190: ok 16126
190: ok 16127
190: ok 16128
190: ok 16129
190: ok 16130
190: ok 16131
190: ok 16132
190: ok 16133
190: ok 16134
190: ok 16135
190: ok 16136
190: ok 16137
190: ok 16138
190: ok 16139
190: ok 16140
190: ok 16141
190: ok 16142
190: ok 16143
190: ok 16144
190: ok 16145
190: ok 16146
190: ok 16147
190: ok 16148
190: ok 16149
190: ok 16150
190: ok 16151
190: ok 16152
190: ok 16153
190: ok 16154
190: ok 16155
190: ok 16156
190: ok 16157
190: ok 16158
190: ok 16159
190: ok 16160
190: ok 16161
190: ok 16162
190: ok 16163
190: ok 16164
190: ok 16165
190: ok 16166
190: ok 16167
190: ok 16168
190: ok 16169
190: ok 16170
190: ok 16171
190: ok 16172
190: ok 16173
190: ok 16174
190: ok 16175
190: ok 16176
190: ok 16177
190: ok 16178
190: ok 16179
190: ok 16180
190: ok 16181
190: ok 16182
190: ok 16183
190: ok 16184
190: ok 16185
190: ok 16186
190: ok 16187
190: ok 16188
190: ok 16189
190: ok 16190
190: ok 16191
190: ok 16192
190: ok 16193
190: ok 16194
190: ok 16195
190: ok 16196
190: ok 16197
190: ok 16198
190: ok 16199
190: ok 16200
190: ok 16201
190: ok 16202
190: ok 16203
190: ok 16204
190: ok 16205
190: ok 16206
190: ok 16207
190: ok 16208
190: ok 16209
190: ok 16210
190: ok 16211
190: ok 16212
190: ok 16213
190: ok 16214
190: ok 16215
190: ok 16216
190: ok 16217
190: ok 16218
190: ok 16219
190: ok 16220
190: ok 16221
190: ok 16222
190: ok 16223
190: ok 16224
190: ok 16225
190: ok 16226
190: ok 16227
190: ok 16228
190: ok 16229
190: ok 16230
190: ok 16231
190: ok 16232
190: ok 16233
190: ok 16234
190: ok 16235
190: ok 16236
190: ok 16237
190: ok 16238
190: ok 16239
190: ok 16240
190: ok 16241
190: ok 16242
190: ok 16243
190: ok 16244
190: ok 16245
190: ok 16246
190: ok 16247
190: ok 16248
190: ok 16249
190: ok 16250
190: ok 16251
190: ok 16252
190: ok 16253
190: ok 16254
190: ok 16255
190: ok 16256
190: ok 16257
190: ok 16258
190: ok 16259
190: ok 16260
190: ok 16261
190: ok 16262
190: ok 16263
190: ok 16264
190: ok 16265
190: ok 16266
190: ok 16267
190: ok 16268
190: ok 16269
190: ok 16270
190: ok 16271
190: ok 16272
190: ok 16273
190: ok 16274
190: ok 16275
190: ok 16276
190: ok 16277
190: ok 16278
190: ok 16279
190: ok 16280
190: ok 16281
190: ok 16282
190: ok 16283
190: ok 16284
190: ok 16285
190: ok 16286
190: ok 16287
190: ok 16288
190: ok 16289
190: ok 16290
190: ok 16291
190: ok 16292
190: ok 16293
190: ok 16294
190: ok 16295
190: ok 16296
190: ok 16297
190: ok 16298
190: ok 16299
190: ok 16300
190: ok 16301
190: ok 16302
190: ok 16303
190: ok 16304
190: ok 16305
190: ok 16306
190: ok 16307
190: ok 16308
190: ok 16309
190: ok 16310
190: ok 16311
190: ok 16312
190: ok 16313
190: ok 16314
190: ok 16315
190: ok 16316
190: ok 16317
190: ok 16318
190: ok 16319
190: ok 16320
190: ok 16321
190: ok 16322
190: ok 16323
190: ok 16324
190: ok 16325
190: ok 16326
190: ok 16327
190: ok 16328
190: ok 16329
190: ok 16330
190: ok 16331
190: ok 16332
190: ok 16333
190: ok 16334
190: ok 16335
190: ok 16336
190: ok 16337
190: ok 16338
190: ok 16339
190: ok 16340
190: ok 16341
190: ok 16342
190: ok 16343
190: ok 16344
190: ok 16345
190: ok 16346
190: ok 16347
190: ok 16348
190: ok 16349
190: ok 16350
190: ok 16351
190: ok 16352
190: ok 16353
190: ok 16354
190: ok 16355
190: ok 16356
190: ok 16357
190: ok 16358
190: ok 16359
190: ok 16360
190: ok 16361
190: ok 16362
190: ok 16363
190: ok 16364
190: ok 16365
190: ok 16366
190: ok 16367
190: ok 16368
190: ok 16369
190: ok 16370
190: ok 16371
190: ok 16372
190: ok 16373
190: ok 16374
190: ok 16375
190: ok 16376
190: ok 16377
190: ok 16378
190: ok 16379
190: ok 16380
190: ok 16381
190: ok 16382
190: ok 16383
190: ok 16384
190: ok 16385
190: ok 16386
190: ok 16387
190: ok 16388
190: ok 16389
190: ok 16390
190: ok 16391
190: ok 16392
190: ok 16393
190: ok 16394
190: ok 16395
190: ok 16396
190: ok 16397
190: ok 16398
190: ok 16399
190: ok 16400
190: ok 16401
190: ok 16402
190: ok 16403
190: ok 16404
190: ok 16405
190: ok 16406
190: ok 16407
190: ok 16408
190: ok 16409
190: ok 16410
190: ok 16411
190: ok 16412
190: ok 16413
190: ok 16414
190: ok 16415
190: ok 16416
190: ok 16417
190: ok 16418
190: ok 16419
190: ok 16420
190: ok 16421
190: ok 16422
190: ok 16423
190: ok 16424
190: ok 16425
190: ok 16426
190: ok 16427
190: ok 16428
190: ok 16429
190: ok 16430
190: ok 16431
190: ok 16432
190: ok 16433
190: ok 16434
190: ok 16435
190: ok 16436
190: ok 16437
190: ok 16438
190: ok 16439
190: ok 16440
190: ok 16441
190: ok 16442
190: ok 16443
190: ok 16444
190: ok 16445
190: ok 16446
190: ok 16447
190: ok 16448
190: ok 16449
190: ok 16450
190: ok 16451
190: ok 16452
190: ok 16453
190: ok 16454
190: ok 16455
190: ok 16456
190: ok 16457
190: ok 16458
190: ok 16459
190: ok 16460
190: ok 16461
190: ok 16462
190: ok 16463
190: ok 16464
190: ok 16465
190: ok 16466
190: ok 16467
190: ok 16468
190: ok 16469
190: ok 16470
190: ok 16471
190: ok 16472
190: ok 16473
190: ok 16474
190: ok 16475
190: ok 16476
190: ok 16477
190: ok 16478
190: ok 16479
190: ok 16480
190: ok 16481
190: ok 16482
190: ok 16483
190: ok 16484
190: ok 16485
190: ok 16486
190: ok 16487
190: ok 16488
190: ok 16489
190: ok 16490
190: ok 16491
190: ok 16492
190: ok 16493
190: ok 16494
190: ok 16495
190: ok 16496
190: ok 16497
190: ok 16498
190: ok 16499
190: ok 16500
190: ok 16501
190: ok 16502
190: ok 16503
190: ok 16504
190: ok 16505
190: ok 16506
190: ok 16507
190: ok 16508
190: ok 16509
190: ok 16510
190: ok 16511
190: ok 16512
190: ok 16513
190: ok 16514
190: ok 16515
190: ok 16516
190: ok 16517
190: ok 16518
190: ok 16519
190: ok 16520
190: ok 16521
190: ok 16522
190: ok 16523
190: ok 16524
190: ok 16525
190: ok 16526
190: ok 16527
190: ok 16528
190: ok 16529
190: ok 16530
190: ok 16531
190: ok 16532
190: ok 16533
190: ok 16534
190: ok 16535
190: ok 16536
190: ok 16537
190: ok 16538
190: ok 16539
190: ok 16540
190: ok 16541
190: ok 16542
190: ok 16543
190: ok 16544
190: ok 16545
190: ok 16546
190: ok 16547
190: ok 16548
190: ok 16549
190: ok 16550
190: ok 16551
190: ok 16552
190: ok 16553
190: ok 16554
190: ok 16555
190: ok 16556
190: ok 16557
190: ok 16558
190: ok 16559
190: ok 16560
190: ok 16561
190: ok 16562
190: ok 16563
190: ok 16564
190: ok 16565
190: ok 16566
190: ok 16567
190: ok 16568
190: ok 16569
190: ok 16570
190: ok 16571
190: ok 16572
190: ok 16573
190: ok 16574
190: ok 16575
190: ok 16576
190: ok 16577
190: ok 16578
190: ok 16579
190: ok 16580
190: ok 16581
190: ok 16582
190: ok 16583
190: ok 16584
190: ok 16585
190: ok 16586
190: ok 16587
190: ok 16588
190: ok 16589
190: ok 16590
190: ok 16591
190: ok 16592
190: ok 16593
190: ok 16594
190: ok 16595
190: ok 16596
190: ok 16597
190: ok 16598
190: ok 16599
190: ok 16600
190: ok 16601
190: ok 16602
190: ok 16603
190: ok 16604
190: ok 16605
190: ok 16606
190: ok 16607
190: ok 16608
190: ok 16609
190: ok 16610
190: ok 16611
190: ok 16612
190: ok 16613
190: ok 16614
190: ok 16615
190: ok 16616
190: ok 16617
190: ok 16618
190: ok 16619
190: ok 16620
190: ok 16621
190: ok 16622
190: ok 16623
190: ok 16624
190: ok 16625
190: ok 16626
190: ok 16627
190: ok 16628
190: ok 16629
190: ok 16630
190: ok 16631
190: ok 16632
190: ok 16633
190: ok 16634
190: ok 16635
190: ok 16636
190: ok 16637
190: ok 16638
190: ok 16639
190: ok 16640
190: ok 16641
190: ok 16642
190: ok 16643
190: ok 16644
190: ok 16645
190: ok 16646
190: ok 16647
190: ok 16648
190: ok 16649
190: ok 16650
190: ok 16651
190: ok 16652
190: ok 16653
190: ok 16654
190: ok 16655
190: ok 16656
190: ok 16657
190: ok 16658
190: ok 16659
190: ok 16660
190: ok 16661
190: ok 16662
190: ok 16663
190: ok 16664
190: ok 16665
190: ok 16666
190: ok 16667
190: ok 16668
190: ok 16669
190: ok 16670
190: ok 16671
190: ok 16672
190: ok 16673
190: ok 16674
190: ok 16675
190: ok 16676
190: ok 16677
190: ok 16678
190: ok 16679
190: ok 16680
190: ok 16681
190: ok 16682
190: ok 16683
190: ok 16684
190: ok 16685
190: ok 16686
190: ok 16687
190: ok 16688
190: ok 16689
190: ok 16690
190: ok 16691
190: ok 16692
190: ok 16693
190: ok 16694
190: ok 16695
190: ok 16696
190: ok 16697
190: ok 16698
190: ok 16699
190: ok 16700
190: ok 16701
190: ok 16702
190: ok 16703
190: ok 16704
190: ok 16705
190: ok 16706
190: ok 16707
190: ok 16708
190: ok 16709
190: ok 16710
190: ok 16711
190: ok 16712
190: ok 16713
190: ok 16714
190: ok 16715
190: ok 16716
190: ok 16717
190: ok 16718
190: ok 16719
190: ok 16720
190: ok 16721
190: ok 16722
190: ok 16723
190: ok 16724
190: ok 16725
190: ok 16726
190: ok 16727
190: ok 16728
190: ok 16729
190: ok 16730
190: ok 16731
190: ok 16732
190: ok 16733
190: ok 16734
190: ok 16735
190: ok 16736
190: ok 16737
190: ok 16738
190: ok 16739
190: ok 16740
190: ok 16741
190: ok 16742
190: ok 16743
190: ok 16744
190: ok 16745
190: ok 16746
190: ok 16747
190: ok 16748
190: ok 16749
190: ok 16750
190: ok 16751
190: ok 16752
190: ok 16753
190: ok 16754
190: ok 16755
190: ok 16756
190: ok 16757
190: ok 16758
190: ok 16759
190: ok 16760
190: ok 16761
190: ok 16762
190: ok 16763
190: ok 16764
190: ok 16765
190: ok 16766
190: ok 16767
190: ok 16768
190: ok 16769
190: ok 16770
190: ok 16771
190: ok 16772
190: ok 16773
190: ok 16774
190: ok 16775
190: ok 16776
190: ok 16777
190: ok 16778
190: ok 16779
190: ok 16780
190: ok 16781
190: ok 16782
190: ok 16783
190: ok 16784
190: ok 16785
190: ok 16786
190: ok 16787
190: ok 16788
190: ok 16789
190: ok 16790
190: ok 16791
190: ok 16792
190: ok 16793
190: ok 16794
190: ok 16795
190: ok 16796
190: ok 16797
190: ok 16798
190: ok 16799
190: ok 16800
190: ok 16801
190: ok 16802
190: ok 16803
190: ok 16804
190: ok 16805
190: ok 16806
190: ok 16807
190: ok 16808
190: ok 16809
190: ok 16810
190: ok 16811
190: ok 16812
190: ok 16813
190: ok 16814
190: ok 16815
190: ok 16816
190: ok 16817
190: ok 16818
190: ok 16819
190: ok 16820
190: ok 16821
190: ok 16822
190: ok 16823
190: ok 16824
190: ok 16825
190: ok 16826
190: ok 16827
190: ok 16828
190: ok 16829
190: ok 16830
190: ok 16831
190: ok 16832
190: ok 16833
190: ok 16834
190: ok 16835
190: ok 16836
190: ok 16837
190: ok 16838
190: ok 16839
190: ok 16840
190: ok 16841
190: ok 16842
190: ok 16843
190: ok 16844
190: ok 16845
190: ok 16846
190: ok 16847
190: ok 16848
190: ok 16849
190: ok 16850
190: ok 16851
190: ok 16852
190: ok 16853
190: ok 16854
190: ok 16855
190: ok 16856
190: ok 16857
190: ok 16858
190: ok 16859
190: ok 16860
190: ok 16861
190: ok 16862
190: ok 16863
190: ok 16864
190: ok 16865
190: ok 16866
190: ok 16867
190: ok 16868
190: ok 16869
190: ok 16870
190: ok 16871
190: ok 16872
190: ok 16873
190: ok 16874
190: ok 16875
190: ok 16876
190: ok 16877
190: ok 16878
190: ok 16879
190: ok 16880
190: ok 16881
190: ok 16882
190: ok 16883
190: ok 16884
190: ok 16885
190: ok 16886
190: ok 16887
190: ok 16888
190: ok 16889
190: ok 16890
190: ok 16891
190: ok 16892
190: ok 16893
190: ok 16894
190: ok 16895
190: ok 16896
190: ok 16897
190: ok 16898
190: ok 16899
190: ok 16900
190: ok 16901
190: ok 16902
190: ok 16903
190: ok 16904
190: ok 16905
190: ok 16906
190: ok 16907
190: ok 16908
190: ok 16909
190: ok 16910
190: ok 16911
190: ok 16912
190: ok 16913
190: ok 16914
190: ok 16915
190: ok 16916
190: ok 16917
190: ok 16918
190: ok 16919
190: ok 16920
190: ok 16921
190: ok 16922
190: ok 16923
190: ok 16924
190: ok 16925
190: ok 16926
190: ok 16927
190: ok 16928
190: ok 16929
190: ok 16930
190: ok 16931
190: ok 16932
190: ok 16933
190: ok 16934
190: ok 16935
190: ok 16936
190: ok 16937
190: ok 16938
190: ok 16939
190: ok 16940
190: ok 16941
190: ok 16942
190: ok 16943
190: ok 16944
190: ok 16945
190: ok 16946
190: ok 16947
190: ok 16948
190: ok 16949
190: ok 16950
190: ok 16951
190: ok 16952
190: ok 16953
190: ok 16954
190: ok 16955
190: ok 16956
190: ok 16957
190: ok 16958
190: ok 16959
190: ok 16960
190: ok 16961
190: ok 16962
190: ok 16963
190: ok 16964
190: ok 16965
190: ok 16966
190: ok 16967
190: ok 16968
190: ok 16969
190: ok 16970
190: ok 16971
190: ok 16972
190: ok 16973
190: ok 16974
190: ok 16975
190: ok 16976
190: ok 16977
190: ok 16978
190: ok 16979
190: ok 16980
190: ok 16981
190: ok 16982
190: ok 16983
190: ok 16984
190: ok 16985
190: ok 16986
190: ok 16987
190: ok 16988
190: ok 16989
190: ok 16990
190: ok 16991
190: ok 16992
190: ok 16993
190: ok 16994
190: ok 16995
190: ok 16996
190: ok 16997
190: ok 16998
190: ok 16999
190: ok 17000
190: ok 17001
190: ok 17002
190: ok 17003
190: ok 17004
190: ok 17005
190: ok 17006
190: ok 17007
190: ok 17008
190: ok 17009
190: ok 17010
190: ok 17011
190: ok 17012
190: ok 17013
190: ok 17014
190: ok 17015
190: ok 17016
190: ok 17017
190: ok 17018
190: ok 17019
190: ok 17020
190: ok 17021
190: ok 17022
190: ok 17023
190: ok 17024
190: ok 17025
190: ok 17026
190: ok 17027
190: ok 17028
190: ok 17029
190: ok 17030
190: ok 17031
190: ok 17032
190: ok 17033
190: ok 17034
190: ok 17035
190: ok 17036
190: ok 17037
190: ok 17038
190: ok 17039
190: ok 17040
190: ok 17041
190: ok 17042
190: ok 17043
190: ok 17044
190: ok 17045
190: ok 17046
190: ok 17047
190: ok 17048
190: ok 17049
190: ok 17050
190: ok 17051
190: ok 17052
190: ok 17053
190: ok 17054
190: ok 17055
190: ok 17056
190: ok 17057
190: ok 17058
190: ok 17059
190: ok 17060
190: ok 17061
190: ok 17062
190: ok 17063
190: ok 17064
190: ok 17065
190: ok 17066
190: ok 17067
190: ok 17068
190: ok 17069
190: ok 17070
190: ok 17071
190: ok 17072
190: ok 17073
190: ok 17074
190: ok 17075
190: ok 17076
190: ok 17077
190: ok 17078
190: ok 17079
190: ok 17080
190: ok 17081
190: ok 17082
190: ok 17083
190: ok 17084
190: ok 17085
190: ok 17086
190: ok 17087
190: ok 17088
190: ok 17089
190: ok 17090
190: ok 17091
190: ok 17092
190: ok 17093
190: ok 17094
190: ok 17095
190: ok 17096
190: ok 17097
190: ok 17098
190: ok 17099
190: ok 17100
190: ok 17101
190: ok 17102
190: ok 17103
190: ok 17104
190: ok 17105
190: ok 17106
190: ok 17107
190: ok 17108
190: ok 17109
190: ok 17110
190: ok 17111
190: ok 17112
190: ok 17113
190: ok 17114
190: ok 17115
190: ok 17116
190: ok 17117
190: ok 17118
190: ok 17119
190: ok 17120
190: ok 17121
190: ok 17122
190: ok 17123
190: ok 17124
190: ok 17125
190: ok 17126
190: ok 17127
190: ok 17128
190: ok 17129
190: ok 17130
190: ok 17131
190: ok 17132
190: ok 17133
190: ok 17134
190: ok 17135
190: ok 17136
190: ok 17137
190: ok 17138
190: ok 17139
190: ok 17140
190: ok 17141
190: ok 17142
190: ok 17143
190: ok 17144
190: ok 17145
190: ok 17146
190: ok 17147
190: ok 17148
190: ok 17149
190: ok 17150
190: ok 17151
190: ok 17152
190: ok 17153
190: ok 17154
190: ok 17155
190: ok 17156
190: ok 17157
190: ok 17158
190: ok 17159
190: ok 17160
190: ok 17161
190: ok 17162
190: ok 17163
190: ok 17164
190: ok 17165
190: ok 17166
190: ok 17167
190: ok 17168
190: ok 17169
190: ok 17170
190: ok 17171
190: ok 17172
190: ok 17173
190: ok 17174
190: ok 17175
190: ok 17176
190: ok 17177
190: ok 17178
190: ok 17179
190: ok 17180
190: ok 17181
190: ok 17182
190: ok 17183
190: ok 17184
190: ok 17185
190: ok 17186
190: ok 17187
190: ok 17188
190: ok 17189
190: ok 17190
190: ok 17191
190: ok 17192
190: ok 17193
190: ok 17194
190: ok 17195
190: ok 17196
190: ok 17197
190: ok 17198
190: ok 17199
190: ok 17200
190: ok 17201
190: ok 17202
190: ok 17203
190: ok 17204
190: ok 17205
190: ok 17206
190: ok 17207
190: ok 17208
190: ok 17209
190: ok 17210
190: ok 17211
190: ok 17212
190: ok 17213
190: ok 17214
190: ok 17215
190: ok 17216
190: ok 17217
190: ok 17218
190: ok 17219
190: ok 17220
190: ok 17221
190: ok 17222
190: ok 17223
190: ok 17224
190: ok 17225
190: ok 17226
190: ok 17227
190: ok 17228
190: ok 17229
190: ok 17230
190: ok 17231
190: ok 17232
190: ok 17233
190: ok 17234
190: ok 17235
190: ok 17236
190: ok 17237
190: ok 17238
190: ok 17239
190: ok 17240
190: ok 17241
190: ok 17242
190: ok 17243
190: ok 17244
190: ok 17245
190: ok 17246
190: ok 17247
190: ok 17248
190: ok 17249
190: ok 17250
190: ok 17251
190: ok 17252
190: ok 17253
190: ok 17254
190: ok 17255
190: ok 17256
190: ok 17257
190: ok 17258
190: ok 17259
190: ok 17260
190: ok 17261
190: ok 17262
190: ok 17263
190: ok 17264
190: ok 17265
190: ok 17266
190: ok 17267
190: ok 17268
190: ok 17269
190: ok 17270
190: ok 17271
190: ok 17272
190: ok 17273
190: ok 17274
190: ok 17275
190: ok 17276
190: ok 17277
190: ok 17278
190: ok 17279
190: ok 17280
190: ok 17281
190: ok 17282
190: ok 17283
190: ok 17284
190: ok 17285
190: ok 17286
190: ok 17287
190: ok 17288
190: ok 17289
190: ok 17290
190: ok 17291
190: ok 17292
190: ok 17293
190: ok 17294
190: ok 17295
190: ok 17296
190: ok 17297
190: ok 17298
190: ok 17299
190: ok 17300
190: ok 17301
190: ok 17302
190: ok 17303
190: ok 17304
190: ok 17305
190: ok 17306
190: ok 17307
190: ok 17308
190: ok 17309
190: ok 17310
190: ok 17311
190: ok 17312
190: ok 17313
190: ok 17314
190: ok 17315
190: ok 17316
190: ok 17317
190: ok 17318
190: ok 17319
190: ok 17320
190: ok 17321
190: ok 17322
190: ok 17323
190: ok 17324
190: ok 17325
190: ok 17326
190: ok 17327
190: ok 17328
190: ok 17329
190: ok 17330
190: ok 17331
190: ok 17332
190: ok 17333
190: ok 17334
190: ok 17335
190: ok 17336
190: ok 17337
190: ok 17338
190: ok 17339
190: ok 17340
190: ok 17341
190: ok 17342
190: ok 17343
190: ok 17344
190: ok 17345
190: ok 17346
190: ok 17347
190: ok 17348
190: ok 17349
190: ok 17350
190: ok 17351
190: ok 17352
190: ok 17353
190: ok 17354
190: ok 17355
190: ok 17356
190: ok 17357
190: ok 17358
190: ok 17359
190: ok 17360
190: ok 17361
190: ok 17362
190: ok 17363
190: ok 17364
190: ok 17365
190: ok 17366
190: ok 17367
190: ok 17368
190: ok 17369
190: ok 17370
190: ok 17371
190: ok 17372
190: ok 17373
190: ok 17374
190: ok 17375
190: ok 17376
190: ok 17377
190: ok 17378
190: ok 17379
190: ok 17380
190: ok 17381
190: ok 17382
190: ok 17383
190: ok 17384
190: ok 17385
190: ok 17386
190: ok 17387
190: ok 17388
190: ok 17389
190: ok 17390
190: ok 17391
190: ok 17392
190: ok 17393
190: ok 17394
190: ok 17395
190: ok 17396
190: ok 17397
190: ok 17398
190: ok 17399
190: ok 17400
190: ok 17401
190: ok 17402
190: ok 17403
190: ok 17404
190: ok 17405
190: ok 17406
190: ok 17407
190: ok 17408
190: ok 17409
190: ok 17410
190: ok 17411
190: ok 17412
190: ok 17413
190: ok 17414
190: ok 17415
190: ok 17416
190: ok 17417
190: ok 17418
190: ok 17419
190: ok 17420
190: ok 17421
190: ok 17422
190: ok 17423
190: ok 17424
190: ok 17425
190: ok 17426
190: ok 17427
190: ok 17428
190: ok 17429
190: ok 17430
190: ok 17431
190: ok 17432
190: ok 17433
190: ok 17434
190: ok 17435
190: ok 17436
190: ok 17437
190: ok 17438
190: ok 17439
190: ok 17440
190: ok 17441
190: ok 17442
190: ok 17443
190: ok 17444
190: ok 17445
190: ok 17446
190: ok 17447
190: ok 17448
190: ok 17449
190: ok 17450
190: ok 17451
190: ok 17452
190: ok 17453
190: ok 17454
190: ok 17455
190: ok 17456
190: ok 17457
190: ok 17458
190: ok 17459
190: ok 17460
190: ok 17461
190: ok 17462
190: ok 17463
190: ok 17464
190: ok 17465
190: ok 17466
190: ok 17467
190: ok 17468
190: ok 17469
190: ok 17470
190: ok 17471
190: ok 17472
190: ok 17473
190: ok 17474
190: ok 17475
190: ok 17476
190: ok 17477
190: ok 17478
190: ok 17479
190: ok 17480
190: ok 17481
190: ok 17482
190: ok 17483
190: ok 17484
190: ok 17485
190: ok 17486
190: ok 17487
190: ok 17488
190: ok 17489
190: ok 17490
190: ok 17491
190: ok 17492
190: ok 17493
190: ok 17494
190: ok 17495
190: ok 17496
190: ok 17497
190: ok 17498
190: ok 17499
190: ok 17500
190: ok 17501
190: ok 17502
190: ok 17503
190: ok 17504
190: ok 17505
190: ok 17506
190: ok 17507
190: ok 17508
190: ok 17509
190: ok 17510
190: ok 17511
190: ok 17512
190: ok 17513
190: ok 17514
190: ok 17515
190: ok 17516
190: ok 17517
190: ok 17518
190: ok 17519
190: ok 17520
190: ok 17521
190: ok 17522
190: ok 17523
190: ok 17524
190: ok 17525
190: ok 17526
190: ok 17527
190: ok 17528
190: ok 17529
190: ok 17530
190: ok 17531
190: ok 17532
190: ok 17533
190: ok 17534
190: ok 17535
190: ok 17536
190: ok 17537
190: ok 17538
190: ok 17539
190: ok 17540
190: ok 17541
190: ok 17542
190: ok 17543
190: ok 17544
190: ok 17545
190: ok 17546
190: ok 17547
190: ok 17548
190: ok 17549
190: ok 17550
190: ok 17551
190: ok 17552
190: ok 17553
190: ok 17554
190: ok 17555
190: ok 17556
190: ok 17557
190: ok 17558
190: ok 17559
190: ok 17560
190: ok 17561
190: ok 17562
190: ok 17563
190: ok 17564
190: ok 17565
190: ok 17566
190: ok 17567
190: ok 17568
190: ok 17569
190: ok 17570
190: ok 17571
190: ok 17572
190: ok 17573
190: ok 17574
190: ok 17575
190: ok 17576
190: ok 17577
190: ok 17578
190: ok 17579
190: ok 17580
190: ok 17581
190: ok 17582
190: ok 17583
190: ok 17584
190: ok 17585
190: ok 17586
190: ok 17587
190: ok 17588
190: ok 17589
190: ok 17590
190: ok 17591
190: ok 17592
190: ok 17593
190: ok 17594
190: ok 17595
190: ok 17596
190: ok 17597
190: ok 17598
190: ok 17599
190: ok 17600
190: ok 17601
190: ok 17602
190: ok 17603
190: ok 17604
190: ok 17605
190: ok 17606
190: ok 17607
190: ok 17608
190: ok 17609
190: ok 17610
190: ok 17611
190: ok 17612
190: ok 17613
190: ok 17614
190: ok 17615
190: ok 17616
190: ok 17617
190: ok 17618
190: ok 17619
190: ok 17620
190: ok 17621
190: ok 17622
190: ok 17623
190: ok 17624
190: ok 17625
190: ok 17626
190: ok 17627
190: ok 17628
190: ok 17629
190: ok 17630
190: ok 17631
190: ok 17632
190: ok 17633
190: ok 17634
190: ok 17635
190: ok 17636
190: ok 17637
190: ok 17638
190: ok 17639
190: ok 17640
190: ok 17641
190: ok 17642
190: ok 17643
190: ok 17644
190: ok 17645
190: ok 17646
190: ok 17647
190: ok 17648
190: ok 17649
190: ok 17650
190: ok 17651
190: ok 17652
190: ok 17653
190: ok 17654
190: ok 17655
190: ok 17656
190: ok 17657
190: ok 17658
190: ok 17659
190: ok 17660
190: ok 17661
190: ok 17662
190: ok 17663
190: ok 17664
190: ok 17665
190: ok 17666
190: ok 17667
190: ok 17668
190: ok 17669
190: ok 17670
190: ok 17671
190: ok 17672
190: ok 17673
190: ok 17674
190: ok 17675
190: ok 17676
190: ok 17677
190: ok 17678
190: ok 17679
190: ok 17680
190: ok 17681
190: ok 17682
190: ok 17683
190: ok 17684
190: ok 17685
190: ok 17686
190: ok 17687
190: ok 17688
190: ok 17689
190: ok 17690
190: ok 17691
190: ok 17692
190: ok 17693
190: ok 17694
190: ok 17695
190: ok 17696
190: ok 17697
190: ok 17698
190: ok 17699
190: ok 17700
190: ok 17701
190: ok 17702
190: ok 17703
190: ok 17704
190: ok 17705
190: ok 17706
190: ok 17707
190: ok 17708
190: ok 17709
190: ok 17710
190: ok 17711
190: ok 17712
190: ok 17713
190: ok 17714
190: ok 17715
190: ok 17716
190: ok 17717
190: ok 17718
190: ok 17719
190: ok 17720
190: ok 17721
190: ok 17722
190: ok 17723
190: ok 17724
190: ok 17725
190: ok 17726
190: ok 17727
190: ok 17728
190: ok 17729
190: ok 17730
190: ok 17731
190: ok 17732
190: ok 17733
190: ok 17734
190: ok 17735
190: ok 17736
190: ok 17737
190: ok 17738
190: ok 17739
190: ok 17740
190: ok 17741
190: ok 17742
190: ok 17743
190: ok 17744
190: ok 17745
190: ok 17746
190: ok 17747
190: ok 17748
190: ok 17749
190: ok 17750
190: ok 17751
190: ok 17752
190: ok 17753
190: ok 17754
190: ok 17755
190: ok 17756
190: ok 17757
190: ok 17758
190: ok 17759
190: ok 17760
190: ok 17761
190: ok 17762
190: ok 17763
190: ok 17764
190: ok 17765
190: ok 17766
190: ok 17767
190: ok 17768
190: ok 17769
190: ok 17770
190: ok 17771
190: ok 17772
190: ok 17773
190: ok 17774
190: ok 17775
190: ok 17776
190: ok 17777
190: ok 17778
190: ok 17779
190: ok 17780
190: ok 17781
190: ok 17782
190: ok 17783
190: ok 17784
190: ok 17785
190: ok 17786
190: ok 17787
190: ok 17788
190: ok 17789
190: ok 17790
190: ok 17791
190: ok 17792
190: ok 17793
190: ok 17794
190: ok 17795
190: ok 17796
190: ok 17797
190: ok 17798
190: ok 17799
190: ok 17800
190: ok 17801
190: ok 17802
190: ok 17803
190: ok 17804
190: ok 17805
190: ok 17806
190: ok 17807
190: ok 17808
190: ok 17809
190: ok 17810
190: ok 17811
190: ok 17812
190: ok 17813
190: ok 17814
190: ok 17815
190: ok 17816
190: ok 17817
190: ok 17818
190: ok 17819
190: ok 17820
190: ok 17821
190: ok 17822
190: ok 17823
190: ok 17824
190: ok 17825
190: ok 17826
190: ok 17827
190: ok 17828
190: ok 17829
190: ok 17830
190: ok 17831
190: ok 17832
190: ok 17833
190: ok 17834
190: ok 17835
190: ok 17836
190: ok 17837
190: ok 17838
190: ok 17839
190: ok 17840
190: ok 17841
190: ok 17842
190: ok 17843
190: ok 17844
190: ok 17845
190: ok 17846
190: ok 17847
190: ok 17848
190: ok 17849
190: ok 17850
190: ok 17851
190: ok 17852
190: ok 17853
190: ok 17854
190: ok 17855
190: ok 17856
190: ok 17857
190: ok 17858
190: ok 17859
190: ok 17860
190: ok 17861
190: ok 17862
190: ok 17863
190: ok 17864
190: ok 17865
190: ok 17866
190: ok 17867
190: ok 17868
190: ok 17869
190: ok 17870
190: ok 17871
190: ok 17872
190: ok 17873
190: ok 17874
190: ok 17875
190: ok 17876
190: ok 17877
190: ok 17878
190: ok 17879
190: ok 17880
190: ok 17881
190: ok 17882
190: ok 17883
190: ok 17884
190: ok 17885
190: ok 17886
190: ok 17887
190: ok 17888
190: ok 17889
190: ok 17890
190: ok 17891
190: ok 17892
190: ok 17893
190: ok 17894
190: ok 17895
190: ok 17896
190: ok 17897
190: ok 17898
190: ok 17899
190: ok 17900
190: ok 17901
190: ok 17902
190: ok 17903
190: ok 17904
190: ok 17905
190: ok 17906
190: ok 17907
190: ok 17908
190: ok 17909
190: ok 17910
190: ok 17911
190: ok 17912
190: ok 17913
190: ok 17914
190: ok 17915
190: ok 17916
190: ok 17917
190: ok 17918
190: ok 17919
190: ok 17920
190: ok 17921
190: ok 17922
190: ok 17923
190: ok 17924
190: ok 17925
190: ok 17926
190: ok 17927
190: ok 17928
190: ok 17929
190: ok 17930
190: ok 17931
190: ok 17932
190: ok 17933
190: ok 17934
190: ok 17935
190: ok 17936
190: ok 17937
190: ok 17938
190: ok 17939
190: ok 17940
190: ok 17941
190: ok 17942
190: ok 17943
190: ok 17944
190: ok 17945
190: ok 17946
190: ok 17947
190: ok 17948
190: ok 17949
190: ok 17950
190: ok 17951
190: ok 17952
190: ok 17953
190: ok 17954
190: ok 17955
190: ok 17956
190: ok 17957
190: ok 17958
190: ok 17959
190: ok 17960
190: ok 17961
190: ok 17962
190: ok 17963
190: ok 17964
190: ok 17965
190: ok 17966
190: ok 17967
190: ok 17968
190: ok 17969
190: ok 17970
190: ok 17971
190: ok 17972
190: ok 17973
190: ok 17974
190: ok 17975
190: ok 17976
190: ok 17977
190: ok 17978
190: ok 17979
190: ok 17980
190: ok 17981
190: ok 17982
190: ok 17983
190: ok 17984
190: ok 17985
190: ok 17986
190: ok 17987
190: ok 17988
190: ok 17989
190: ok 17990
190: ok 17991
190: ok 17992
190: ok 17993
190: ok 17994
190: ok 17995
190: ok 17996
190: ok 17997
190: ok 17998
190: ok 17999
190: ok 18000
190: ok 18001
190: ok 18002
190: ok 18003
190: ok 18004
190: ok 18005
190: ok 18006
190: ok 18007
190: ok 18008
190: ok 18009
190: ok 18010
190: ok 18011
190: ok 18012
190: ok 18013
190: ok 18014
190: ok 18015
190: ok 18016
190: ok 18017
190: ok 18018
190: ok 18019
190: ok 18020
190: ok 18021
190: ok 18022
190: ok 18023
190: ok 18024
190: ok 18025
190: ok 18026
190: ok 18027
190: ok 18028
190: ok 18029
190: ok 18030
190: ok 18031
190: ok 18032
190: ok 18033
190: ok 18034
190: ok 18035
190: ok 18036
190: ok 18037
190: ok 18038
190: ok 18039
190: ok 18040
190: ok 18041
190: ok 18042
190: ok 18043
190: ok 18044
190: ok 18045
190: ok 18046
190: ok 18047
190: ok 18048
190: ok 18049
190: ok 18050
190: ok 18051
190: ok 18052
190: ok 18053
190: ok 18054
190: ok 18055
190: ok 18056
190: ok 18057
190: ok 18058
190: ok 18059
190: ok 18060
190: ok 18061
190: ok 18062
190: ok 18063
190: ok 18064
190: ok 18065
190: ok 18066
190: ok 18067
190: ok 18068
190: ok 18069
190: ok 18070
190: ok 18071
190: ok 18072
190: ok 18073
190: ok 18074
190: ok 18075
190: ok 18076
190: ok 18077
190: ok 18078
190: ok 18079
190: ok 18080
190: ok 18081
190: ok 18082
190: ok 18083
190: ok 18084
190: ok 18085
190: ok 18086
190: ok 18087
190: ok 18088
190: ok 18089
190: ok 18090
190: ok 18091
190: ok 18092
190: ok 18093
190: ok 18094
190: ok 18095
190: ok 18096
190: ok 18097
190: ok 18098
190: ok 18099
190: ok 18100
190: ok 18101
190: ok 18102
190: ok 18103
190: ok 18104
190: ok 18105
190: ok 18106
190: ok 18107
190: ok 18108
190: ok 18109
190: ok 18110
190: ok 18111
190: ok 18112
190: ok 18113
190: ok 18114
190: ok 18115
190: ok 18116
190: ok 18117
190: ok 18118
190: ok 18119
190: ok 18120
190: ok 18121
190: ok 18122
190: ok 18123
190: ok 18124
190: ok 18125
190: ok 18126
190: ok 18127
190: ok 18128
190: ok 18129
190: ok 18130
190: ok 18131
190: ok 18132
190: ok 18133
190: ok 18134
190: ok 18135
190: ok 18136
190: ok 18137
190: ok 18138
190: ok 18139
190: ok 18140
190: ok 18141
190: ok 18142
190: ok 18143
190: ok 18144
190: ok 18145
190: ok 18146
190: ok 18147
190: ok 18148
190: ok 18149
190: ok 18150
190: ok 18151
190: ok 18152
190: ok 18153
190: ok 18154
190: ok 18155
190: ok 18156
190: ok 18157
190: ok 18158
190: ok 18159
190: ok 18160
190: ok 18161
190: ok 18162
190: ok 18163
190: ok 18164
190: ok 18165
190: ok 18166
190: ok 18167
190: ok 18168
190: ok 18169
190: ok 18170
190: ok 18171
190: ok 18172
190: ok 18173
190: ok 18174
190: ok 18175
190: ok 18176
190: ok 18177
190: ok 18178
190: ok 18179
190: ok 18180
190: ok 18181
190: ok 18182
190: ok 18183
190: ok 18184
190: ok 18185
190: ok 18186
190: ok 18187
190: ok 18188
190: ok 18189
190: ok 18190
190: ok 18191
190: ok 18192
190: ok 18193
190: ok 18194
190: ok 18195
190: ok 18196
190: ok 18197
190: ok 18198
190: ok 18199
190: ok 18200
190: ok 18201
190: ok 18202
190: ok 18203
190: ok 18204
190: ok 18205
190: ok 18206
190: ok 18207
190: ok 18208
190: ok 18209
190: ok 18210
190: ok 18211
190: ok 18212
190: ok 18213
190: ok 18214
190: ok 18215
190: ok 18216
190: ok 18217
190: ok 18218
190: ok 18219
190: ok 18220
190: ok 18221
190: ok 18222
190: ok 18223
190: ok 18224
190: ok 18225
190: ok 18226
190: ok 18227
190: ok 18228
190: ok 18229
190: ok 18230
190: ok 18231
190: ok 18232
190: ok 18233
190: ok 18234
190: ok 18235
190: ok 18236
190: ok 18237
190: ok 18238
190: ok 18239
190: ok 18240
190: ok 18241
190: ok 18242
190: ok 18243
190: ok 18244
190: ok 18245
190: ok 18246
190: ok 18247
190: ok 18248
190: ok 18249
190: ok 18250
190: ok 18251
190: ok 18252
190: ok 18253
190: ok 18254
190: ok 18255
190: ok 18256
190: ok 18257
190: ok 18258
190: ok 18259
190: ok 18260
190: ok 18261
190: ok 18262
190: ok 18263
190: ok 18264
190: ok 18265
190: ok 18266
190: ok 18267
190: ok 18268
190: ok 18269
190: ok 18270
190: ok 18271
190: ok 18272
190: ok 18273
190: ok 18274
190: ok 18275
190: ok 18276
190: ok 18277
190: ok 18278
190: ok 18279
190: ok 18280
190: ok 18281
190: ok 18282
190: ok 18283
190: ok 18284
190: ok 18285
190: ok 18286
190: ok 18287
190: ok 18288
190: ok 18289
190: ok 18290
190: ok 18291
190: ok 18292
190: ok 18293
190: ok 18294
190: ok 18295
190: ok 18296
190: ok 18297
190: ok 18298
190: ok 18299
190: ok 18300
190: ok 18301
190: ok 18302
190: ok 18303
190: ok 18304
190: ok 18305
190: ok 18306
190: ok 18307
190: ok 18308
190: ok 18309
190: ok 18310
190: ok 18311
190: ok 18312
190: ok 18313
190: ok 18314
190: ok 18315
190: ok 18316
190: ok 18317
190: ok 18318
190: ok 18319
190: ok 18320
190: ok 18321
190: ok 18322
190: ok 18323
190: ok 18324
190: ok 18325
190: ok 18326
190: ok 18327
190: ok 18328
190: ok 18329
190: ok 18330
190: ok 18331
190: ok 18332
190: ok 18333
190: ok 18334
190: ok 18335
190: ok 18336
190: ok 18337
190: ok 18338
190: ok 18339
190: ok 18340
190: ok 18341
190: ok 18342
190: ok 18343
190: ok 18344
190: ok 18345
190: ok 18346
190: ok 18347
190: ok 18348
190: ok 18349
190: ok 18350
190: ok 18351
190: ok 18352
190: ok 18353
190: ok 18354
190: ok 18355
190: ok 18356
190: ok 18357
190: ok 18358
190: ok 18359
190: ok 18360
190: ok 18361
190: ok 18362
190: ok 18363
190: ok 18364
190: ok 18365
190: ok 18366
190: ok 18367
190: ok 18368
190: ok 18369
190: ok 18370
190: ok 18371
190: ok 18372
190: ok 18373
190: ok 18374
190: ok 18375
190: ok 18376
190: ok 18377
190: ok 18378
190: ok 18379
190: ok 18380
190: ok 18381
190: ok 18382
190: ok 18383
190: ok 18384
190: ok 18385
190: ok 18386
190: ok 18387
190: ok 18388
190: ok 18389
190: ok 18390
190: ok 18391
190: ok 18392
190: ok 18393
190: ok 18394
190: ok 18395
190: ok 18396
190: ok 18397
190: ok 18398
190: ok 18399
190: ok 18400
190: ok 18401
190: ok 18402
190: ok 18403
190: ok 18404
190: ok 18405
190: ok 18406
190: ok 18407
190: ok 18408
190: ok 18409
190: ok 18410
190: ok 18411
190: ok 18412
190: ok 18413
190: ok 18414
190: ok 18415
190: ok 18416
190: ok 18417
190: ok 18418
190: ok 18419
190: ok 18420
190: ok 18421
190: ok 18422
190: ok 18423
190: ok 18424
190: ok 18425
190: ok 18426
190: ok 18427
190: ok 18428
190: ok 18429
190: ok 18430
190: ok 18431
190: ok 18432
190: ok 18433
190: ok 18434
190: ok 18435
190: ok 18436
190: ok 18437
190: ok 18438
190: ok 18439
190: ok 18440
190: ok 18441
190: ok 18442
190: ok 18443
190: ok 18444
190: ok 18445
190: ok 18446
190: ok 18447
190: ok 18448
190: ok 18449
190: ok 18450
190: ok 18451
190: ok 18452
190: ok 18453
190: ok 18454
190: ok 18455
190: ok 18456
190: ok 18457
190: ok 18458
190: ok 18459
190: ok 18460
190: ok 18461
190: ok 18462
190: ok 18463
190: ok 18464
190: ok 18465
190: ok 18466
190: ok 18467
190: ok 18468
190: ok 18469
190: ok 18470
190: ok 18471
190: ok 18472
190: ok 18473
190: ok 18474
190: ok 18475
190: ok 18476
190: ok 18477
190: ok 18478
190: ok 18479
190: ok 18480
190: ok 18481
190: ok 18482
190: ok 18483
190: ok 18484
190: ok 18485
190: ok 18486
190: ok 18487
190: ok 18488
190: ok 18489
190: ok 18490
190: ok 18491
190: ok 18492
190: ok 18493
190: ok 18494
190: ok 18495
190: ok 18496
190: ok 18497
190: ok 18498
190: ok 18499
190: ok 18500
190: ok 18501
190: ok 18502
190: ok 18503
190: ok 18504
190: ok 18505
190: ok 18506
190: ok 18507
190: ok 18508
190: ok 18509
190: ok 18510
190: ok 18511
190: ok 18512
190: ok 18513
190: ok 18514
190: ok 18515
190: ok 18516
190: ok 18517
190: ok 18518
190: ok 18519
190: ok 18520
190: ok 18521
190: ok 18522
190: ok 18523
190: ok 18524
190: ok 18525
190: ok 18526
190: ok 18527
190: ok 18528
190: ok 18529
190: ok 18530
190: ok 18531
190: ok 18532
190: ok 18533
190: ok 18534
190: ok 18535
190: ok 18536
190: ok 18537
190: ok 18538
190: ok 18539
190: ok 18540
190: ok 18541
190: ok 18542
190: ok 18543
190: ok 18544
190: ok 18545
190: ok 18546
190: ok 18547
190: ok 18548
190: ok 18549
190: ok 18550
190: ok 18551
190: ok 18552
190: ok 18553
190: ok 18554
190: ok 18555
190: ok 18556
190: ok 18557
190: ok 18558
190: ok 18559
190: ok 18560
190: ok 18561
190: ok 18562
190: ok 18563
190: ok 18564
190: ok 18565
190: ok 18566
190: ok 18567
190: ok 18568
190: ok 18569
190: ok 18570
190: ok 18571
190: ok 18572
190: ok 18573
190: ok 18574
190: ok 18575
190: ok 18576
190: ok 18577
190: ok 18578
190: ok 18579
190: ok 18580
190: ok 18581
190: ok 18582
190: ok 18583
190: ok 18584
190: ok 18585
190: ok 18586
190: ok 18587
190: ok 18588
190: ok 18589
190: ok 18590
190: ok 18591
190: ok 18592
190: ok 18593
190: ok 18594
190: ok 18595
190: ok 18596
190: ok 18597
190: ok 18598
190: ok 18599
190: ok 18600
190: ok 18601
190: ok 18602
190: ok 18603
190: ok 18604
190: ok 18605
190: ok 18606
190: ok 18607
190: ok 18608
190: ok 18609
190: ok 18610
190: ok 18611
190: ok 18612
190: ok 18613
190: ok 18614
190: ok 18615
190: ok 18616
190: ok 18617
190: ok 18618
190: ok 18619
190: ok 18620
190: ok 18621
190: ok 18622
190: ok 18623
190: ok 18624
190: ok 18625
190: ok 18626
190: ok 18627
190: ok 18628
190: ok 18629
190: ok 18630
190: ok 18631
190: ok 18632
190: ok 18633
190: ok 18634
190: ok 18635
190: ok 18636
190: ok 18637
190: ok 18638
190: ok 18639
190: ok 18640
190: ok 18641
190: ok 18642
190: ok 18643
190: ok 18644
190: ok 18645
190: ok 18646
190: ok 18647
190: ok 18648
190: ok 18649
190: ok 18650
190: ok 18651
190: ok 18652
190: ok 18653
190: ok 18654
190: ok 18655
190: ok 18656
190: ok 18657
190: ok 18658
190: ok 18659
190: ok 18660
190: ok 18661
190: ok 18662
190: ok 18663
190: ok 18664
190: ok 18665
190: ok 18666
190: ok 18667
190: ok 18668
190: ok 18669
190: ok 18670
190: ok 18671
190: ok 18672
190: ok 18673
190: ok 18674
190: ok 18675
190: ok 18676
190: ok 18677
190: ok 18678
190: ok 18679
190: ok 18680
190: ok 18681
190: ok 18682
190: ok 18683
190: ok 18684
190: ok 18685
190: ok 18686
190: ok 18687
190: ok 18688
190: ok 18689
190: ok 18690
190: ok 18691
190: ok 18692
190: ok 18693
190: ok 18694
190: ok 18695
190: ok 18696
190: ok 18697
190: ok 18698
190: ok 18699
190: ok 18700
190: ok 18701
190: ok 18702
190: ok 18703
190: ok 18704
190: ok 18705
190: ok 18706
190: ok 18707
190: ok 18708
190: ok 18709
190: ok 18710
190: ok 18711
190: ok 18712
190: ok 18713
190: ok 18714
190: ok 18715
190: ok 18716
190: ok 18717
190: ok 18718
190: ok 18719
190: ok 18720
190: ok 18721
190: ok 18722
190: ok 18723
190: ok 18724
190: ok 18725
190: ok 18726
190: ok 18727
190: ok 18728
190: ok 18729
190: ok 18730
190: ok 18731
190: ok 18732
190: ok 18733
190: ok 18734
190: ok 18735
190: ok 18736
190: ok 18737
190: ok 18738
190: ok 18739
190: ok 18740
190: ok 18741
190: ok 18742
190: ok 18743
190: ok 18744
190: ok 18745
190: ok 18746
190: ok 18747
190: ok 18748
190: ok 18749
190: ok 18750
190: ok 18751
190: ok 18752
190: ok 18753
190: ok 18754
190: ok 18755
190: ok 18756
190: ok 18757
190: ok 18758
190: ok 18759
190: ok 18760
190: ok 18761
190: ok 18762
190: ok 18763
190: ok 18764
190: ok 18765
190: ok 18766
190: ok 18767
190: ok 18768
190: ok 18769
190: ok 18770
190: ok 18771
190: ok 18772
190: ok 18773
190: ok 18774
190: ok 18775
190: ok 18776
190: ok 18777
190: ok 18778
190: ok 18779
190: ok 18780
190: ok 18781
190: ok 18782
190: ok 18783
190: ok 18784
190: ok 18785
190: ok 18786
190: ok 18787
190: ok 18788
190: ok 18789
190: ok 18790
190: ok 18791
190: ok 18792
190: ok 18793
190: ok 18794
190: ok 18795
190: ok 18796
190: ok 18797
190: ok 18798
190: ok 18799
190: ok 18800
190: ok 18801
190: ok 18802
190: ok 18803
190: ok 18804
190: ok 18805
190: ok 18806
190: ok 18807
190: ok 18808
190: ok 18809
190: ok 18810
190: ok 18811
190: ok 18812
190: ok 18813
190: ok 18814
190: ok 18815
190: ok 18816
190: ok 18817
190: ok 18818
190: ok 18819
190: ok 18820
190: ok 18821
190: ok 18822
190: ok 18823
190: ok 18824
190: ok 18825
190: ok 18826
190: ok 18827
190: ok 18828
190: ok 18829
190: ok 18830
190: ok 18831
190: ok 18832
190: ok 18833
190: ok 18834
190: ok 18835
190: ok 18836
190: ok 18837
190: ok 18838
190: ok 18839
190: ok 18840
190: ok 18841
190: ok 18842
190: ok 18843
190: ok 18844
190: ok 18845
190: ok 18846
190: ok 18847
190: ok 18848
190: ok 18849
190: ok 18850
190: ok 18851
190: ok 18852
190: ok 18853
190: ok 18854
190: ok 18855
190: ok 18856
190: ok 18857
190: ok 18858
190: ok 18859
190: ok 18860
190: ok 18861
190: ok 18862
190: ok 18863
190: ok 18864
190: ok 18865
190: ok 18866
190: ok 18867
190: ok 18868
190: ok 18869
190: ok 18870
190: ok 18871
190: ok 18872
190: ok 18873
190: ok 18874
190: ok 18875
190: ok 18876
190: ok 18877
190: ok 18878
190: ok 18879
190: ok 18880
190: ok 18881
190: ok 18882
190: ok 18883
190: ok 18884
190: ok 18885
190: ok 18886
190: ok 18887
190: ok 18888
190: ok 18889
190: ok 18890
190: ok 18891
190: ok 18892
190: ok 18893
190: ok 18894
190: ok 18895
190: ok 18896
190: ok 18897
190: ok 18898
190: ok 18899
190: ok 18900
190: ok 18901
190: ok 18902
190: ok 18903
190: ok 18904
190: ok 18905
190: ok 18906
190: ok 18907
190: ok 18908
190: ok 18909
190: ok 18910
190: ok 18911
190: ok 18912
190: ok 18913
190: ok 18914
190: ok 18915
190: ok 18916
190: ok 18917
190: ok 18918
190: ok 18919
190: ok 18920
190: ok 18921
190: ok 18922
190: ok 18923
190: ok 18924
190: ok 18925
190: ok 18926
190: ok 18927
190: ok 18928
190: ok 18929
190: ok 18930
190: ok 18931
190: ok 18932
190: ok 18933
190: ok 18934
190: ok 18935
190: ok 18936
190: ok 18937
190: ok 18938
190: ok 18939
190: ok 18940
190: ok 18941
190: ok 18942
190: ok 18943
190: ok 18944
190: ok 18945
190: ok 18946
190: ok 18947
190: ok 18948
190: ok 18949
190: ok 18950
190: ok 18951
190: ok 18952
190: ok 18953
190: ok 18954
190: ok 18955
190: ok 18956
190: ok 18957
190: ok 18958
190: ok 18959
190: ok 18960
190: ok 18961
190: ok 18962
190: ok 18963
190: ok 18964
190: ok 18965
190: ok 18966
190: ok 18967
190: ok 18968
190: ok 18969
190: ok 18970
190: ok 18971
190: ok 18972
190: ok 18973
190: ok 18974
190: ok 18975
190: ok 18976
190: ok 18977
190: ok 18978
190: ok 18979
190: ok 18980
190: ok 18981
190: ok 18982
190: ok 18983
190: ok 18984
190: ok 18985
190: ok 18986
190: ok 18987
190: ok 18988
190: ok 18989
190: ok 18990
190: ok 18991
190: ok 18992
190: ok 18993
190: ok 18994
190: ok 18995
190: ok 18996
190: ok 18997
190: ok 18998
190: ok 18999
190: ok 19000
190: ok 19001
190: ok 19002
190: ok 19003
190: ok 19004
190: ok 19005
190: ok 19006
190: ok 19007
190: ok 19008
190: ok 19009
190: ok 19010
190: ok 19011
190: ok 19012
190: ok 19013
190: ok 19014
190: ok 19015
190: ok 19016
190: ok 19017
190: ok 19018
190: ok 19019
190: ok 19020
190: ok 19021
190: ok 19022
190: ok 19023
190: ok 19024
190: ok 19025
190: ok 19026
190: ok 19027
190: ok 19028
190: ok 19029
190: ok 19030
190: ok 19031
190: ok 19032
190: ok 19033
190: ok 19034
190: ok 19035
190: ok 19036
190: ok 19037
190: ok 19038
190: ok 19039
190: ok 19040
190: ok 19041
190: ok 19042
190: ok 19043
190: ok 19044
190: ok 19045
190: ok 19046
190: ok 19047
190: ok 19048
190: ok 19049
190: ok 19050
190: ok 19051
190: ok 19052
190: ok 19053
190: ok 19054
190: ok 19055
190: ok 19056
190: ok 19057
190: ok 19058
190: ok 19059
190: ok 19060
190: ok 19061
190: ok 19062
190: ok 19063
190: ok 19064
190: ok 19065
190: ok 19066
190: ok 19067
190: ok 19068
190: ok 19069
190: ok 19070
190: ok 19071
190: ok 19072
190: ok 19073
190: ok 19074
190: ok 19075
190: ok 19076
190: ok 19077
190: ok 19078
190: ok 19079
190: ok 19080
190: ok 19081
190: ok 19082
190: ok 19083
190: ok 19084
190: ok 19085
190: ok 19086
190: ok 19087
190: ok 19088
190: ok 19089
190: ok 19090
190: ok 19091
190: ok 19092
190: ok 19093
190: ok 19094
190: ok 19095
190: ok 19096
179:     electro (  0.061,  -1.307,   0.124)  (  0.061,  -1.307,   0.124)  ( 0.00,  0.00,  0.00)
179: 29       ( 15.903,   4.286,   5.958)  ( 15.892,   4.291,   6.006)  ( 0.07,  0.11,  0.81)
179:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
179:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
179:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
179:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.166,  -0.288,  -0.392)  ( -1.166,  -0.288,  -0.392)  ( 0.00,  0.00,  0.00)
179: 30       ( -2.074,  31.175,  -2.945)  ( -2.064,  31.180,  -2.953)  ( 0.46,  0.02,  0.26)
179:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
179:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
179:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
179:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
179:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
179:     electro (  0.391,  -0.425,   0.188)  (  0.391,  -0.425,   0.188)  ( 0.00,  0.00,  0.00)
179: 31       ( -1.650,  -0.829,   5.649)  ( -1.630,  -0.826,   5.618)  ( 1.18,  0.22,  0.55)
179:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
179:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
179:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
179:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
179:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.297,  -0.187,  -0.080)  ( -0.297,  -0.187,  -0.080)  ( 0.00,  0.00,  0.00)
179: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
179:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
179:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
179:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
179:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
179:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
179:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
179:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
179:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
179:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
179:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
179:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
179:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
179:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
179:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
179:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
179:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
179:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
179:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
179:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
179:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
179:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
179:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
179:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
179:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
179:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
179:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
179:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
179:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
179:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
179:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
179:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
179:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
179:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
179:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (  7.917,   7.582,   1.982)  (  7.919,   7.587,   1.972)  ( 0.03,  0.06,  0.48)
179:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
179:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.634,   0.010,   0.105)  ( -0.634,   0.010,   0.105)  ( 0.00,  0.00,  0.00)
179: 46       ( -0.949,   8.842,   2.170)  ( -0.948,   8.848,   2.157)  ( 0.07,  0.07,  0.57)
179:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
179:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
179:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  0.054,  -0.019,  -0.027)  (  0.054,  -0.019,  -0.027)  ( 0.00,  0.00,  0.00)
179: 47       (  3.127,  -7.668,  -2.910)  (  3.129,  -7.675,  -2.873)  ( 0.04,  0.09,  1.26)
179:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
179:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
179:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
179:     electro (  0.137,   0.646,  -0.030)  (  0.137,   0.646,  -0.030)  ( 0.00,  0.00,  0.00)
179: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
179:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
179:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
179:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
179:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
179:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
179:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
179:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
179:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
179:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
179:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
179:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
179:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       ( 13.213,  -8.643,   4.216)  ( 13.227,  -8.641,   4.183)  ( 0.11,  0.02,  0.79)
179:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
179:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
179:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
179:     electro (  0.672,   1.344,  -0.779)  (  0.672,   1.344,  -0.779)  ( 0.00,  0.00,  0.00)
179: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
179:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
179:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
179:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
179:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
179:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
179:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
179:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
179:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
179:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
179:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
179:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
179:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
179:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
179:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
179:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
179:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
179:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
179:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
179:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
179:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
179:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 36 # gradients 
191: # math: repeating each test 1000 times
191: # Testing MMFF94 Force Field...
191: # math: entering testArithmeticOperators
191: ok 1
191: ok 2
191: ok 3
191: ok 4
191: ok 5
191: ok 6
191: ok 7
191: ok 8
191: ok 9
191: ok 10
191: ok 11
191: ok 12
191: ok 13
191: ok 14
191: ok 15
191: ok 16
191: ok 17
191: ok 18
191: ok 19
191: ok 20
191: ok 21
191: ok 22
191: ok 23
191: ok 24
191: ok 25
191: ok 26
191: ok 27
191: ok 28
191: ok 29
191: ok 30
191: ok 31
191: ok 32
191: ok 33
191: ok 34
191: ok 35
191: ok 36
191: ok 37
191: ok 38
191: ok 39
191: ok 40
191: ok 41
191: ok 42
191: ok 43
191: ok 44
191: ok 45
191: ok 46
191: ok 47
191: ok 48
191: ok 49
191: ok 50
191: ok 51
191: ok 52
191: ok 53
191: ok 54
191: ok 55
191: ok 56
191: ok 57
191: ok 58
191: ok 59
191: ok 60
191: ok 61
191: ok 62
191: ok 63
191: ok 64
191: ok 65
191: ok 66
191: ok 67
191: ok 68
191: ok 69
191: ok 70
191: ok 71
191: ok 72
191: ok 73
191: ok 74
191: ok 75
191: ok 76
191: ok 77
191: ok 78
191: ok 79
191: ok 80
191: ok 81
191: ok 82
191: ok 83
191: ok 84
191: ok 85
191: ok 86
191: ok 87
191: ok 88
191: ok 89
191: ok 90
191: ok 91
191: ok 92
191: ok 93
191: ok 94
191: ok 95
191: ok 96
191: ok 97
191: ok 98
191: ok 99
191: ok 100
191: ok 101
191: ok 102
191: ok 103
191: ok 104
191: ok 105
191: ok 106
191: ok 107
191: ok 108
191: ok 109
191: ok 110
191: ok 111
191: ok 112
191: ok 113
191: ok 114
191: ok 115
191: ok 116
191: ok 117
191: ok 118
191: ok 119
191: ok 120
191: ok 121
191: ok 122
191: ok 123
191: ok 124
191: ok 125
191: ok 126
191: ok 127
191: ok 128
191: ok 129
191: ok 130
191: ok 131
191: ok 132
191: ok 133
191: ok 134
191: ok 135
191: ok 136
191: ok 137
191: ok 138
191: ok 139
191: ok 140
191: ok 141
191: ok 142
191: ok 143
191: ok 144
191: ok 145
191: ok 146
191: ok 147
191: ok 148
191: ok 149
191: ok 150
191: ok 151
191: ok 152
191: ok 153
191: ok 154
191: ok 155
191: ok 156
191: ok 157
191: ok 158
191: ok 159
191: ok 160
191: ok 161
191: ok 162
191: ok 163
191: ok 164
191: ok 165
191: ok 166
191: ok 167
191: ok 168
191: ok 169
191: ok 170
191: ok 171
191: ok 172
191: ok 173
191: ok 174
191: ok 175
191: ok 176
191: ok 177
191: ok 178
191: ok 179
191: ok 180
191: ok 181
191: ok 182
191: ok 183
191: ok 184
191: ok 185
191: ok 186
191: ok 187
191: ok 188
191: ok 189
191: ok 190
191: ok 191
191: ok 192
191: ok 193
191: ok 194
191: ok 195
191: ok 196
191: ok 197
191: ok 198
191: ok 199
191: ok 200
191: ok 201
191: ok 202
191: ok 203
191: ok 204
191: ok 205
191: ok 206
191: ok 207
191: ok 208
191: ok 209
191: ok 210
191: ok 211
191: ok 212
191: ok 213
191: ok 214
191: ok 215
191: ok 216
191: ok 217
191: ok 218
191: ok 219
191: ok 220
191: ok 221
191: ok 222
191: ok 223
191: ok 224
191: ok 225
191: ok 226
191: ok 227
191: ok 228
191: ok 229
191: ok 230
191: ok 231
191: ok 232
191: ok 233
191: ok 234
191: ok 235
191: ok 236
191: ok 237
191: ok 238
191: ok 239
191: ok 240
191: ok 241
191: ok 242
191: ok 243
191: ok 244
191: ok 245
191: ok 246
191: ok 247
191: ok 248
191: ok 249
191: ok 250
191: ok 251
191: ok 252
191: ok 253
191: ok 254
191: ok 255
191: ok 256
191: ok 257
191: ok 258
191: ok 259
191: ok 260
191: ok 261
191: ok 262
191: ok 263
191: ok 264
191: ok 265
191: ok 266
191: ok 267
191: ok 268
191: ok 269
191: ok 270
191: ok 271
191: ok 272
191: ok 273
191: ok 274
191: ok 275
191: ok 276
191: ok 277
191: ok 278
191: ok 279
191: ok 280
191: ok 281
191: ok 282
191: ok 283
191: ok 284
191: ok 285
191: ok 286
191: ok 287
191: ok 288
191: ok 289
191: ok 290
191: ok 291
191: ok 292
191: ok 293
191: ok 294
191: ok 295
191: ok 296
191: ok 297
191: ok 298
191: ok 299
191: ok 300
191: ok 301
191: ok 302
191: ok 303
191: ok 304
191: ok 305
191: ok 306
191: ok 307
191: ok 308
191: ok 309
191: ok 310
191: ok 311
191: ok 312
191: ok 313
191: ok 314
191: ok 315
191: ok 316
191: ok 317
191: ok 318
191: ok 319
191: ok 320
191: ok 321
191: ok 322
191: ok 323
191: ok 324
191: ok 325
191: ok 326
191: ok 327
191: ok 328
191: ok 329
191: ok 330
191: ok 331
191: ok 332
191: ok 333
191: ok 334
191: ok 335
191: ok 336
191: ok 337
191: ok 338
191: ok 339
191: ok 340
191: ok 341
191: ok 342
191: ok 343
191: ok 344
191: ok 345
191: ok 346
191: ok 347
191: ok 348
191: ok 349
191: ok 350
191: ok 351
191: ok 352
191: ok 353
191: ok 354
191: ok 355
191: ok 356
191: ok 357
191: ok 358
191: ok 359
191: ok 360
191: ok 361
191: ok 362
191: ok 363
191: ok 364
191: ok 365
191: ok 366
191: ok 367
191: ok 368
191: ok 369
191: ok 370
191: ok 371
191: ok 372
191: ok 373
191: ok 374
191: ok 375
191: ok 376
191: ok 377
191: ok 378
191: ok 379
191: ok 380
191: ok 381
191: ok 382
191: ok 383
191: ok 384
191: ok 385
191: ok 386
191: ok 387
191: ok 388
191: ok 389
191: ok 390
191: ok 391
191: ok 392
191: ok 393
191: ok 394
191: ok 395
191: ok 396
191: ok 397
191: ok 398
191: ok 399
191: ok 400
191: ok 401
191: ok 402
191: ok 403
191: ok 404
191: ok 405
191: ok 406
191: ok 407
191: ok 408
191: ok 409
191: ok 410
191: ok 411
191: ok 412
191: ok 413
191: ok 414
191: ok 415
191: ok 416
191: ok 417
191: ok 418
191: ok 419
191: ok 420
191: ok 421
191: ok 422
191: ok 423
191: ok 424
191: ok 425
191: ok 426
191: ok 427
191: ok 428
191: ok 429
191: ok 430
191: ok 431
191: ok 432
191: ok 433
191: ok 434
191: ok 435
191: ok 436
191: ok 437
191: ok 438
191: ok 439
191: ok 440
191: ok 441
191: ok 442
191: ok 443
191: ok 444
191: ok 445
191: ok 446
191: ok 447
191: ok 448
191: ok 449
191: ok 450
191: ok 451
191: ok 452
191: ok 453
191: ok 454
191: ok 455
191: ok 456
191: ok 457
191: ok 458
191: ok 459
191: ok 460
191: ok 461
191: ok 462
191: ok 463
191: ok 464
191: ok 465
191: ok 466
191: ok 467
191: ok 468
191: ok 469
191: ok 470
191: ok 471
191: ok 472
191: ok 473
191: ok 474
191: ok 475
191: ok 476
191: ok 477
191: ok 478
191: ok 479
191: ok 480
191: ok 481
191: ok 482
191: ok 483
191: ok 484
191: ok 485
191: ok 486
191: ok 487
191: ok 488
191: ok 489
191: ok 490
191: ok 491
191: ok 492
191: ok 493
191: ok 494
191: ok 495
191: ok 496
191: ok 497
191: ok 498
191: ok 499
191: ok 500
191: ok 501
191: ok 502
191: ok 503
191: ok 504
191: ok 505
191: ok 506
191: ok 507
191: ok 508
191: ok 509
191: ok 510
191: ok 511
191: ok 512
191: ok 513
191: ok 514
191: ok 515
191: ok 516
191: ok 517
191: ok 518
191: ok 519
191: ok 520
191: ok 521
191: ok 522
191: ok 523
191: ok 524
191: ok 525
191: ok 526
191: ok 527
191: ok 528
191: ok 529
191: ok 530
191: ok 531
191: ok 532
191: ok 533
191: ok 534
191: ok 535
191: ok 536
191: ok 537
191: ok 538
191: ok 539
191: ok 540
191: ok 541
191: ok 542
191: ok 543
191: ok 544
191: ok 545
191: ok 546
191: ok 547
191: ok 548
191: ok 549
191: ok 550
191: ok 551
191: ok 552
191: ok 553
191: ok 554
191: ok 555
191: ok 556
191: ok 557
191: ok 558
191: ok 559
191: ok 560
191: ok 561
191: ok 562
191: ok 563
191: ok 564
191: ok 565
191: ok 566
191: ok 567
191: ok 568
191: ok 569
191: ok 570
191: ok 571
191: ok 572
191: ok 573
191: ok 574
191: ok 575
191: ok 576
191: ok 577
191: ok 578
191: ok 579
191: ok 580
191: ok 581
191: ok 582
191: ok 583
191: ok 584
191: ok 585
191: ok 586
191: ok 587
191: ok 588
191: ok 589
191: ok 590
191: ok 591
191: ok 592
191: ok 593
191: ok 594
191: ok 595
191: ok 596
191: ok 597
191: ok 598
191: ok 599
191: ok 600
191: ok 601
191: ok 602
191: ok 603
191: ok 604
191: ok 605
191: ok 606
191: ok 607
191: ok 608
191: ok 609
191: ok 610
191: ok 611
191: ok 612
191: ok 613
191: ok 614
191: ok 615
191: ok 616
191: ok 617
191: ok 618
191: ok 619
191: ok 620
191: ok 621
191: ok 622
191: ok 623
191: ok 624
191: ok 625
191: ok 626
191: ok 627
191: ok 628
191: ok 629
191: ok 630
191: ok 631
191: ok 632
191: ok 633
191: ok 634
191: ok 635
191: ok 636
191: ok 637
191: ok 638
191: ok 639
191: ok 640
191: ok 641
191: ok 642
191: ok 643
191: ok 644
191: ok 645
191: ok 646
191: ok 647
191: ok 648
191: ok 649
191: ok 650
191: ok 651
191: ok 652
191: ok 653
191: ok 654
191: ok 655
191: ok 656
191: ok 657
191: ok 658
191: ok 659
191: ok 660
191: ok 661
191: ok 662
191: ok 663
191: ok 664
191: ok 665
191: ok 666
191: ok 667
191: ok 668
191: ok 669
191: ok 670
191: ok 671
191: ok 672
191: ok 673
191: ok 674
191: ok 675
191: ok 676
191: ok 677
191: ok 678
191: ok 679
191: ok 680
191: ok 681
191: ok 682
191: ok 683
191: ok 684
191: ok 685
191: ok 686
191: ok 687
191: ok 688
191: ok 689
191: ok 690
191: ok 691
191: ok 692
191: ok 693
191: ok 694
191: ok 695
191: ok 696
191: ok 697
191: ok 698
191: ok 699
191: ok 700
191: ok 701
191: ok 702
191: ok 703
191: ok 704
191: ok 705
191: ok 706
191: ok 707
191: ok 708
191: ok 709
191: ok 710
191: ok 711
191: ok 712
191: ok 713
191: ok 714
191: ok 715
191: ok 716
191: ok 717
191: ok 718
191: ok 719
191: ok 720
191: ok 721
191: ok 722
191: ok 723
191: ok 724
191: ok 725
191: ok 726
191: ok 727
191: ok 728
191: ok 729
191: ok 730
191: ok 731
191: ok 732
191: ok 733
191: ok 734
191: ok 735
191: ok 736
191: ok 737
191: ok 738
191: ok 739
191: ok 740
191: ok 741
191: ok 742
191: ok 743
191: ok 744
191: ok 745
191: ok 746
191: ok 747
191: ok 748
191: ok 749
191: ok 750
191: ok 751
191: ok 752
191: ok 753
191: ok 754
191: ok 755
191: ok 756
191: ok 757
191: ok 758
191: ok 759
191: ok 760
191: ok 761
191: ok 762
191: ok 763
191: ok 764
191: ok 765
191: ok 766
191: ok 767
191: ok 768
191: ok 769
191: ok 770
191: ok 771
191: ok 772
191: ok 773
191: ok 774
191: ok 775
191: ok 776
191: ok 777
191: ok 778
191: ok 779
191: ok 780
191: ok 781
191: ok 782
191: ok 783
191: ok 784
191: ok 785
191: ok 786
191: ok 787
191: ok 788
191: ok 789
191: ok 790
191: ok 791
191: ok 792
191: ok 793
191: ok 794
191: ok 795
191: ok 796
191: ok 797
191: ok 798
191: ok 799
191: ok 800
191: ok 801
191: ok 802
191: ok 803
191: ok 804
191: ok 805
191: ok 806
191: ok 807
191: ok 808
191: ok 809
191: ok 810
191: ok 811
191: ok 812
191: ok 813
191: ok 814
191: ok 815
191: ok 816
191: ok 817
191: ok 818
191: ok 819
191: ok 820
191: ok 821
191: ok 822
191: ok 823
191: ok 824
191: ok 825
191: ok 826
191: ok 827
191: ok 828
191: ok 829
191: ok 830
191: ok 831
191: ok 832
191: ok 833
191: ok 834
191: ok 835
191: ok 836
191: ok 837
191: ok 838
191: ok 839
191: ok 840
191: ok 841
191: ok 842
191: ok 843
191: ok 844
191: ok 845
191: ok 846
191: ok 847
191: ok 848
191: ok 849
191: ok 850
191: ok 851
191: ok 852
191: ok 853
191: ok 854
191: ok 855
191: ok 856
191: ok 857
191: ok 858
191: ok 859
191: ok 860
191: ok 861
191: ok 862
191: ok 863
191: ok 864
191: ok 865
191: ok 866
191: ok 867
191: ok 868
191: ok 869
191: ok 870
191: ok 871
191: ok 872
191: ok 873
191: ok 874
191: ok 875
191: ok 876
191: ok 877
191: ok 878
191: ok 879
191: ok 880
191: ok 881
191: ok 882
191: ok 883
191: ok 884
191: ok 885
191: ok 886
191: ok 887
191: ok 888
191: ok 889
191: ok 890
191: ok 891
191: ok 892
191: ok 893
191: ok 894
191: ok 895
191: ok 896
191: ok 897
191: ok 898
191: ok 899
191: ok 900
191: ok 901
191: ok 902
191: ok 903
191: ok 904
191: ok 905
191: ok 906
191: ok 907
191: ok 908
191: ok 909
191: ok 910
191: ok 911
191: ok 912
191: ok 913
191: ok 914
191: ok 915
191: ok 916
191: ok 917
191: ok 918
191: ok 919
191: ok 920
191: ok 921
191: ok 922
191: ok 923
191: ok 924
191: ok 925
191: ok 926
191: ok 927
191: ok 928
191: ok 929
191: ok 930
191: ok 931
191: ok 932
191: ok 933
191: ok 934
191: ok 935
191: ok 936
191: ok 937
191: ok 938
191: ok 939
191: ok 940
191: ok 941
191: ok 942
191: ok 943
191: ok 944
191: ok 945
191: ok 946
191: ok 947
191: ok 948
191: ok 949
191: ok 950
191: ok 951
191: ok 952
191: ok 953
191: ok 954
191: ok 955
191: ok 956
191: ok 957
191: ok 958
191: ok 959
191: ok 960
191: ok 961
191: ok 962
191: ok 963
191: ok 964
191: ok 965
191: ok 966
191: ok 967
191: ok 968
191: ok 969
191: ok 970
191: ok 971
191: ok 972
191: ok 973
191: ok 974
191: ok 975
191: ok 976
191: ok 977
191: ok 978
191: ok 979
191: ok 980
191: ok 981
191: ok 982
191: ok 983
191: ok 984
191: ok 985
191: ok 986
191: ok 987
191: ok 988
191: ok 989
191: ok 990
191: ok 991
191: ok 992
191: ok 993
191: ok 994
191: ok 995
191: ok 996
191: ok 997
191: ok 998
191: ok 999
191: ok 1000
191: ok 1001
191: ok 1002
191: ok 1003
191: ok 1004
191: ok 1005
191: ok 1006
191: ok 1007
191: ok 1008
191: ok 1009
191: ok 1010
191: ok 1011
191: ok 1012
191: ok 1013
191: ok 1014
191: ok 1015
191: ok 1016
191: ok 1017
191: ok 1018
191: ok 1019
191: ok 1020
191: ok 1021
191: ok 1022
191: ok 1023
191: ok 1024
191: ok 1025
191: ok 1026
191: ok 1027
191: ok 1028
191: ok 1029
191: ok 1030
191: ok 1031
191: ok 1032
191: ok 1033
191: ok 1034
191: ok 1035
191: ok 1036
191: ok 1037
191: ok 1038
191: ok 1039
191: ok 1040
191: ok 1041
191: ok 1042
191: ok 1043
191: ok 1044
191: ok 1045
191: ok 1046
191: ok 1047
191: ok 1048
191: ok 1049
191: ok 1050
191: ok 1051
191: ok 1052
191: ok 1053
191: ok 1054
191: ok 1055
191: ok 1056
191: ok 1057
191: ok 1058
191: ok 1059
191: ok 1060
191: ok 1061
191: ok 1062
191: ok 1063
191: ok 1064
191: ok 1065
191: ok 1066
191: ok 1067
191: ok 1068
191: ok 1069
191: ok 1070
191: ok 1071
191: ok 1072
191: ok 1073
191: ok 1074
191: ok 1075
191: ok 1076
191: ok 1077
191: ok 1078
191: ok 1079
191: ok 1080
191: ok 1081
191: ok 1082
191: ok 1083
191: ok 1084
191: ok 1085
191: ok 1086
191: ok 1087
191: ok 1088
191: ok 1089
191: ok 1090
191: ok 1091
191: ok 1092
191: ok 1093
191: ok 1094
191: ok 1095
191: ok 1096
191: ok 1097
191: ok 1098
191: ok 1099
191: ok 1100
191: ok 1101
191: ok 1102
191: ok 1103
191: ok 1104
191: ok 1105
191: ok 1106
191: ok 1107
191: ok 1108
191: ok 1109
191: ok 1110
191: ok 1111
191: ok 1112
191: ok 1113
191: ok 1114
191: ok 1115
191: ok 1116
191: ok 1117
191: ok 1118
191: ok 1119
191: ok 1120
191: ok 1121
191: ok 1122
191: ok 1123
191: ok 1124
191: ok 1125
191: ok 1126
191: ok 1127
191: ok 1128
191: ok 1129
191: ok 1130
191: ok 1131
191: ok 1132
191: ok 1133
191: ok 1134
191: ok 1135
191: ok 1136
191: ok 1137
191: ok 1138
191: ok 1139
191: ok 1140
191: ok 1141
191: ok 1142
191: ok 1143
191: ok 1144
191: ok 1145
191: ok 1146
191: ok 1147
191: ok 1148
191: ok 1149
191: ok 1150
191: ok 1151
191: ok 1152
191: ok 1153
191: ok 1154
191: ok 1155
191: ok 1156
191: ok 1157
191: ok 1158
191: ok 1159
191: ok 1160
191: ok 1161
191: ok 1162
191: ok 1163
191: ok 1164
191: ok 1165
191: ok 1166
191: ok 1167
191: ok 1168
191: ok 1169
191: ok 1170
191: ok 1171
191: ok 1172
191: ok 1173
191: ok 1174
191: ok 1175
191: ok 1176
191: ok 1177
191: ok 1178
191: ok 1179
191: ok 1180
191: ok 1181
191: ok 1182
191: ok 1183
191: ok 1184
191: ok 1185
191: ok 1186
191: ok 1187
191: ok 1188
191: ok 1189
191: ok 1190
191: ok 1191
191: ok 1192
191: ok 1193
191: ok 1194
191: ok 1195
191: ok 1196
191: ok 1197
191: ok 1198
191: ok 1199
191: ok 1200
191: ok 1201
191: ok 1202
191: ok 1203
191: ok 1204
191: ok 1205
191: ok 1206
191: ok 1207
191: ok 1208
191: ok 1209
191: ok 1210
191: ok 1211
191: ok 1212
191: ok 1213
191: ok 1214
191: ok 1215
191: ok 1216
191: ok 1217
191: ok 1218
191: ok 1219
191: ok 1220
191: ok 1221
191: ok 1222
191: ok 1223
191: ok 1224
191: ok 1225
191: ok 1226
191: ok 1227
191: ok 1228
191: ok 1229
191: ok 1230
191: ok 1231
191: ok 1232
191: ok 1233
191: ok 1234
191: ok 1235
191: ok 1236
191: ok 1237
191: ok 1238
191: ok 1239
191: ok 1240
191: ok 1241
191: ok 1242
191: ok 1243
191: ok 1244
191: ok 1245
191: ok 1246
191: ok 1247
191: ok 1248
191: ok 1249
191: ok 1250
191: ok 1251
191: ok 1252
191: ok 1253
191: ok 1254
191: ok 1255
191: ok 1256
191: ok 1257
191: ok 1258
191: ok 1259
191: ok 1260
191: ok 1261
191: ok 1262
191: ok 1263
191: ok 1264
191: ok 1265
191: ok 1266
191: ok 1267
191: ok 1268
191: ok 1269
191: ok 1270
191: ok 1271
191: ok 1272
191: ok 1273
191: ok 1274
191: ok 1275
191: ok 1276
191: ok 1277
191: ok 1278
191: ok 1279
191: ok 1280
191: ok 1281
191: ok 1282
191: ok 1283
191: ok 1284
191: ok 1285
191: ok 1286
191: ok 1287
191: ok 1288
191: ok 1289
191: ok 1290
191: ok 1291
191: ok 1292
191: ok 1293
191: ok 1294
191: ok 1295
191: ok 1296
191: ok 1297
191: ok 1298
191: ok 1299
191: ok 1300
191: ok 1301
191: ok 1302
191: ok 1303
191: ok 1304
191: ok 1305
191: ok 1306
191: ok 1307
191: ok 1308
191: ok 1309
191: ok 1310
191: ok 1311
191: ok 1312
191: ok 1313
191: ok 1314
191: ok 1315
191: ok 1316
191: ok 1317
191: ok 1318
191: ok 1319
191: ok 1320
191: ok 1321
191: ok 1322
191: ok 1323
191: ok 1324
191: ok 1325
191: ok 1326
191: ok 1327
191: ok 1328
191: ok 1329
191: ok 1330
191: ok 1331
191: ok 1332
191: ok 1333
191: ok 1334
191: ok 1335
191: ok 1336
191: ok 1337
191: ok 1338
191: ok 1339
191: ok 1340
191: ok 1341
191: ok 1342
191: ok 1343
191: ok 1344
191: ok 1345
191: ok 1346
191: ok 1347
191: ok 1348
191: ok 1349
191: ok 1350
191: ok 1351
191: ok 1352
191: ok 1353
191: ok 1354
191: ok 1355
191: ok 1356
191: ok 1357
191: ok 1358
191: ok 1359
191: ok 1360
191: ok 1361
191: ok 1362
191: ok 1363
191: ok 1364
191: ok 1365
191: ok 1366
191: ok 1367
191: ok 1368
191: ok 1369
191: ok 1370
191: ok 1371
191: ok 1372
191: ok 1373
191: ok 1374
191: ok 1375
191: ok 1376
191: ok 1377
191: ok 1378
191: ok 1379
191: ok 1380
191: ok 1381
191: ok 1382
191: ok 1383
191: ok 1384
191: ok 1385
191: ok 1386
191: ok 1387
191: ok 1388
191: ok 1389
191: ok 1390
191: ok 1391
191: ok 1392
191: ok 1393
191: ok 1394
191: ok 1395
191: ok 1396
191: ok 1397
191: ok 1398
191: ok 1399
191: ok 1400
191: ok 1401
191: ok 1402
191: ok 1403
191: ok 1404
191: ok 1405
191: ok 1406
191: ok 1407
191: ok 1408
191: ok 1409
191: ok 1410
191: ok 1411
191: ok 1412
191: ok 1413
191: ok 1414
191: ok 1415
191: ok 1416
191: ok 1417
191: ok 1418
191: ok 1419
191: ok 1420
191: ok 1421
191: ok 1422
191: ok 1423
191: ok 1424
191: ok 1425
191: ok 1426
191: ok 1427
191: ok 1428
191: ok 1429
191: ok 1430
191: ok 1431
191: ok 1432
191: ok 1433
191: ok 1434
191: ok 1435
191: ok 1436
191: ok 1437
191: ok 1438
191: ok 1439
191: ok 1440
191: ok 1441
191: ok 1442
191: ok 1443
191: ok 1444
191: ok 1445
191: ok 1446
191: ok 1447
191: ok 1448
191: ok 1449
191: ok 1450
191: ok 1451
191: ok 1452
191: ok 1453
191: ok 1454
191: ok 1455
191: ok 1456
191: ok 1457
191: ok 1458
191: ok 1459
191: ok 1460
191: ok 1461
191: ok 1462
191: ok 1463
191: ok 1464
191: ok 1465
191: ok 1466
191: ok 1467
191: ok 1468
191: ok 1469
191: ok 1470
191: ok 1471
191: ok 1472
191: ok 1473
191: ok 1474
191: ok 1475
191: ok 1476
191: ok 1477
191: ok 1478
191: ok 1479
191: ok 1480
191: ok 1481
191: ok 1482
191: ok 1483
191: ok 1484
191: ok 1485
191: ok 1486
191: ok 1487
191: ok 1488
191: ok 1489
191: ok 1490
191: ok 1491
191: ok 1492
191: ok 1493
191: ok 1494
191: ok 1495
191: ok 1496
191: ok 1497
191: ok 1498
191: ok 1499
191: ok 1500
191: ok 1501
191: ok 1502
191: ok 1503
191: ok 1504
191: ok 1505
191: ok 1506
191: ok 1507
191: ok 1508
191: ok 1509
191: ok 1510
191: ok 1511
191: ok 1512
191: ok 1513
191: ok 1514
191: ok 1515
191: ok 1516
191: ok 1517
191: ok 1518
191: ok 1519
191: ok 1520
191: ok 1521
191: ok 1522
191: ok 1523
191: ok 1524
191: ok 1525
191: ok 1526
191: ok 1527
191: ok 1528
191: ok 1529
191: ok 1530
191: ok 1531
191: ok 1532
191: ok 1533
191: ok 1534
191: ok 1535
191: ok 1536
191: ok 1537
191: ok 1538
191: ok 1539
191: ok 1540
191: ok 1541
191: ok 1542
191: ok 1543
191: ok 1544
191: ok 1545
191: ok 1546
191: ok 1547
191: ok 1548
191: ok 1549
191: ok 1550
191: ok 1551
191: ok 1552
191: ok 1553
191: ok 1554
191: ok 1555
191: ok 1556
191: ok 1557
191: ok 1558
191: ok 1559
191: ok 1560
191: ok 1561
191: ok 1562
191: ok 1563
191: ok 1564
191: ok 1565
191: ok 1566
191: ok 1567
191: ok 1568
191: ok 1569
191: ok 1570
191: ok 1571
191: ok 1572
191: ok 1573
191: ok 1574
191: ok 1575
191: ok 1576
191: ok 1577
191: ok 1578
191: ok 1579
191: ok 1580
191: ok 1581
191: ok 1582
191: ok 1583
191: ok 1584
191: ok 1585
191: ok 1586
191: ok 1587
191: ok 1588
191: ok 1589
191: ok 1590
191: ok 1591
191: ok 1592
191: ok 1593
191: ok 1594
191: ok 1595
191: ok 1596
191: ok 1597
191: ok 1598
191: ok 1599
191: ok 1600
191: ok 1601
191: ok 1602
191: ok 1603
191: ok 1604
191: ok 1605
191: ok 1606
191: ok 1607
191: ok 1608
191: ok 1609
191: ok 1610
191: ok 1611
191: ok 1612
191: ok 1613
191: ok 1614
191: ok 1615
191: ok 1616
191: ok 1617
191: ok 1618
191: ok 1619
191: ok 1620
191: ok 1621
191: ok 1622
191: ok 1623
191: ok 1624
191: ok 1625
191: ok 1626
191: ok 1627
191: ok 1628
191: ok 1629
191: ok 1630
191: ok 1631
191: ok 1632
191: ok 1633
191: ok 1634
191: ok 1635
191: ok 1636
191: ok 1637
191: ok 1638
191: ok 1639
191: ok 1640
191: ok 1641
191: ok 1642
191: ok 1643
191: ok 1644
191: ok 1645
191: ok 1646
191: ok 1647
191: ok 1648
191: ok 1649
191: ok 1650
191: ok 1651
191: ok 1652
191: ok 1653
191: ok 1654
191: ok 1655
191: ok 1656
191: ok 1657
191: ok 1658
191: ok 1659
191: ok 1660
191: ok 1661
191: ok 1662
191: ok 1663
191: ok 1664
191: ok 1665
191: ok 1666
191: ok 1667
191: ok 1668
191: ok 1669
191: ok 1670
191: ok 1671
191: ok 1672
191: ok 1673
191: ok 1674
191: ok 1675
191: ok 1676
191: ok 1677
191: ok 1678
191: ok 1679
191: ok 1680
191: ok 1681
191: ok 1682
191: ok 1683
191: ok 1684
191: ok 1685
191: ok 1686
191: ok 1687
191: ok 1688
191: ok 1689
191: ok 1690
191: ok 1691
191: ok 1692
191: ok 1693
191: ok 1694
191: ok 1695
191: ok 1696
191: ok 1697
191: ok 1698
191: ok 1699
191: ok 1700
191: ok 1701
191: ok 1702
191: ok 1703
191: ok 1704
191: ok 1705
191: ok 1706
191: ok 1707
191: ok 1708
191: ok 1709
191: ok 1710
191: ok 1711
191: ok 1712
191: ok 1713
191: ok 1714
191: ok 1715
191: ok 1716
191: ok 1717
191: ok 1718
191: ok 1719
191: ok 1720
191: ok 1721
191: ok 1722
191: ok 1723
191: ok 1724
191: ok 1725
191: ok 1726
191: ok 1727
191: ok 1728
191: ok 1729
191: ok 1730
191: ok 1731
191: ok 1732
191: ok 1733
191: ok 1734
191: ok 1735
191: ok 1736
191: ok 1737
191: ok 1738
191: ok 1739
191: ok 1740
191: ok 1741
191: ok 1742
191: ok 1743
191: ok 1744
191: ok 1745
191: ok 1746
191: ok 1747
191: ok 1748
191: ok 1749
191: ok 1750
191: ok 1751
191: ok 1752
191: ok 1753
191: ok 1754
191: ok 1755
191: ok 1756
191: ok 1757
191: ok 1758
191: ok 1759
191: ok 1760
191: ok 1761
191: ok 1762
191: ok 1763
191: ok 1764
191: ok 1765
191: ok 1766
191: ok 1767
191: ok 1768
191: ok 1769
191: ok 1770
191: ok 1771
191: ok 1772
191: ok 1773
191: ok 1774
191: ok 1775
191: ok 1776
191: ok 1777
191: ok 1778
191: ok 1779
191: ok 1780
191: ok 1781
191: ok 1782
191: ok 1783
191: ok 1784
191: ok 1785
191: ok 1786
191: ok 1787
191: ok 1788
191: ok 1789
191: ok 1790
191: ok 1791
191: ok 1792
191: ok 1793
191: ok 1794
191: ok 1795
191: ok 1796
191: ok 1797
191: ok 1798
191: ok 1799
191: ok 1800
191: ok 1801
191: ok 1802
191: ok 1803
191: ok 1804
191: ok 1805
191: ok 1806
191: ok 1807
191: ok 1808
191: ok 1809
191: ok 1810
191: ok 1811
191: ok 1812
191: ok 1813
191: ok 1814
191: ok 1815
191: ok 1816
191: ok 1817
191: ok 1818
191: ok 1819
191: ok 1820
191: ok 1821
191: ok 1822
191: ok 1823
191: ok 1824
191: ok 1825
191: ok 1826
191: ok 1827
191: ok 1828
191: ok 1829
191: ok 1830
191: ok 1831
191: ok 1832
191: ok 1833
191: ok 1834
191: ok 1835
191: ok 1836
191: ok 1837
191: ok 1838
191: ok 1839
191: ok 1840
191: ok 1841
191: ok 1842
191: ok 1843
191: ok 1844
191: ok 1845
191: ok 1846
191: ok 1847
191: ok 1848
191: ok 1849
191: ok 1850
191: ok 1851
191: ok 1852
191: ok 1853
191: ok 1854
191: ok 1855
191: ok 1856
191: ok 1857
191: ok 1858
191: ok 1859
191: ok 1860
191: ok 1861
191: ok 1862
191: ok 1863
191: ok 1864
191: ok 1865
191: ok 1866
191: ok 1867
191: ok 1868
191: ok 1869
191: ok 1870
191: ok 1871
191: ok 1872
191: ok 1873
191: ok 1874
191: ok 1875
191: ok 1876
191: ok 1877
191: ok 1878
191: ok 1879
191: ok 1880
191: ok 1881
191: ok 1882
191: ok 1883
191: ok 1884
191: ok 1885
191: ok 1886
191: ok 1887
191: ok 1888
191: ok 1889
191: ok 1890
191: ok 1891
191: ok 1892
191: ok 1893
191: ok 1894
191: ok 1895
191: ok 1896
191: ok 1897
191: ok 1898
191: ok 1899
191: ok 1900
191: ok 1901
191: ok 1902
191: ok 1903
191: ok 1904
191: ok 1905
191: ok 1906
191: ok 1907
191: ok 1908
191: ok 1909
191: ok 1910
191: ok 1911
191: ok 1912
191: ok 1913
191: ok 1914
191: ok 1915
191: ok 1916
191: ok 1917
191: ok 1918
191: ok 1919
191: ok 1920
191: ok 1921
191: ok 1922
191: ok 1923
191: ok 1924
191: ok 1925
191: ok 1926
191: ok 1927
191: ok 1928
191: ok 1929
191: ok 1930
191: ok 1931
191: ok 1932
191: ok 1933
191: ok 1934
191: ok 1935
191: ok 1936
191: ok 1937
191: ok 1938
191: ok 1939
191: ok 1940
191: ok 1941
191: ok 1942
191: ok 1943
191: ok 1944
191: ok 1945
191: ok 1946
191: ok 1947
191: ok 1948
191: ok 1949
191: ok 1950
191: ok 1951
191: ok 1952
191: ok 1953
191: ok 1954
191: ok 1955
191: ok 1956
191: ok 1957
191: ok 1958
191: ok 1959
191: ok 1960
191: ok 1961
191: ok 1962
191: ok 1963
191: ok 1964
191: ok 1965
191: ok 1966
191: ok 1967
191: ok 1968
191: ok 1969
191: ok 1970
191: ok 1971
191: ok 1972
191: ok 1973
191: ok 1974
191: ok 1975
191: ok 1976
191: ok 1977
191: ok 1978
191: ok 1979
191: ok 1980
191: ok 1981
191: ok 1982
191: ok 1983
191: ok 1984
191: ok 1985
191: ok 1986
191: ok 1987
191: ok 1988
191: ok 1989
191: ok 1990
191: ok 1991
191: ok 1992
191: ok 1993
191: ok 1994
191: ok 1995
191: ok 1996
191: ok 1997
191: ok 1998
191: ok 1999
191: ok 2000
191: ok 2001
191: ok 2002
191: ok 2003
191: ok 2004
191: ok 2005
191: ok 2006
191: ok 2007
191: ok 2008
191: ok 2009
191: ok 2010
191: ok 2011
191: ok 2012
191: ok 2013
191: ok 2014
191: ok 2015
191: ok 2016
191: ok 2017
191: ok 2018
191: ok 2019
191: ok 2020
191: ok 2021
191: ok 2022
191: ok 2023
191: ok 2024
191: ok 2025
191: ok 2026
191: ok 2027
191: ok 2028
191: ok 2029
191: ok 2030
191: ok 2031
191: ok 2032
191: ok 2033
191: ok 2034
191: ok 2035
191: ok 2036
191: ok 2037
191: ok 2038
191: ok 2039
191: ok 2040
191: ok 2041
191: ok 2042
191: ok 2043
191: ok 2044
191: ok 2045
191: ok 2046
191: ok 2047
191: ok 2048
191: ok 2049
191: ok 2050
191: ok 2051
191: ok 2052
191: ok 2053
191: ok 2054
191: ok 2055
191: ok 2056
191: ok 2057
191: ok 2058
191: ok 2059
191: ok 2060
191: ok 2061
191: ok 2062
191: ok 2063
191: ok 2064
191: ok 2065
191: ok 2066
191: ok 2067
191: ok 2068
191: ok 2069
191: ok 2070
191: ok 2071
191: ok 2072
191: ok 2073
191: ok 2074
191: ok 2075
191: ok 2076
191: ok 2077
191: ok 2078
191: ok 2079
191: ok 2080
191: ok 2081
191: ok 2082
191: ok 2083
191: ok 2084
191: ok 2085
191: ok 2086
191: ok 2087
191: ok 2088
191: ok 2089
191: ok 2090
191: ok 2091
191: ok 2092
191: ok 2093
191: ok 2094
191: ok 2095
191: ok 2096
191: ok 2097
191: ok 2098
191: ok 2099
191: ok 2100
191: ok 2101
191: ok 2102
191: ok 2103
191: ok 2104
191: ok 2105
191: ok 2106
191: ok 2107
191: ok 2108
191: ok 2109
191: ok 2110
191: ok 2111
191: ok 2112
191: ok 2113
191: ok 2114
191: ok 2115
191: ok 2116
191: ok 2117
191: ok 2118
191: ok 2119
191: ok 2120
191: ok 2121
191: ok 2122
191: ok 2123
191: ok 2124
191: ok 2125
191: ok 2126
191: ok 2127
191: ok 2128
191: ok 2129
191: ok 2130
191: ok 2131
191: ok 2132
191: ok 2133
191: ok 2134
191: ok 2135
191: ok 2136
191: ok 2137
191: ok 2138
191: ok 2139
191: ok 2140
191: ok 2141
191: ok 2142
191: ok 2143
191: ok 2144
191: ok 2145
191: ok 2146
191: ok 2147
191: ok 2148
191: ok 2149
191: ok 2150
191: ok 2151
191: ok 2152
191: ok 2153
191: ok 2154
191: ok 2155
191: ok 2156
191: ok 2157
191: ok 2158
191: ok 2159
191: ok 2160
191: ok 2161
191: ok 2162
191: ok 2163
191: ok 2164
191: ok 2165
191: ok 2166
191: ok 2167
191: ok 2168
191: ok 2169
191: ok 2170
191: ok 2171
191: ok 2172
191: ok 2173
191: ok 2174
191: ok 2175
191: ok 2176
191: ok 2177
191: ok 2178
191: ok 2179
191: ok 2180
191: ok 2181
191: ok 2182
191: ok 2183
191: ok 2184
191: ok 2185
191: ok 2186
191: ok 2187
191: ok 2188
191: ok 2189
191: ok 2190
191: ok 2191
191: ok 2192
191: ok 2193
191: ok 2194
191: ok 2195
191: ok 2196
191: ok 2197
191: ok 2198
191: ok 2199
191: ok 2200
191: ok 2201
191: ok 2202
191: ok 2203
191: ok 2204
191: ok 2205
191: ok 2206
191: ok 2207
191: ok 2208
191: ok 2209
191: ok 2210
191: ok 2211
191: ok 2212
191: ok 2213
191: ok 2214
191: ok 2215
191: ok 2216
191: ok 2217
191: ok 2218
191: ok 2219
191: ok 2220
191: ok 2221
191: ok 2222
191: ok 2223
191: ok 2224
191: ok 2225
191: ok 2226
191: ok 2227
191: ok 2228
191: ok 2229
191: ok 2230
191: ok 2231
191: ok 2232
191: ok 2233
191: ok 2234
191: ok 2235
191: ok 2236
191: ok 2237
191: ok 2238
191: ok 2239
191: ok 2240
191: ok 2241
191: ok 2242
191: ok 2243
191: ok 2244
191: ok 2245
191: ok 2246
191: ok 2247
191: ok 2248
191: ok 2249
191: ok 2250
191: ok 2251
191: ok 2252
191: ok 2253
191: ok 2254
191: ok 2255
191: ok 2256
191: ok 2257
191: ok 2258
191: ok 2259
191: ok 2260
191: ok 2261
191: ok 2262
191: ok 2263
191: ok 2264
191: ok 2265
191: ok 2266
191: ok 2267
191: ok 2268
191: ok 2269
191: ok 2270
191: ok 2271
191: ok 2272
191: ok 2273
191: ok 2274
191: ok 2275
191: ok 2276
191: ok 2277
191: ok 2278
191: ok 2279
191: ok 2280
191: ok 2281
191: ok 2282
191: ok 2283
191: ok 2284
191: ok 2285
191: ok 2286
191: ok 2287
191: ok 2288
191: ok 2289
191: ok 2290
191: ok 2291
191: ok 2292
191: ok 2293
191: ok 2294
191: ok 2295
191: ok 2296
191: ok 2297
191: ok 2298
191: ok 2299
191: ok 2300
191: ok 2301
191: ok 2302
191: ok 2303
191: ok 2304
191: ok 2305
191: ok 2306
191: ok 2307
191: ok 2308
191: ok 2309
191: ok 2310
191: ok 2311
191: ok 2312
191: ok 2313
191: ok 2314
191: ok 2315
191: ok 2316
191: ok 2317
191: ok 2318
191: ok 2319
191: ok 2320
191: ok 2321
191: ok 2322
191: ok 2323
191: ok 2324
191: ok 2325
191: ok 2326
191: ok 2327
191: ok 2328
191: ok 2329
191: ok 2330
191: ok 2331
191: ok 2332
191: ok 2333
191: ok 2334
191: ok 2335
191: ok 2336
191: ok 2337
191: ok 2338
191: ok 2339
191: ok 2340
191: ok 2341
191: ok 2342
191: ok 2343
191: ok 2344
191: ok 2345
191: ok 2346
191: ok 2347
191: ok 2348
191: ok 2349
191: ok 2350
191: ok 2351
191: ok 2352
191: ok 2353
191: ok 2354
191: ok 2355
191: ok 2356
191: ok 2357
191: ok 2358
191: ok 2359
191: ok 2360
191: ok 2361
191: ok 2362
191: ok 2363
191: ok 2364
191: ok 2365
191: ok 2366
191: ok 2367
191: ok 2368
191: ok 2369
191: ok 2370
191: ok 2371
191: ok 2372
191: ok 2373
191: ok 2374
191: ok 2375
191: ok 2376
191: ok 2377
191: ok 2378
191: ok 2379
191: ok 2380
191: ok 2381
191: ok 2382
191: ok 2383
191: ok 2384
191: ok 2385
191: ok 2386
191: ok 2387
191: ok 2388
191: ok 2389
191: ok 2390
191: ok 2391
191: ok 2392
191: ok 2393
191: ok 2394
191: ok 2395
191: ok 2396
191: ok 2397
191: ok 2398
191: ok 2399
191: ok 2400
191: ok 2401
191: ok 2402
191: ok 2403
191: ok 2404
191: ok 2405
191: ok 2406
191: ok 2407
191: ok 2408
191: ok 2409
191: ok 2410
191: ok 2411
191: ok 2412
191: ok 2413
191: ok 2414
191: ok 2415
191: ok 2416
191: ok 2417
191: ok 2418
191: ok 2419
191: ok 2420
191: ok 2421
191: ok 2422
191: ok 2423
191: ok 2424
191: ok 2425
191: ok 2426
191: ok 2427
191: ok 2428
191: ok 2429
191: ok 2430
191: ok 2431
191: ok 2432
191: ok 2433
191: ok 2434
191: ok 2435
191: ok 2436
191: ok 2437
191: ok 2438
191: ok 2439
191: ok 2440
191: ok 2441
191: ok 2442
191: ok 2443
191: ok 2444
191: ok 2445
191: ok 2446
191: ok 2447
191: ok 2448
191: ok 2449
191: ok 2450
191: ok 2451
191: ok 2452
191: ok 2453
191: ok 2454
191: ok 2455
191: ok 2456
191: ok 2457
191: ok 2458
191: ok 2459
191: ok 2460
191: ok 2461
191: ok 2462
191: ok 2463
191: ok 2464
191: ok 2465
191: ok 2466
191: ok 2467
191: ok 2468
191: ok 2469
191: ok 2470
191: ok 2471
191: ok 2472
191: ok 2473
191: ok 2474
191: ok 2475
191: ok 2476
191: ok 2477
191: ok 2478
191: ok 2479
191: ok 2480
191: ok 2481
191: ok 2482
191: ok 2483
191: ok 2484
191: ok 2485
191: ok 2486
191: ok 2487
191: ok 2488
191: ok 2489
191: ok 2490
191: ok 2491
191: ok 2492
191: ok 2493
191: ok 2494
191: ok 2495
191: ok 2496
191: ok 2497
191: ok 2498
191: ok 2499
191: ok 2500
191: ok 2501
191: ok 2502
191: ok 2503
191: ok 2504
191: ok 2505
191: ok 2506
191: ok 2507
191: ok 2508
191: ok 2509
191: ok 2510
191: ok 2511
191: ok 2512
191: ok 2513
191: ok 2514
191: ok 2515
191: ok 2516
191: ok 2517
191: ok 2518
191: ok 2519
191: ok 2520
191: ok 2521
191: ok 2522
191: ok 2523
191: ok 2524
191: ok 2525
191: ok 2526
191: ok 2527
191: ok 2528
191: ok 2529
191: ok 2530
191: ok 2531
191: ok 2532
191: ok 2533
191: ok 2534
191: ok 2535
191: ok 2536
191: ok 2537
191: ok 2538
191: ok 2539
191: ok 2540
191: ok 2541
191: ok 2542
191: ok 2543
191: ok 2544
191: ok 2545
191: ok 2546
191: ok 2547
191: ok 2548
191: ok 2549
191: ok 2550
191: ok 2551
191: ok 2552
191: ok 2553
191: ok 2554
191: ok 2555
191: ok 2556
191: ok 2557
191: ok 2558
191: ok 2559
191: ok 2560
191: ok 2561
191: ok 2562
191: ok 2563
191: ok 2564
191: ok 2565
191: ok 2566
191: ok 2567
191: ok 2568
191: ok 2569
191: ok 2570
191: ok 2571
191: ok 2572
191: ok 2573
191: ok 2574
191: ok 2575
191: ok 2576
191: ok 2577
191: ok 2578
191: ok 2579
191: ok 2580
191: ok 2581
191: ok 2582
191: ok 2583
191: ok 2584
191: ok 2585
191: ok 2586
191: ok 2587
191: ok 2588
191: ok 2589
191: ok 2590
191: ok 2591
191: ok 2592
191: ok 2593
191: ok 2594
191: ok 2595
191: ok 2596
191: ok 2597
191: ok 2598
191: ok 2599
191: ok 2600
191: ok 2601
191: ok 2602
191: ok 2603
191: ok 2604
191: ok 2605
191: ok 2606
191: ok 2607
191: ok 2608
191: ok 2609
191: ok 2610
191: ok 2611
191: ok 2612
191: ok 2613
191: ok 2614
191: ok 2615
191: ok 2616
191: ok 2617
191: ok 2618
191: ok 2619
191: ok 2620
191: ok 2621
191: ok 2622
191: ok 2623
191: ok 2624
191: ok 2625
191: ok 2626
191: ok 2627
191: ok 2628
191: ok 2629
191: ok 2630
191: ok 2631
191: ok 2632
191: ok 2633
191: ok 2634
191: ok 2635
191: ok 2636
191: ok 2637
191: ok 2638
191: ok 2639
191: ok 2640
191: ok 2641
191: ok 2642
191: ok 2643
191: ok 2644
191: ok 2645
191: ok 2646
191: ok 2647
191: ok 2648
191: ok 2649
191: ok 2650
191: ok 2651
191: ok 2652
191: ok 2653
191: ok 2654
191: ok 2655
191: ok 2656
191: ok 2657
191: ok 2658
191: ok 2659
191: ok 2660
191: ok 2661
191: ok 2662
191: ok 2663
191: ok 2664
191: ok 2665
191: ok 2666
191: ok 2667
191: ok 2668
191: ok 2669
191: ok 2670
191: ok 2671
191: ok 2672
191: ok 2673
191: ok 2674
191: ok 2675
191: ok 2676
191: ok 2677
191: ok 2678
191: ok 2679
191: ok 2680
191: ok 2681
191: ok 2682
191: ok 2683
191: ok 2684
191: ok 2685
191: ok 2686
191: ok 2687
191: ok 2688
191: ok 2689
191: ok 2690
191: ok 2691
191: ok 2692
191: ok 2693
191: ok 2694
191: ok 2695
191: ok 2696
191: ok 2697
191: ok 2698
191: ok 2699
191: ok 2700
191: ok 2701
191: ok 2702
191: ok 2703
191: ok 2704
191: ok 2705
191: ok 2706
191: ok 2707
191: ok 2708
191: ok 2709
191: ok 2710
191: ok 2711
191: ok 2712
191: ok 2713
191: ok 2714
191: ok 2715
191: ok 2716
191: ok 2717
191: ok 2718
191: ok 2719
191: ok 2720
191: ok 2721
191: ok 2722
191: ok 2723
191: ok 2724
191: ok 2725
191: ok 2726
191: ok 2727
191: ok 2728
191: ok 2729
191: ok 2730
191: ok 2731
191: ok 2732
191: ok 2733
191: ok 2734
191: ok 2735
191: ok 2736
191: ok 2737
191: ok 2738
191: ok 2739
191: ok 2740
191: ok 2741
191: ok 2742
191: ok 2743
191: ok 2744
191: ok 2745
191: ok 2746
191: ok 2747
191: ok 2748
191: ok 2749
191: ok 2750
191: ok 2751
191: ok 2752
191: ok 2753
191: ok 2754
191: ok 2755
191: ok 2756
191: ok 2757
191: ok 2758
191: ok 2759
191: ok 2760
191: ok 2761
191: ok 2762
191: ok 2763
191: ok 2764
191: ok 2765
191: ok 2766
191: ok 2767
191: ok 2768
191: ok 2769
191: ok 2770
191: ok 2771
191: ok 2772
191: ok 2773
191: ok 2774
191: ok 2775
191: ok 2776
191: ok 2777
191: ok 2778
191: ok 2779
191: ok 2780
191: ok 2781
191: ok 2782
191: ok 2783
191: ok 2784
191: ok 2785
191: ok 2786
191: ok 2787
191: ok 2788
191: ok 2789
191: ok 2790
191: ok 2791
191: ok 2792
191: ok 2793
191: ok 2794
191: ok 2795
191: ok 2796
191: ok 2797
191: ok 2798
191: ok 2799
191: ok 2800
191: ok 2801
191: ok 2802
191: ok 2803
191: ok 2804
191: ok 2805
191: ok 2806
191: ok 2807
191: ok 2808
191: ok 2809
191: ok 2810
191: ok 2811
191: ok 2812
191: ok 2813
191: ok 2814
191: ok 2815
191: ok 2816
191: ok 2817
191: ok 2818
191: ok 2819
191: ok 2820
191: ok 2821
191: ok 2822
191: ok 2823
191: ok 2824
191: ok 2825
191: ok 2826
191: ok 2827
191: ok 2828
191: ok 2829
191: ok 2830
191: ok 2831
191: ok 2832
191: ok 2833
191: ok 2834
191: ok 2835
191: ok 2836
191: ok 2837
191: ok 2838
191: ok 2839
191: ok 2840
191: ok 2841
191: ok 2842
191: ok 2843
191: ok 2844
191: ok 2845
191: ok 2846
191: ok 2847
191: ok 2848
191: ok 2849
191: ok 2850
191: ok 2851
191: ok 2852
191: ok 2853
191: ok 2854
191: ok 2855
191: ok 2856
191: ok 2857
191: ok 2858
191: ok 2859
191: ok 2860
191: ok 2861
191: ok 2862
191: ok 2863
191: ok 2864
191: ok 2865
191: ok 2866
191: ok 2867
191: ok 2868
191: ok 2869
191: ok 2870
191: ok 2871
191: ok 2872
191: ok 2873
191: ok 2874
191: ok 2875
191: ok 2876
191: ok 2877
191: ok 2878
191: ok 2879
191: ok 2880
191: ok 2881
191: ok 2882
191: ok 2883
191: ok 2884
191: ok 2885
191: ok 2886
191: ok 2887
191: ok 2888
191: ok 2889
191: ok 2890
191: ok 2891
191: ok 2892
191: ok 2893
191: ok 2894
191: ok 2895
191: ok 2896
191: ok 2897
191: ok 2898
191: ok 2899
191: ok 2900
191: ok 2901
191: ok 2902
191: ok 2903
191: ok 2904
191: ok 2905
191: ok 2906
191: ok 2907
191: ok 2908
191: ok 2909
191: ok 2910
191: ok 2911
191: ok 2912
191: ok 2913
191: ok 2914
191: ok 2915
191: ok 2916
191: ok 2917
191: ok 2918
191: ok 2919
191: ok 2920
191: ok 2921
191: ok 2922
191: ok 2923
191: ok 2924
191: ok 2925
191: ok 2926
191: ok 2927
191: ok 2928
191: ok 2929
191: ok 2930
191: ok 2931
191: ok 2932
191: ok 2933
191: ok 2934
191: ok 2935
191: ok 2936
191: ok 2937
191: ok 2938
191: ok 2939
191: ok 2940
191: ok 2941
191: ok 2942
191: ok 2943
191: ok 2944
191: ok 2945
191: ok 2946
191: ok 2947
191: ok 2948
191: ok 2949
191: ok 2950
191: ok 2951
191: ok 2952
191: ok 2953
191: ok 2954
191: ok 2955
191: ok 2956
191: ok 2957
191: ok 2958
191: ok 2959
191: ok 2960
191: ok 2961
191: ok 2962
191: ok 2963
191: ok 2964
191: ok 2965
191: ok 2966
191: ok 2967
191: ok 2968
191: ok 2969
191: ok 2970
191: ok 2971
191: ok 2972
191: ok 2973
191: ok 2974
191: ok 2975
191: ok 2976
191: ok 2977
191: ok 2978
191: ok 2979
191: ok 2980
191: ok 2981
191: ok 2982
191: ok 2983
191: ok 2984
191: ok 2985
191: ok 2986
191: ok 2987
191: ok 2988
191: ok 2989
191: ok 2990
191: ok 2991
191: ok 2992
191: ok 2993
191: ok 2994
191: ok 2995
191: ok 2996
191: ok 2997
191: ok 2998
191: ok 2999
191: ok 3000
191: ok 3001
191: ok 3002
191: ok 3003
191: ok 3004
191: ok 3005
191: ok 3006
191: ok 3007
191: ok 3008
191: ok 3009
191: ok 3010
191: ok 3011
191: ok 3012
191: ok 3013
191: ok 3014
191: ok 3015
191: ok 3016
191: ok 3017
191: ok 3018
191: ok 3019
191: ok 3020
191: ok 3021
191: ok 3022
191: ok 3023
191: ok 3024
191: ok 3025
191: ok 3026
191: ok 3027
191: ok 3028
191: ok 3029
191: ok 3030
191: ok 3031
191: ok 3032
191: ok 3033
191: ok 3034
191: ok 3035
191: ok 3036
191: ok 3037
191: ok 3038
191: ok 3039
191: ok 3040
191: ok 3041
191: ok 3042
191: ok 3043
191: ok 3044
191: ok 3045
191: ok 3046
191: ok 3047
191: ok 3048
191: ok 3049
191: ok 3050
191: ok 3051
191: ok 3052
191: ok 3053
191: ok 3054
191: ok 3055
191: ok 3056
191: ok 3057
191: ok 3058
191: ok 3059
191: ok 3060
191: ok 3061
191: ok 3062
191: ok 3063
191: ok 3064
191: ok 3065
191: ok 3066
191: ok 3067
191: ok 3068
191: ok 3069
191: ok 3070
191: ok 3071
191: ok 3072
191: ok 3073
191: ok 3074
191: ok 3075
191: ok 3076
191: ok 3077
191: ok 3078
191: ok 3079
191: ok 3080
191: ok 3081
191: ok 3082
191: ok 3083
191: ok 3084
191: ok 3085
191: ok 3086
191: ok 3087
191: ok 3088
191: ok 3089
191: ok 3090
191: ok 3091
191: ok 3092
191: ok 3093
191: ok 3094
191: ok 3095
191: ok 3096
191: ok 3097
191: ok 3098
191: ok 3099
191: ok 3100
191: ok 3101
191: ok 3102
191: ok 3103
191: ok 3104
191: ok 3105
191: ok 3106
191: ok 3107
191: ok 3108
191: ok 3109
191: ok 3110
191: ok 3111
191: ok 3112
191: ok 3113
191: ok 3114
191: ok 3115
191: ok 3116
191: ok 3117
191: ok 3118
191: ok 3119
191: ok 3120
191: ok 3121
191: ok 3122
191: ok 3123
191: ok 3124
191: ok 3125
191: ok 3126
191: ok 3127
191: ok 3128
191: ok 3129
191: ok 3130
191: ok 3131
191: ok 3132
191: ok 3133
191: ok 3134
191: ok 3135
191: ok 3136
191: ok 3137
191: ok 3138
191: ok 3139
191: ok 3140
191: ok 3141
191: ok 3142
191: ok 3143
191: ok 3144
191: ok 3145
191: ok 3146
191: ok 3147
191: ok 3148
191: ok 3149
191: ok 3150
191: ok 3151
191: ok 3152
191: ok 3153
191: ok 3154
191: ok 3155
191: ok 3156
191: ok 3157
191: ok 3158
191: ok 3159
191: ok 3160
191: ok 3161
191: ok 3162
191: ok 3163
191: ok 3164
191: ok 3165
191: ok 3166
191: ok 3167
191: ok 3168
191: ok 3169
191: ok 3170
191: ok 3171
191: ok 3172
191: ok 3173
191: ok 3174
191: ok 3175
191: ok 3176
191: ok 3177
191: ok 3178
191: ok 3179
191: ok 3180
191: ok 3181
191: ok 3182
191: ok 3183
191: ok 3184
191: ok 3185
191: ok 3186
191: ok 3187
191: ok 3188
191: ok 3189
191: ok 3190
191: ok 3191
191: ok 3192
191: ok 3193
191: ok 3194
191: ok 3195
191: ok 3196
191: ok 3197
191: ok 3198
191: ok 3199
191: ok 3200
191: ok 3201
191: ok 3202
191: ok 3203
191: ok 3204
191: ok 3205
191: ok 3206
191: ok 3207
191: ok 3208
191: ok 3209
191: ok 3210
191: ok 3211
191: ok 3212
191: ok 3213
191: ok 3214
191: ok 3215
191: ok 3216
191: ok 3217
191: ok 3218
191: ok 3219
191: ok 3220
191: ok 3221
191: ok 3222
191: ok 3223
191: ok 3224
191: ok 3225
191: ok 3226
191: ok 3227
191: ok 3228
191: ok 3229
191: ok 3230
191: ok 3231
191: ok 3232
191: ok 3233
191: ok 3234
191: ok 3235
191: ok 3236
191: ok 3237
191: ok 3238
191: ok 3239
191: ok 3240
191: ok 3241
191: ok 3242
191: ok 3243
191: ok 3244
191: ok 3245
191: ok 3246
191: ok 3247
191: ok 3248
191: ok 3249
191: ok 3250
191: ok 3251
191: ok 3252
191: ok 3253
191: ok 3254
191: ok 3255
191: ok 3256
191: ok 3257
191: ok 3258
191: ok 3259
191: ok 3260
191: ok 3261
191: ok 3262
191: ok 3263
191: ok 3264
191: ok 3265
191: ok 3266
191: ok 3267
191: ok 3268
191: ok 3269
191: ok 3270
191: ok 3271
191: ok 3272
191: ok 3273
191: ok 3274
191: ok 3275
191: ok 3276
191: ok 3277
191: ok 3278
191: ok 3279
191: ok 3280
191: ok 3281
191: ok 3282
191: ok 3283
191: ok 3284
191: ok 3285
191: ok 3286
191: ok 3287
191: ok 3288
191: ok 3289
191: ok 3290
191: ok 3291
191: ok 3292
191: ok 3293
191: ok 3294
191: ok 3295
191: ok 3296
191: ok 3297
191: ok 3298
191: ok 3299
191: ok 3300
191: ok 3301
191: ok 3302
191: ok 3303
191: ok 3304
191: ok 3305
191: ok 3306
191: ok 3307
191: ok 3308
191: ok 3309
191: ok 3310
191: ok 3311
191: ok 3312
191: ok 3313
191: ok 3314
191: ok 3315
191: ok 3316
191: ok 3317
191: ok 3318
191: ok 3319
191: ok 3320
191: ok 3321
191: ok 3322
191: ok 3323
191: ok 3324
191: ok 3325
191: ok 3326
191: ok 3327
191: ok 3328
191: ok 3329
191: ok 3330
191: ok 3331
191: ok 3332
191: ok 3333
191: ok 3334
191: ok 3335
191: ok 3336
191: ok 3337
191: ok 3338
191: ok 3339
191: ok 3340
191: ok 3341
191: ok 3342
191: ok 3343
191: ok 3344
191: ok 3345
191: ok 3346
191: ok 3347
191: ok 3348
191: ok 3349
191: ok 3350
191: ok 3351
191: ok 3352
191: ok 3353
191: ok 3354
191: ok 3355
191: ok 3356
191: ok 3357
191: ok 3358
191: ok 3359
191: ok 3360
191: ok 3361
191: ok 3362
191: ok 3363
191: ok 3364
191: ok 3365
191: ok 3366
191: ok 3367
191: ok 3368
191: ok 3369
191: ok 3370
191: ok 3371
191: ok 3372
191: ok 3373
191: ok 3374
191: ok 3375
191: ok 3376
191: ok 3377
191: ok 3378
191: ok 3379
191: ok 3380
191: ok 3381
191: ok 3382
191: ok 3383
191: ok 3384
191: ok 3385
191: ok 3386
191: ok 3387
191: ok 3388
191: ok 3389
191: ok 3390
191: ok 3391
191: ok 3392
191: ok 3393
191: ok 3394
191: ok 3395
191: ok 3396
191: ok 3397
191: ok 3398
191: ok 3399
191: ok 3400
191: ok 3401
191: ok 3402
191: ok 3403
191: ok 3404
191: ok 3405
191: ok 3406
191: ok 3407
191: ok 3408
191: ok 3409
191: ok 3410
191: ok 3411
191: ok 3412
191: ok 3413
191: ok 3414
191: ok 3415
191: ok 3416
191: ok 3417
191: ok 3418
191: ok 3419
191: ok 3420
191: ok 3421
191: ok 3422
191: ok 3423
191: ok 3424
191: ok 3425
191: ok 3426
191: ok 3427
191: ok 3428
191: ok 3429
191: ok 3430
191: ok 3431
191: ok 3432
191: ok 3433
191: ok 3434
191: ok 3435
191: ok 3436
191: ok 3437
191: ok 3438
191: ok 3439
191: ok 3440
191: ok 3441
191: ok 3442
191: ok 3443
191: ok 3444
191: ok 3445
191: ok 3446
191: ok 3447
191: ok 3448
191: ok 3449
191: ok 3450
191: ok 3451
191: ok 3452
191: ok 3453
191: ok 3454
191: ok 3455
191: ok 3456
191: ok 3457
191: ok 3458
191: ok 3459
191: ok 3460
191: ok 3461
191: ok 3462
191: ok 3463
191: ok 3464
191: ok 3465
191: ok 3466
191: ok 3467
191: ok 3468
191: ok 3469
191: ok 3470
191: ok 3471
191: ok 3472
191: ok 3473
191: ok 3474
191: ok 3475
191: ok 3476
191: ok 3477
191: ok 3478
191: ok 3479
191: ok 3480
191: ok 3481
191: ok 3482
191: ok 3483
191: ok 3484
191: ok 3485
191: ok 3486
191: ok 3487
191: ok 3488
191: ok 3489
191: ok 3490
191: ok 3491
191: ok 3492
191: ok 3493
191: ok 3494
191: ok 3495
191: ok 3496
191: ok 3497
191: ok 3498
191: ok 3499
191: ok 3500
191: ok 3501
191: ok 3502
191: ok 3503
191: ok 3504
191: ok 3505
191: ok 3506
191: ok 3507
191: ok 3508
191: ok 3509
191: ok 3510
191: ok 3511
191: ok 3512
191: ok 3513
191: ok 3514
191: ok 3515
191: ok 3516
191: ok 3517
191: ok 3518
191: ok 3519
191: ok 3520
191: ok 3521
191: ok 3522
191: ok 3523
191: ok 3524
191: ok 3525
191: ok 3526
191: ok 3527
191: ok 3528
191: ok 3529
191: ok 3530
191: ok 3531
191: ok 3532
191: ok 3533
191: ok 3534
191: ok 3535
191: ok 3536
191: ok 3537
191: ok 3538
191: ok 3539
191: ok 3540
191: ok 3541
191: ok 3542
191: ok 3543
191: ok 3544
191: ok 3545
191: ok 3546
191: ok 3547
191: ok 3548
191: ok 3549
191: ok 3550
191: ok 3551
191: ok 3552
191: ok 3553
191: ok 3554
191: ok 3555
191: ok 3556
191: ok 3557
191: ok 3558
191: ok 3559
191: ok 3560
191: ok 3561
191: ok 3562
191: ok 3563
191: ok 3564
191: ok 3565
191: ok 3566
191: ok 3567
191: ok 3568
191: ok 3569
191: ok 3570
191: ok 3571
191: ok 3572
191: ok 3573
191: ok 3574
191: ok 3575
191: ok 3576
191: ok 3577
191: ok 3578
191: ok 3579
191: ok 3580
191: ok 3581
191: ok 3582
191: ok 3583
191: ok 3584
191: ok 3585
191: ok 3586
191: ok 3587
191: ok 3588
191: ok 3589
191: ok 3590
191: ok 3591
191: ok 3592
191: ok 3593
191: ok 3594
191: ok 3595
191: ok 3596
191: ok 3597
191: ok 3598
191: ok 3599
191: ok 3600
191: ok 3601
191: ok 3602
191: ok 3603
191: ok 3604
191: ok 3605
191: ok 3606
191: ok 3607
191: ok 3608
191: ok 3609
191: ok 3610
191: ok 3611
191: ok 3612
191: ok 3613
191: ok 3614
191: ok 3615
191: ok 3616
191: ok 3617
191: ok 3618
191: ok 3619
191: ok 3620
191: ok 3621
191: ok 3622
191: ok 3623
191: ok 3624
191: ok 3625
191: ok 3626
191: ok 3627
191: ok 3628
191: ok 3629
191: ok 3630
191: ok 3631
191: ok 3632
191: ok 3633
191: ok 3634
191: ok 3635
191: ok 3636
191: ok 3637
191: ok 3638
191: ok 3639
191: ok 3640
191: ok 3641
191: ok 3642
191: ok 3643
191: ok 3644
191: ok 3645
191: ok 3646
191: ok 3647
191: ok 3648
191: ok 3649
191: ok 3650
191: ok 3651
191: ok 3652
191: ok 3653
191: ok 3654
191: ok 3655
191: ok 3656
191: ok 3657
191: ok 3658
191: ok 3659
191: ok 3660
191: ok 3661
191: ok 3662
191: ok 3663
191: ok 3664
191: ok 3665
191: ok 3666
191: ok 3667
191: ok 3668
191: ok 3669
191: ok 3670
191: ok 3671
191: ok 3672
191: ok 3673
191: ok 3674
191: ok 3675
191: ok 3676
191: ok 3677
191: ok 3678
191: ok 3679
191: ok 3680
191: ok 3681
191: ok 3682
191: ok 3683
191: ok 3684
191: ok 3685
191: ok 3686
191: ok 3687
191: ok 3688
191: ok 3689
191: ok 3690
191: ok 3691
191: ok 3692
191: ok 3693
191: ok 3694
191: ok 3695
191: ok 3696
191: ok 3697
191: ok 3698
191: ok 3699
191: ok 3700
191: ok 3701
191: ok 3702
191: ok 3703
191: ok 3704
191: ok 3705
191: ok 3706
191: ok 3707
191: ok 3708
191: ok 3709
191: ok 3710
191: ok 3711
191: ok 3712
191: ok 3713
191: ok 3714
191: ok 3715
191: ok 3716
191: ok 3717
191: ok 3718
191: ok 3719
191: ok 3720
191: ok 3721
191: ok 3722
191: ok 3723
191: ok 3724
191: ok 3725
191: ok 3726
191: ok 3727
191: ok 3728
191: ok 3729
191: ok 3730
191: ok 3731
191: ok 3732
191: ok 3733
191: ok 3734
191: ok 3735
191: ok 3736
191: ok 3737
191: ok 3738
191: ok 3739
191: ok 3740
191: ok 3741
191: ok 3742
191: ok 3743
191: ok 3744
191: ok 3745
191: ok 3746
191: ok 3747
191: ok 3748
191: ok 3749
191: ok 3750
191: ok 3751
191: ok 3752
191: ok 3753
191: ok 3754
191: ok 3755
191: ok 3756
191: ok 3757
191: ok 3758
191: ok 3759
191: ok 3760
191: ok 3761
191: ok 3762
191: ok 3763
191: ok 3764
191: ok 3765
191: ok 3766
191: ok 3767
191: ok 3768
191: ok 3769
191: ok 3770
191: ok 3771
191: ok 3772
191: ok 3773
191: ok 3774
191: ok 3775
191: ok 3776
191: ok 3777
191: ok 3778
191: ok 3779
191: ok 3780
191: ok 3781
191: ok 3782
191: ok 3783
191: ok 3784
191: ok 3785
191: ok 3786
191: ok 3787
191: ok 3788
191: ok 3789
191: ok 3790
191: ok 3791
191: ok 3792
191: ok 3793
191: ok 3794
191: ok 3795
191: ok 3796
191: ok 3797
191: ok 3798
191: ok 3799
191: ok 3800
191: ok 3801
191: ok 3802
191: ok 3803
191: ok 3804
191: ok 3805
191: ok 3806
191: ok 3807
191: ok 3808
191: ok 3809
191: ok 3810
191: ok 3811
191: ok 3812
191: ok 3813
191: ok 3814
191: ok 3815
191: ok 3816
191: ok 3817
191: ok 3818
191: ok 3819
191: ok 3820
191: ok 3821
191: ok 3822
191: ok 3823
191: ok 3824
191: ok 3825
191: ok 3826
191: ok 3827
191: ok 3828
191: ok 3829
191: ok 3830
191: ok 3831
191: ok 3832
191: ok 3833
191: ok 3834
191: ok 3835
191: ok 3836
191: ok 3837
191: ok 3838
191: ok 3839
191: ok 3840
191: ok 3841
191: ok 3842
191: ok 3843
191: ok 3844
191: ok 3845
191: ok 3846
191: ok 3847
191: ok 3848
191: ok 3849
191: ok 3850
191: ok 3851
191: ok 3852
191: ok 3853
191: ok 3854
191: ok 3855
191: ok 3856
191: ok 3857
191: ok 3858
191: ok 3859
191: ok 3860
191: ok 3861
191: ok 3862
191: ok 3863
191: ok 3864
191: ok 3865
191: ok 3866
191: ok 3867
191: ok 3868
191: ok 3869
191: ok 3870
191: ok 3871
191: ok 3872
191: ok 3873
191: ok 3874
191: ok 3875
191: ok 3876
191: ok 3877
191: ok 3878
191: ok 3879
191: ok 3880
191: ok 3881
191: ok 3882
191: ok 3883
191: ok 3884
191: ok 3885
191: ok 3886
191: ok 3887
191: ok 3888
191: ok 3889
191: ok 3890
191: ok 3891
191: ok 3892
191: ok 3893
191: ok 3894
191: ok 3895
191: ok 3896
191: ok 3897
191: ok 3898
191: ok 3899
191: ok 3900
191: ok 3901
191: ok 3902
191: ok 3903
191: ok 3904
191: ok 3905
191: ok 3906
191: ok 3907
191: ok 3908
191: ok 3909
191: ok 3910
191: ok 3911
191: ok 3912
191: ok 3913
191: ok 3914
191: ok 3915
191: ok 3916
191: ok 3917
191: ok 3918
191: ok 3919
191: ok 3920
191: ok 3921
191: ok 3922
191: ok 3923
191: ok 3924
191: ok 3925
191: ok 3926
191: ok 3927
191: ok 3928
191: ok 3929
191: ok 3930
191: ok 3931
191: ok 3932
191: ok 3933
191: ok 3934
191: ok 3935
191: ok 3936
191: ok 3937
191: ok 3938
191: ok 3939
191: ok 3940
191: ok 3941
191: ok 3942
191: ok 3943
191: ok 3944
191: ok 3945
191: ok 3946
191: ok 3947
191: ok 3948
191: ok 3949
191: ok 3950
191: ok 3951
191: ok 3952
191: ok 3953
191: ok 3954
191: ok 3955
191: ok 3956
191: ok 3957
191: ok 3958
191: ok 3959
191: ok 3960
191: ok 3961
191: ok 3962
191: ok 3963
191: ok 3964
191: ok 3965
191: ok 3966
191: ok 3967
191: ok 3968
191: ok 3969
191: ok 3970
191: ok 3971
191: ok 3972
191: ok 3973
191: ok 3974
191: ok 3975
191: ok 3976
191: ok 3977
191: ok 3978
191: ok 3979
191: ok 3980
191: ok 3981
191: ok 3982
191: ok 3983
191: ok 3984
191: ok 3985
191: ok 3986
191: ok 3987
191: ok 3988
191: ok 3989
191: ok 3990
191: ok 3991
191: ok 3992
191: ok 3993
191: ok 3994
191: ok 3995
191: ok 3996
191: ok 3997
191: ok 3998
191: ok 3999
191: ok 4000
191: ok 4001
191: ok 4002
191: ok 4003
191: ok 4004
191: ok 4005
191: ok 4006
191: ok 4007
191: ok 4008
191: ok 4009
191: ok 4010
191: ok 4011
191: ok 4012
191: ok 4013
191: ok 4014
191: ok 4015
191: ok 4016
191: ok 4017
191: ok 4018
191: ok 4019
191: ok 4020
191: ok 4021
191: ok 4022
191: ok 4023
191: ok 4024
191: ok 4025
191: ok 4026
191: ok 4027
191: ok 4028
191: ok 4029
191: ok 4030
191: ok 4031
191: ok 4032
191: ok 4033
191: ok 4034
191: ok 4035
191: ok 4036
191: ok 4037
191: ok 4038
191: ok 4039
191: ok 4040
191: ok 4041
191: ok 4042
191: ok 4043
191: ok 4044
191: ok 4045
191: ok 4046
191: ok 4047
191: ok 4048
191: ok 4049
191: ok 4050
191: ok 4051
191: ok 4052
191: ok 4053
191: ok 4054
191: ok 4055
191: ok 4056
191: ok 4057
191: ok 4058
191: ok 4059
191: ok 4060
191: ok 4061
191: ok 4062
191: ok 4063
191: ok 4064
191: ok 4065
191: ok 4066
191: ok 4067
191: ok 4068
191: ok 4069
191: ok 4070
191: ok 4071
191: ok 4072
191: ok 4073
191: ok 4074
191: ok 4075
191: ok 4076
191: ok 4077
191: ok 4078
191: ok 4079
191: ok 4080
191: ok 4081
191: ok 4082
191: ok 4083
191: ok 4084
191: ok 4085
191: ok 4086
191: ok 4087
191: ok 4088
191: ok 4089
191: ok 4090
191: ok 4091
191: ok 4092
191: ok 4093
191: ok 4094
191: ok 4095
191: ok 4096
191: ok 4097
191: ok 4098
191: ok 4099
191: ok 4100
191: ok 4101
191: ok 4102
191: ok 4103
191: ok 4104
191: ok 4105
191: ok 4106
191: ok 4107
191: ok 4108
191: ok 4109
191: ok 4110
191: ok 4111
191: ok 4112
191: ok 4113
191: ok 4114
191: ok 4115
191: ok 4116
191: ok 4117
191: ok 4118
191: ok 4119
191: ok 4120
191: ok 4121
191: ok 4122
191: ok 4123
191: ok 4124
191: ok 4125
191: ok 4126
191: ok 4127
191: ok 4128
191: ok 4129
191: ok 4130
191: ok 4131
191: ok 4132
191: ok 4133
191: ok 4134
191: ok 4135
191: ok 4136
191: ok 4137
191: ok 4138
191: ok 4139
191: ok 4140
191: ok 4141
191: ok 4142
191: ok 4143
191: ok 4144
191: ok 4145
191: ok 4146
191: ok 4147
191: ok 4148
191: ok 4149
191: ok 4150
191: ok 4151
191: ok 4152
191: ok 4153
191: ok 4154
191: ok 4155
191: ok 4156
191: ok 4157
191: ok 4158
191: ok 4159
191: ok 4160
191: ok 4161
191: ok 4162
191: ok 4163
191: ok 4164
191: ok 4165
191: ok 4166
191: ok 4167
191: ok 4168
191: ok 4169
191: ok 4170
191: ok 4171
191: ok 4172
191: ok 4173
191: ok 4174
191: ok 4175
191: ok 4176
191: ok 4177
191: ok 4178
191: ok 4179
191: ok 4180
191: ok 4181
191: ok 4182
191: ok 4183
191: ok 4184
191: ok 4185
191: ok 4186
191: ok 4187
191: ok 4188
191: ok 4189
191: ok 4190
191: ok 4191
191: ok 4192
191: ok 4193
191: ok 4194
191: ok 4195
191: ok 4196
191: ok 4197
191: ok 4198
191: ok 4199
191: ok 4200
191: ok 4201
191: ok 4202
191: ok 4203
191: ok 4204
191: ok 4205
191: ok 4206
191: ok 4207
191: ok 4208
191: ok 4209
191: ok 4210
191: ok 4211
191: ok 4212
191: ok 4213
191: ok 4214
191: ok 4215
191: ok 4216
191: ok 4217
191: ok 4218
191: ok 4219
191: ok 4220
191: ok 4221
191: ok 4222
191: ok 4223
191: ok 4224
191: ok 4225
191: ok 4226
191: ok 4227
191: ok 4228
191: ok 4229
191: ok 4230
191: ok 4231
191: ok 4232
191: ok 4233
191: ok 4234
191: ok 4235
191: ok 4236
191: ok 4237
191: ok 4238
191: ok 4239
191: ok 4240
191: ok 4241
191: ok 4242
191: ok 4243
191: ok 4244
191: ok 4245
191: ok 4246
191: ok 4247
191: ok 4248
191: ok 4249
191: ok 4250
191: ok 4251
191: ok 4252
191: ok 4253
191: ok 4254
191: ok 4255
191: ok 4256
191: ok 4257
191: ok 4258
191: ok 4259
191: ok 4260
191: ok 4261
191: ok 4262
191: ok 4263
191: ok 4264
191: ok 4265
191: ok 4266
191: ok 4267
191: ok 4268
191: ok 4269
191: ok 4270
191: ok 4271
191: ok 4272
191: ok 4273
191: ok 4274
191: ok 4275
191: ok 4276
191: ok 4277
191: ok 4278
191: ok 4279
191: ok 4280
191: ok 4281
191: ok 4282
191: ok 4283
191: ok 4284
191: ok 4285
191: ok 4286
191: ok 4287
191: ok 4288
191: ok 4289
191: ok 4290
191: ok 4291
191: ok 4292
191: ok 4293
191: ok 4294
191: ok 4295
191: ok 4296
191: ok 4297
191: ok 4298
191: ok 4299
191: ok 4300
191: ok 4301
191: ok 4302
191: ok 4303
191: ok 4304
191: ok 4305
191: ok 4306
191: ok 4307
191: ok 4308
191: ok 4309
191: ok 4310
191: ok 4311
191: ok 4312
191: ok 4313
191: ok 4314
191: ok 4315
191: ok 4316
191: ok 4317
191: ok 4318
191: ok 4319
191: ok 4320
191: ok 4321
191: ok 4322
191: ok 4323
191: ok 4324
191: ok 4325
191: ok 4326
191: ok 4327
191: ok 4328
191: ok 4329
191: ok 4330
191: ok 4331
191: ok 4332
191: ok 4333
191: ok 4334
191: ok 4335
191: ok 4336
191: ok 4337
191: ok 4338
191: ok 4339
191: ok 4340
191: ok 4341
191: ok 4342
191: ok 4343
191: ok 4344
191: ok 4345
191: ok 4346
191: ok 4347
191: ok 4348
191: ok 4349
191: ok 4350
191: ok 4351
191: ok 4352
191: ok 4353
191: ok 4354
191: ok 4355
191: ok 4356
191: ok 4357
191: ok 4358
191: ok 4359
191: ok 4360
191: ok 4361
191: ok 4362
191: ok 4363
191: ok 4364
191: ok 4365
191: ok 4366
191: ok 4367
191: ok 4368
191: ok 4369
191: ok 4370
191: ok 4371
191: ok 4372
191: ok 4373
191: ok 4374
191: ok 4375
191: ok 4376
191: ok 4377
191: ok 4378
191: ok 4379
191: ok 4380
191: ok 4381
191: ok 4382
191: ok 4383
191: ok 4384
191: ok 4385
191: ok 4386
191: ok 4387
191: ok 4388
191: ok 4389
191: ok 4390
191: ok 4391
191: ok 4392
191: ok 4393
191: ok 4394
191: ok 4395
191: ok 4396
191: ok 4397
191: ok 4398
191: ok 4399
191: ok 4400
191: ok 4401
191: ok 4402
191: ok 4403
191: ok 4404
191: ok 4405
191: ok 4406
191: ok 4407
191: ok 4408
191: ok 4409
191: ok 4410
191: ok 4411
191: ok 4412
191: ok 4413
191: ok 4414
191: ok 4415
191: ok 4416
191: ok 4417
191: ok 4418
191: ok 4419
191: ok 4420
191: ok 4421
191: ok 4422
191: ok 4423
191: ok 4424
191: ok 4425
191: ok 4426
191: ok 4427
191: ok 4428
191: ok 4429
191: ok 4430
191: ok 4431
191: ok 4432
191: ok 4433
191: ok 4434
191: ok 4435
191: ok 4436
191: ok 4437
191: ok 4438
191: ok 4439
191: ok 4440
191: ok 4441
191: ok 4442
191: ok 4443
191: ok 4444
191: ok 4445
191: ok 4446
191: ok 4447
191: ok 4448
191: ok 4449
191: ok 4450
191: ok 4451
191: ok 4452
191: ok 4453
191: ok 4454
191: ok 4455
191: ok 4456
191: ok 4457
191: ok 4458
191: ok 4459
191: ok 4460
191: ok 4461
191: ok 4462
191: ok 4463
191: ok 4464
191: ok 4465
191: ok 4466
191: ok 4467
191: ok 4468
191: ok 4469
191: ok 4470
191: ok 4471
191: ok 4472
191: ok 4473
191: ok 4474
191: ok 4475
191: ok 4476
191: ok 4477
191: ok 4478
191: ok 4479
191: ok 4480
191: ok 4481
191: ok 4482
191: ok 4483
191: ok 4484
191: ok 4485
191: ok 4486
191: ok 4487
191: ok 4488
191: ok 4489
191: ok 4490
191: ok 4491
191: ok 4492
191: ok 4493
191: ok 4494
191: ok 4495
191: ok 4496
191: ok 4497
191: ok 4498
191: ok 4499
191: ok 4500
191: ok 4501
191: ok 4502
191: ok 4503
191: ok 4504
191: ok 4505
191: ok 4506
191: ok 4507
191: ok 4508
191: ok 4509
191: ok 4510
191: ok 4511
191: ok 4512
191: ok 4513
191: ok 4514
191: ok 4515
191: ok 4516
191: ok 4517
191: ok 4518
191: ok 4519
191: ok 4520
191: ok 4521
191: ok 4522
191: ok 4523
191: ok 4524
191: ok 4525
191: ok 4526
191: ok 4527
191: ok 4528
191: ok 4529
191: ok 4530
191: ok 4531
191: ok 4532
191: ok 4533
191: ok 4534
191: ok 4535
191: ok 4536
191: ok 4537
191: ok 4538
191: ok 4539
191: ok 4540
191: ok 4541
191: ok 4542
191: ok 4543
191: ok 4544
191: ok 4545
191: ok 4546
191: ok 4547
191: ok 4548
191: ok 4549
191: ok 4550
191: ok 4551
191: ok 4552
191: ok 4553
191: ok 4554
191: ok 4555
191: ok 4556
191: ok 4557
191: ok 4558
191: ok 4559
191: ok 4560
191: ok 4561
191: ok 4562
191: ok 4563
191: ok 4564
191: ok 4565
191: ok 4566
191: ok 4567
191: ok 4568
191: ok 4569
191: ok 4570
191: ok 4571
191: ok 4572
191: ok 4573
191: ok 4574
191: ok 4575
191: ok 4576
191: ok 4577
191: ok 4578
191: ok 4579
191: ok 4580
191: ok 4581
191: ok 4582
191: ok 4583
191: ok 4584
191: ok 4585
191: ok 4586
191: ok 4587
191: ok 4588
191: ok 4589
191: ok 4590
191: ok 4591
191: ok 4592
191: ok 4593
191: ok 4594
191: ok 4595
191: ok 4596
191: ok 4597
191: ok 4598
191: ok 4599
191: ok 4600
191: ok 4601
191: ok 4602
191: ok 4603
191: ok 4604
191: ok 4605
191: ok 4606
191: ok 4607
191: ok 4608
191: ok 4609
191: ok 4610
191: ok 4611
191: ok 4612
191: ok 4613
191: ok 4614
191: ok 4615
191: ok 4616
191: ok 4617
191: ok 4618
191: ok 4619
191: ok 4620
191: ok 4621
191: ok 4622
191: ok 4623
191: ok 4624
191: ok 4625
191: ok 4626
191: ok 4627
191: ok 4628
191: ok 4629
191: ok 4630
191: ok 4631
191: ok 4632
191: ok 4633
191: ok 4634
191: ok 4635
191: ok 4636
191: ok 4637
191: ok 4638
191: ok 4639
191: ok 4640
191: ok 4641
191: ok 4642
191: ok 4643
191: ok 4644
191: ok 4645
191: ok 4646
191: ok 4647
191: ok 4648
191: ok 4649
191: ok 4650
191: ok 4651
191: ok 4652
191: ok 4653
191: ok 4654
191: ok 4655
191: ok 4656
191: ok 4657
191: ok 4658
191: ok 4659
191: ok 4660
191: ok 4661
191: ok 4662
191: ok 4663
191: ok 4664
191: ok 4665
191: ok 4666
191: ok 4667
191: ok 4668
191: ok 4669
191: ok 4670
191: ok 4671
191: ok 4672
191: ok 4673
191: ok 4674
191: ok 4675
191: ok 4676
191: ok 4677
191: ok 4678
191: ok 4679
191: ok 4680
191: ok 4681
191: ok 4682
191: ok 4683
191: ok 4684
191: ok 4685
191: ok 4686
191: ok 4687
191: ok 4688
191: ok 4689
191: ok 4690
191: ok 4691
191: ok 4692
191: ok 4693
191: ok 4694
191: ok 4695
191: ok 4696
191: ok 4697
191: ok 4698
191: ok 4699
191: ok 4700
191: ok 4701
191: ok 4702
191: ok 4703
191: ok 4704
191: ok 4705
191: ok 4706
191: ok 4707
191: ok 4708
191: ok 4709
191: ok 4710
191: ok 4711
191: ok 4712
191: ok 4713
191: ok 4714
191: ok 4715
191: ok 4716
191: ok 4717
191: ok 4718
191: ok 4719
191: ok 4720
191: ok 4721
191: ok 4722
191: ok 4723
191: ok 4724
191: ok 4725
191: ok 4726
191: ok 4727
191: ok 4728
191: ok 4729
191: ok 4730
191: ok 4731
191: ok 4732
191: ok 4733
191: ok 4734
191: ok 4735
191: ok 4736
191: ok 4737
191: ok 4738
191: ok 4739
191: ok 4740
191: ok 4741
191: ok 4742
191: ok 4743
191: ok 4744
191: ok 4745
191: ok 4746
191: ok 4747
191: ok 4748
191: ok 4749
191: ok 4750
191: ok 4751
191: ok 4752
191: ok 4753
191: ok 4754
191: ok 4755
191: ok 4756
191: ok 4757
191: ok 4758
191: ok 4759
191: ok 4760
191: ok 4761
191: ok 4762
191: ok 4763
191: ok 4764
191: ok 4765
191: ok 4766
191: ok 4767
191: ok 4768
191: ok 4769
191: ok 4770
191: ok 4771
191: ok 4772
191: ok 4773
191: ok 4774
191: ok 4775
191: ok 4776
191: ok 4777
191: ok 4778
191: ok 4779
191: ok 4780
191: ok 4781
191: ok 4782
191: ok 4783
191: ok 4784
191: ok 4785
191: ok 4786
191: ok 4787
191: ok 4788
191: ok 4789
191: ok 4790
191: ok 4791
191: ok 4792
191: ok 4793
191: ok 4794
191: ok 4795
191: ok 4796
191: ok 4797
191: ok 4798
191: ok 4799
191: ok 4800
191: ok 4801
191: ok 4802
191: ok 4803
191: ok 4804
191: ok 4805
191: ok 4806
191: ok 4807
191: ok 4808
191: ok 4809
191: ok 4810
191: ok 4811
191: ok 4812
191: ok 4813
191: ok 4814
191: ok 4815
191: ok 4816
191: ok 4817
191: ok 4818
191: ok 4819
191: ok 4820
191: ok 4821
191: ok 4822
191: ok 4823
191: ok 4824
191: ok 4825
191: ok 4826
191: ok 4827
191: ok 4828
191: ok 4829
191: ok 4830
191: ok 4831
191: ok 4832
191: ok 4833
191: ok 4834
191: ok 4835
191: ok 4836
191: ok 4837
191: ok 4838
191: ok 4839
191: ok 4840
191: ok 4841
191: ok 4842
191: ok 4843
191: ok 4844
191: ok 4845
191: ok 4846
191: ok 4847
191: ok 4848
191: ok 4849
191: ok 4850
191: ok 4851
191: ok 4852
191: ok 4853
191: ok 4854
191: ok 4855
191: ok 4856
191: ok 4857
191: ok 4858
191: ok 4859
191: ok 4860
191: ok 4861
191: ok 4862
191: ok 4863
191: ok 4864
191: ok 4865
191: ok 4866
191: ok 4867
191: ok 4868
191: ok 4869
191: ok 4870
191: ok 4871
191: ok 4872
191: ok 4873
191: ok 4874
191: ok 4875
191: ok 4876
191: ok 4877
191: ok 4878
191: ok 4879
191: ok 4880
191: ok 4881
191: ok 4882
191: ok 4883
191: ok 4884
191: ok 4885
191: ok 4886
191: ok 4887
191: ok 4888
191: ok 4889
191: ok 4890
191: ok 4891
191: ok 4892
191: ok 4893
191: ok 4894
191: ok 4895
191: ok 4896
191: ok 4897
191: ok 4898
191: ok 4899
191: ok 4900
191: ok 4901
191: ok 4902
191: ok 4903
191: ok 4904
191: ok 4905
191: ok 4906
191: ok 4907
191: ok 4908
191: ok 4909
191: ok 4910
191: ok 4911
191: ok 4912
191: ok 4913
191: ok 4914
191: ok 4915
191: ok 4916
191: ok 4917
191: ok 4918
191: ok 4919
191: ok 4920
191: ok 4921
191: ok 4922
191: ok 4923
191: ok 4924
191: ok 4925
191: ok 4926
191: ok 4927
191: ok 4928
191: ok 4929
191: ok 4930
191: ok 4931
191: ok 4932
191: ok 4933
191: ok 4934
191: ok 4935
191: ok 4936
191: ok 4937
191: ok 4938
191: ok 4939
191: ok 4940
191: ok 4941
191: ok 4942
191: ok 4943
191: ok 4944
191: ok 4945
191: ok 4946
191: ok 4947
191: ok 4948
191: ok 4949
191: ok 4950
191: ok 4951
191: ok 4952
191: ok 4953
191: ok 4954
191: ok 4955
191: ok 4956
191: ok 4957
191: ok 4958
191: ok 4959
191: ok 4960
191: ok 4961
191: ok 4962
191: ok 4963
191: ok 4964
191: ok 4965
191: ok 4966
191: ok 4967
191: ok 4968
191: ok 4969
191: ok 4970
191: ok 4971
191: ok 4972
191: ok 4973
191: ok 4974
191: ok 4975
191: ok 4976
191: ok 4977
191: ok 4978
191: ok 4979
191: ok 4980
191: ok 4981
191: ok 4982
191: ok 4983
191: ok 4984
191: ok 4985
191: ok 4986
191: ok 4987
191: ok 4988
191: ok 4989
191: ok 4990
191: ok 4991
191: ok 4992
191: ok 4993
191: ok 4994
191: ok 4995
191: ok 4996
191: ok 4997
191: ok 4998
191: ok 4999
191: ok 5000
191: ok 5001
191: ok 5002
191: ok 5003
191: ok 5004
191: ok 5005
191: ok 5006
191: ok 5007
191: ok 5008
191: ok 5009
191: ok 5010
191: ok 5011
191: ok 5012
191: ok 5013
191: ok 5014
191: ok 5015
191: ok 5016
191: ok 5017
191: ok 5018
191: ok 5019
191: ok 5020
191: ok 5021
191: ok 5022
191: ok 5023
191: ok 5024
191: ok 5025
191: ok 5026
191: ok 5027
191: ok 5028
191: ok 5029
191: ok 5030
191: ok 5031
191: ok 5032
191: ok 5033
191: ok 5034
191: ok 5035
191: ok 5036
191: ok 5037
191: ok 5038
191: ok 5039
191: ok 5040
191: ok 5041
191: ok 5042
191: ok 5043
191: ok 5044
191: ok 5045
191: ok 5046
191: ok 5047
191: ok 5048
191: ok 5049
191: ok 5050
191: ok 5051
191: ok 5052
191: ok 5053
191: ok 5054
191: ok 5055
191: ok 5056
191: ok 5057
191: ok 5058
191: ok 5059
191: ok 5060
191: ok 5061
191: ok 5062
191: ok 5063
191: ok 5064
191: ok 5065
191: ok 5066
191: ok 5067
191: ok 5068
191: ok 5069
191: ok 5070
191: ok 5071
191: ok 5072
191: ok 5073
191: ok 5074
191: ok 5075
191: ok 5076
191: ok 5077
191: ok 5078
191: ok 5079
191: ok 5080
191: ok 5081
191: ok 5082
191: ok 5083
191: ok 5084
191: ok 5085
191: ok 5086
191: ok 5087
191: ok 5088
191: ok 5089
191: ok 5090
191: ok 5091
191: ok 5092
191: ok 5093
191: ok 5094
191: ok 5095
191: ok 5096
191: ok 5097
191: ok 5098
191: ok 5099
191: ok 5100
191: ok 5101
191: ok 5102
191: ok 5103
191: ok 5104
191: ok 5105
191: ok 5106
191: ok 5107
191: ok 5108
191: ok 5109
191: ok 5110
191: ok 5111
191: ok 5112
191: ok 5113
191: ok 5114
191: ok 5115
191: ok 5116
191: ok 5117
191: ok 5118
191: ok 5119
191: ok 5120
191: ok 5121
191: ok 5122
191: ok 5123
191: ok 5124
191: ok 5125
191: ok 5126
191: ok 5127
191: ok 5128
191: ok 5129
191: ok 5130
191: ok 5131
191: ok 5132
191: ok 5133
191: ok 5134
191: ok 5135
191: ok 5136
191: ok 5137
191: ok 5138
191: ok 5139
191: ok 5140
191: ok 5141
191: ok 5142
191: ok 5143
191: ok 5144
191: ok 5145
191: ok 5146
191: ok 5147
191: ok 5148
191: ok 5149
191: ok 5150
191: ok 5151
191: ok 5152
191: ok 5153
191: ok 5154
191: ok 5155
191: ok 5156
191: ok 5157
191: ok 5158
191: ok 5159
191: ok 5160
191: ok 5161
191: ok 5162
191: ok 5163
191: ok 5164
191: ok 5165
191: ok 5166
191: ok 5167
191: ok 5168
191: ok 5169
191: ok 5170
191: ok 5171
191: ok 5172
191: ok 5173
191: ok 5174
191: ok 5175
191: ok 5176
191: ok 5177
191: ok 5178
191: ok 5179
191: ok 5180
191: ok 5181
191: ok 5182
191: ok 5183
191: ok 5184
191: ok 5185
191: ok 5186
191: ok 5187
191: ok 5188
191: ok 5189
191: ok 5190
191: ok 5191
191: ok 5192
191: ok 5193
191: ok 5194
191: ok 5195
191: ok 5196
191: ok 5197
191: ok 5198
191: ok 5199
191: ok 5200
191: ok 5201
191: ok 5202
191: ok 5203
191: ok 5204
191: ok 5205
191: ok 5206
191: ok 5207
191: ok 5208
191: ok 5209
191: ok 5210
191: ok 5211
191: ok 5212
191: ok 5213
191: ok 5214
191: ok 5215
191: ok 5216
191: ok 5217
191: ok 5218
191: ok 5219
191: ok 5220
191: ok 5221
191: ok 5222
191: ok 5223
191: ok 5224
191: ok 5225
191: ok 5226
191: ok 5227
191: ok 5228
191: ok 5229
191: ok 5230
191: ok 5231
191: ok 5232
191: ok 5233
191: ok 5234
191: ok 5235
191: ok 5236
191: ok 5237
191: ok 5238
191: ok 5239
191: ok 5240
191: ok 5241
191: ok 5242
191: ok 5243
191: ok 5244
191: ok 5245
191: ok 5246
191: ok 5247
191: ok 5248
191: ok 5249
191: ok 5250
191: ok 5251
191: ok 5252
191: ok 5253
191: ok 5254
191: ok 5255
191: ok 5256
191: ok 5257
191: ok 5258
191: ok 5259
191: ok 5260
191: ok 5261
191: ok 5262
191: ok 5263
191: ok 5264
191: ok 5265
191: ok 5266
191: ok 5267
191: ok 5268
191: ok 5269
191: ok 5270
191: ok 5271
191: ok 5272
191: ok 5273
191: ok 5274
191: ok 5275
191: ok 5276
191: ok 5277
191: ok 5278
191: ok 5279
191: ok 5280
191: ok 5281
191: ok 5282
191: ok 5283
191: ok 5284
191: ok 5285
191: ok 5286
191: ok 5287
191: ok 5288
191: ok 5289
191: ok 5290
191: ok 5291
191: ok 5292
191: ok 5293
191: ok 5294
191: ok 5295
191: ok 5296
191: ok 5297
191: ok 5298
191: ok 5299
191: ok 5300
191: ok 5301
191: ok 5302
191: ok 5303
191: ok 5304
191: ok 5305
191: ok 5306
191: ok 5307
191: ok 5308
191: ok 5309
191: ok 5310
191: ok 5311
191: ok 5312
191: ok 5313
191: ok 5314
191: ok 5315
191: ok 5316
191: ok 5317
191: ok 5318
191: ok 5319
191: ok 5320
191: ok 5321
191: ok 5322
191: ok 5323
191: ok 5324
191: ok 5325
191: ok 5326
191: ok 5327
191: ok 5328
191: ok 5329
191: ok 5330
191: ok 5331
191: ok 5332
191: ok 5333
191: ok 5334
191: ok 5335
191: ok 5336
191: ok 5337
191: ok 5338
191: ok 5339
191: ok 5340
191: ok 5341
191: ok 5342
191: ok 5343
191: ok 5344
191: ok 5345
191: ok 5346
191: ok 5347
191: ok 5348
191: ok 5349
191: ok 5350
191: ok 5351
191: ok 5352
191: ok 5353
191: ok 5354
191: ok 5355
191: ok 5356
191: ok 5357
191: ok 5358
191: ok 5359
191: ok 5360
191: ok 5361
191: ok 5362
191: ok 5363
191: ok 5364
191: ok 5365
191: ok 5366
191: ok 5367
191: ok 5368
191: ok 5369
191: ok 5370
191: ok 5371
191: ok 5372
191: ok 5373
191: ok 5374
191: ok 5375
191: ok 5376
191: ok 5377
191: ok 5378
191: ok 5379
191: ok 5380
191: ok 5381
191: ok 5382
191: ok 5383
191: ok 5384
191: ok 5385
191: ok 5386
191: ok 5387
191: ok 5388
191: ok 5389
191: ok 5390
191: ok 5391
191: ok 5392
191: ok 5393
191: ok 5394
191: ok 5395
191: ok 5396
191: ok 5397
191: ok 5398
191: ok 5399
191: ok 5400
191: ok 5401
191: ok 5402
191: ok 5403
191: ok 5404
191: ok 5405
191: ok 5406
191: ok 5407
191: ok 5408
191: ok 5409
191: ok 5410
191: ok 5411
191: ok 5412
191: ok 5413
191: ok 5414
191: ok 5415
191: ok 5416
191: ok 5417
191: ok 5418
191: ok 5419
191: ok 5420
191: ok 5421
191: ok 5422
191: ok 5423
191: ok 5424
191: ok 5425
191: ok 5426
191: ok 5427
191: ok 5428
191: ok 5429
191: ok 5430
191: ok 5431
191: ok 5432
191: ok 5433
191: ok 5434
191: ok 5435
191: ok 5436
191: ok 5437
191: ok 5438
191: ok 5439
191: ok 5440
191: ok 5441
191: ok 5442
191: ok 5443
191: ok 5444
191: ok 5445
191: ok 5446
191: ok 5447
191: ok 5448
191: ok 5449
191: ok 5450
191: ok 5451
191: ok 5452
191: ok 5453
191: ok 5454
191: ok 5455
191: ok 5456
191: ok 5457
191: ok 5458
191: ok 5459
191: ok 5460
191: ok 5461
191: ok 5462
191: ok 5463
191: ok 5464
191: ok 5465
191: ok 5466
191: ok 5467
191: ok 5468
191: ok 5469
191: ok 5470
191: ok 5471
191: ok 5472
191: ok 5473
191: ok 5474
191: ok 5475
191: ok 5476
191: ok 5477
191: ok 5478
191: ok 5479
191: ok 5480
191: ok 5481
191: ok 5482
191: ok 5483
191: ok 5484
191: ok 5485
191: ok 5486
191: ok 5487
191: ok 5488
191: ok 5489
191: ok 5490
191: ok 5491
191: ok 5492
191: ok 5493
191: ok 5494
191: ok 5495
191: ok 5496
191: ok 5497
191: ok 5498
191: ok 5499
191: ok 5500
191: ok 5501
191: ok 5502
191: ok 5503
191: ok 5504
191: ok 5505
191: ok 5506
191: ok 5507
191: ok 5508
191: ok 5509
191: ok 5510
191: ok 5511
191: ok 5512
191: ok 5513
191: ok 5514
191: ok 5515
191: ok 5516
191: ok 5517
191: ok 5518
191: ok 5519
191: ok 5520
191: ok 5521
191: ok 5522
191: ok 5523
191: ok 5524
191: ok 5525
191: ok 5526
191: ok 5527
191: ok 5528
191: ok 5529
191: ok 5530
191: ok 5531
191: ok 5532
191: ok 5533
191: ok 5534
191: ok 5535
191: ok 5536
191: ok 5537
191: ok 5538
191: ok 5539
191: ok 5540
191: ok 5541
191: ok 5542
191: ok 5543
191: ok 5544
191: ok 5545
191: ok 5546
191: ok 5547
191: ok 5548
191: ok 5549
191: ok 5550
191: ok 5551
191: ok 5552
191: ok 5553
191: ok 5554
191: ok 5555
191: ok 5556
191: ok 5557
191: ok 5558
191: ok 5559
191: ok 5560
191: ok 5561
191: ok 5562
191: ok 5563
191: ok 5564
191: ok 5565
191: ok 5566
191: ok 5567
191: ok 5568
191: ok 5569
191: ok 5570
191: ok 5571
191: ok 5572
191: ok 5573
191: ok 5574
191: ok 5575
191: ok 5576
191: ok 5577
191: ok 5578
191: ok 5579
191: ok 5580
191: ok 5581
191: ok 5582
191: ok 5583
191: ok 5584
191: ok 5585
191: ok 5586
191: ok 5587
191: ok 5588
191: ok 5589
191: ok 5590
191: ok 5591
191: ok 5592
191: ok 5593
191: ok 5594
191: ok 5595
191: ok 5596
191: ok 5597
191: ok 5598
191: ok 5599
191: ok 5600
191: ok 5601
191: ok 5602
191: ok 5603
191: ok 5604
191: ok 5605
191: ok 5606
191: ok 5607
191: ok 5608
191: ok 5609
191: ok 5610
191: ok 5611
191: ok 5612
191: ok 5613
191: ok 5614
191: ok 5615
191: ok 5616
191: ok 5617
191: ok 5618
191: ok 5619
191: ok 5620
191: ok 5621
191: ok 5622
191: ok 5623
191: ok 5624
191: ok 5625
191: ok 5626
191: ok 5627
191: ok 5628
191: ok 5629
191: ok 5630
191: ok 5631
191: ok 5632
191: ok 5633
191: ok 5634
191: ok 5635
191: ok 5636
191: ok 5637
191: ok 5638
191: ok 5639
191: ok 5640
191: ok 5641
191: ok 5642
191: ok 5643
191: ok 5644
191: ok 5645
191: ok 5646
191: ok 5647
191: ok 5648
191: ok 5649
191: ok 5650
191: ok 5651
191: ok 5652
191: ok 5653
191: ok 5654
191: ok 5655
191: ok 5656
191: ok 5657
191: ok 5658
191: ok 5659
191: ok 5660
191: ok 5661
191: ok 5662
191: ok 5663
191: ok 5664
191: ok 5665
191: ok 5666
191: ok 5667
191: ok 5668
191: ok 5669
191: ok 5670
191: ok 5671
191: ok 5672
191: ok 5673
191: ok 5674
191: ok 5675
191: ok 5676
191: ok 5677
191: ok 5678
191: ok 5679
191: ok 5680
191: ok 5681
191: ok 5682
191: ok 5683
191: ok 5684
191: ok 5685
191: ok 5686
191: ok 5687
191: ok 5688
191: ok 5689
191: ok 5690
191: ok 5691
191: ok 5692
191: ok 5693
191: ok 5694
191: ok 5695
191: ok 5696
191: ok 5697
191: ok 5698
191: ok 5699
191: ok 5700
191: ok 5701
191: ok 5702
191: ok 5703
191: ok 5704
191: ok 5705
191: ok 5706
191: ok 5707
191: ok 5708
191: ok 5709
191: ok 5710
191: ok 5711
191: ok 5712
191: ok 5713
191: ok 5714
191: ok 5715
191: ok 5716
191: ok 5717
191: ok 5718
191: ok 5719
191: ok 5720
191: ok 5721
191: ok 5722
191: ok 5723
191: ok 5724
191: ok 5725
191: ok 5726
191: ok 5727
191: ok 5728
191: ok 5729
191: ok 5730
191: ok 5731
191: ok 5732
191: ok 5733
191: ok 5734
191: ok 5735
191: ok 5736
191: ok 5737
191: ok 5738
191: ok 5739
191: ok 5740
191: ok 5741
191: ok 5742
191: ok 5743
191: ok 5744
191: ok 5745
191: ok 5746
191: ok 5747
191: ok 5748
191: ok 5749
191: ok 5750
191: ok 5751
191: ok 5752
191: ok 5753
191: ok 5754
191: ok 5755
191: ok 5756
191: ok 5757
191: ok 5758
191: ok 5759
191: ok 5760
191: ok 5761
191: ok 5762
191: ok 5763
191: ok 5764
191: ok 5765
191: ok 5766
191: ok 5767
191: ok 5768
191: ok 5769
191: ok 5770
191: ok 5771
191: ok 5772
191: ok 5773
191: ok 5774
191: ok 5775
191: ok 5776
191: ok 5777
191: ok 5778
191: ok 5779
191: ok 5780
191: ok 5781
191: ok 5782
191: ok 5783
191: ok 5784
191: ok 5785
191: ok 5786
191: ok 5787
191: ok 5788
191: ok 5789
191: ok 5790
191: ok 5791
191: ok 5792
191: ok 5793
191: ok 5794
191: ok 5795
191: ok 5796
191: ok 5797
191: ok 5798
191: ok 5799
191: ok 5800
191: ok 5801
191: ok 5802
191: ok 5803
191: ok 5804
191: ok 5805
191: ok 5806
191: ok 5807
191: ok 5808
191: ok 5809
191: ok 5810
191: ok 5811
191: ok 5812
191: ok 5813
191: ok 5814
191: ok 5815
191: ok 5816
191: ok 5817
191: ok 5818
191: ok 5819
191: ok 5820
191: ok 5821
191: ok 5822
191: ok 5823
191: ok 5824
191: ok 5825
191: ok 5826
191: ok 5827
191: ok 5828
191: ok 5829
191: ok 5830
191: ok 5831
191: ok 5832
191: ok 5833
191: ok 5834
191: ok 5835
191: ok 5836
191: ok 5837
191: ok 5838
191: ok 5839
191: ok 5840
191: ok 5841
191: ok 5842
191: ok 5843
191: ok 5844
191: ok 5845
191: ok 5846
191: ok 5847
191: ok 5848
191: ok 5849
191: ok 5850
191: ok 5851
191: ok 5852
191: ok 5853
191: ok 5854
191: ok 5855
191: ok 5856
191: ok 5857
191: ok 5858
191: ok 5859
191: ok 5860
191: ok 5861
191: ok 5862
191: ok 5863
191: ok 5864
191: ok 5865
191: ok 5866
191: ok 5867
191: ok 5868
191: ok 5869
191: ok 5870
191: ok 5871
191: ok 5872
191: ok 5873
191: ok 5874
191: ok 5875
191: ok 5876
191: ok 5877
191: ok 5878
191: ok 5879
191: ok 5880
191: ok 5881
191: ok 5882
191: ok 5883
191: ok 5884
191: ok 5885
191: ok 5886
191: ok 5887
191: ok 5888
191: ok 5889
191: ok 5890
191: ok 5891
191: ok 5892
191: ok 5893
191: ok 5894
191: ok 5895
191: ok 5896
191: ok 5897
191: ok 5898
191: ok 5899
191: ok 5900
191: ok 5901
191: ok 5902
191: ok 5903
191: ok 5904
191: ok 5905
191: ok 5906
191: ok 5907
191: ok 5908
191: ok 5909
191: ok 5910
191: ok 5911
191: ok 5912
191: ok 5913
191: ok 5914
191: ok 5915
191: ok 5916
191: ok 5917
191: ok 5918
191: ok 5919
191: ok 5920
191: ok 5921
191: ok 5922
191: ok 5923
191: ok 5924
191: ok 5925
191: ok 5926
191: ok 5927
191: ok 5928
191: ok 5929
191: ok 5930
191: ok 5931
191: ok 5932
191: ok 5933
191: ok 5934
191: ok 5935
191: ok 5936
191: ok 5937
191: ok 5938
191: ok 5939
191: ok 5940
191: ok 5941
191: ok 5942
191: ok 5943
191: ok 5944
191: ok 5945
191: ok 5946
191: ok 5947
191: ok 5948
191: ok 5949
191: ok 5950
191: ok 5951
191: ok 5952
191: ok 5953
191: ok 5954
191: ok 5955
191: ok 5956
191: ok 5957
191: ok 5958
191: ok 5959
191: ok 5960
191: ok 5961
191: ok 5962
191: ok 5963
191: ok 5964
191: ok 5965
191: ok 5966
191: ok 5967
191: ok 5968
191: ok 5969
191: ok 5970
191: ok 5971
191: ok 5972
191: ok 5973
191: ok 5974
191: ok 5975
191: ok 5976
191: ok 5977
191: ok 5978
191: ok 5979
191: ok 5980
191: ok 5981
191: ok 5982
191: ok 5983
191: ok 5984
191: ok 5985
191: ok 5986
191: ok 5987
191: ok 5988
191: ok 5989
191: ok 5990
191: ok 5991
191: ok 5992
191: ok 5993
191: ok 5994
191: ok 5995
191: ok 5996
191: ok 5997
191: ok 5998
191: ok 5999
191: ok 6000
191: ok 6001
191: ok 6002
191: ok 6003
191: ok 6004
191: ok 6005
191: ok 6006
191: ok 6007
191: ok 6008
191: ok 6009
191: ok 6010
191: ok 6011
191: ok 6012
191: ok 6013
191: ok 6014
191: ok 6015
191: ok 6016
191: ok 6017
191: ok 6018
191: ok 6019
191: ok 6020
191: ok 6021
191: ok 6022
191: ok 6023
191: ok 6024
191: ok 6025
191: ok 6026
191: ok 6027
191: ok 6028
191: ok 6029
191: ok 6030
191: ok 6031
191: ok 6032
191: ok 6033
191: ok 6034
191: ok 6035
191: ok 6036
191: ok 6037
191: ok 6038
191: ok 6039
191: ok 6040
191: ok 6041
191: ok 6042
191: ok 6043
191: ok 6044
191: ok 6045
191: ok 6046
191: ok 6047
191: ok 6048
191: ok 6049
191: ok 6050
191: ok 6051
191: ok 6052
191: ok 6053
191: ok 6054
191: ok 6055
191: ok 6056
191: ok 6057
191: ok 6058
191: ok 6059
191: ok 6060
191: ok 6061
191: ok 6062
191: ok 6063
191: ok 6064
191: ok 6065
191: ok 6066
191: ok 6067
191: ok 6068
191: ok 6069
191: ok 6070
191: ok 6071
191: ok 6072
191: ok 6073
191: ok 6074
191: ok 6075
191: ok 6076
191: ok 6077
191: ok 6078
191: ok 6079
191: ok 6080
191: ok 6081
191: ok 6082
191: ok 6083
191: ok 6084
191: ok 6085
191: ok 6086
191: ok 6087
191: ok 6088
191: ok 6089
191: ok 6090
191: ok 6091
191: ok 6092
191: ok 6093
191: ok 6094
191: ok 6095
191: ok 6096
191: ok 6097
191: ok 6098
191: ok 6099
191: ok 6100
191: ok 6101
191: ok 6102
191: ok 6103
191: ok 6104
191: ok 6105
191: ok 6106
191: ok 6107
191: ok 6108
191: ok 6109
191: ok 6110
191: ok 6111
191: ok 6112
191: ok 6113
191: ok 6114
191: ok 6115
191: ok 6116
191: ok 6117
191: ok 6118
191: ok 6119
191: ok 6120
191: ok 6121
191: ok 6122
191: ok 6123
191: ok 6124
191: ok 6125
191: ok 6126
191: ok 6127
191: ok 6128
191: ok 6129
191: ok 6130
191: ok 6131
191: ok 6132
191: ok 6133
191: ok 6134
191: ok 6135
191: ok 6136
191: ok 6137
191: ok 6138
191: ok 6139
191: ok 6140
191: ok 6141
191: ok 6142
191: ok 6143
191: ok 6144
191: ok 6145
191: ok 6146
191: ok 6147
191: ok 6148
191: ok 6149
191: ok 6150
191: ok 6151
191: ok 6152
191: ok 6153
191: ok 6154
191: ok 6155
191: ok 6156
191: ok 6157
191: ok 6158
191: ok 6159
191: ok 6160
191: ok 6161
191: ok 6162
191: ok 6163
191: ok 6164
191: ok 6165
191: ok 6166
191: ok 6167
191: ok 6168
191: ok 6169
191: ok 6170
191: ok 6171
191: ok 6172
191: ok 6173
191: ok 6174
191: ok 6175
191: ok 6176
191: ok 6177
191: ok 6178
191: ok 6179
191: ok 6180
191: ok 6181
191: ok 6182
191: ok 6183
191: ok 6184
191: ok 6185
191: ok 6186
191: ok 6187
191: ok 6188
191: ok 6189
191: ok 6190
191: ok 6191
191: ok 6192
191: ok 6193
191: ok 6194
191: ok 6195
191: ok 6196
191: ok 6197
191: ok 6198
191: ok 6199
191: ok 6200
191: ok 6201
191: ok 6202
191: ok 6203
191: ok 6204
191: ok 6205
191: ok 6206
191: ok 6207
191: ok 6208
191: ok 6209
191: ok 6210
191: ok 6211
191: ok 6212
191: ok 6213
191: ok 6214
191: ok 6215
191: ok 6216
191: ok 6217
191: ok 6218
191: ok 6219
191: ok 6220
191: ok 6221
191: ok 6222
191: ok 6223
191: ok 6224
191: ok 6225
191: ok 6226
191: ok 6227
191: ok 6228
191: ok 6229
191: ok 6230
191: ok 6231
191: ok 6232
191: ok 6233
191: ok 6234
191: ok 6235
191: ok 6236
191: ok 6237
191: ok 6238
191: ok 6239
191: ok 6240
191: ok 6241
191: ok 6242
191: ok 6243
191: ok 6244
191: ok 6245
191: ok 6246
191: ok 6247
191: ok 6248
191: ok 6249
191: ok 6250
191: ok 6251
191: ok 6252
191: ok 6253
191: ok 6254
191: ok 6255
191: ok 6256
191: ok 6257
191: ok 6258
191: ok 6259
191: ok 6260
191: ok 6261
191: ok 6262
191: ok 6263
191: ok 6264
191: ok 6265
191: ok 6266
191: ok 6267
191: ok 6268
191: ok 6269
191: ok 6270
191: ok 6271
191: ok 6272
191: ok 6273
191: ok 6274
191: ok 6275
191: ok 6276
191: ok 6277
191: ok 6278
191: ok 6279
191: ok 6280
191: ok 6281
191: ok 6282
191: ok 6283
191: ok 6284
191: ok 6285
191: ok 6286
191: ok 6287
191: ok 6288
191: ok 6289
191: ok 6290
191: ok 6291
191: ok 6292
191: ok 6293
191: ok 6294
191: ok 6295
191: ok 6296
191: ok 6297
191: ok 6298
191: ok 6299
191: ok 6300
191: ok 6301
191: ok 6302
191: ok 6303
191: ok 6304
191: ok 6305
191: ok 6306
191: ok 6307
191: ok 6308
191: ok 6309
191: ok 6310
191: ok 6311
191: ok 6312
191: ok 6313
191: ok 6314
191: ok 6315
191: ok 6316
191: ok 6317
191: ok 6318
191: ok 6319
191: ok 6320
191: ok 6321
191: ok 6322
191: ok 6323
191: ok 6324
191: ok 6325
191: ok 6326
191: ok 6327
191: ok 6328
191: ok 6329
191: ok 6330
191: ok 6331
191: ok 6332
191: ok 6333
191: ok 6334
191: ok 6335
191: ok 6336
191: ok 6337
191: ok 6338
191: ok 6339
191: ok 6340
191: ok 6341
191: ok 6342
191: ok 6343
191: ok 6344
191: ok 6345
191: ok 6346
191: ok 6347
191: ok 6348
191: ok 6349
191: ok 6350
191: ok 6351
191: ok 6352
191: ok 6353
191: ok 6354
191: ok 6355
191: ok 6356
191: ok 6357
191: ok 6358
191: ok 6359
191: ok 6360
191: ok 6361
191: ok 6362
191: ok 6363
191: ok 6364
191: ok 6365
191: ok 6366
191: ok 6367
191: ok 6368
191: ok 6369
191: ok 6370
191: ok 6371
191: ok 6372
191: ok 6373
191: ok 6374
191: ok 6375
191: ok 6376
191: ok 6377
191: ok 6378
191: ok 6379
191: ok 6380
191: ok 6381
191: ok 6382
191: ok 6383
191: ok 6384
191: ok 6385
191: ok 6386
191: ok 6387
191: ok 6388
191: ok 6389
191: ok 6390
191: ok 6391
191: ok 6392
191: ok 6393
191: ok 6394
191: ok 6395
191: ok 6396
191: ok 6397
191: ok 6398
191: ok 6399
191: ok 6400
191: ok 6401
191: ok 6402
191: ok 6403
191: ok 6404
191: ok 6405
191: ok 6406
191: ok 6407
191: ok 6408
191: ok 6409
191: ok 6410
191: ok 6411
191: ok 6412
191: ok 6413
191: ok 6414
191: ok 6415
191: ok 6416
191: ok 6417
191: ok 6418
191: ok 6419
191: ok 6420
191: ok 6421
191: ok 6422
191: ok 6423
191: ok 6424
191: ok 6425
191: ok 6426
191: ok 6427
191: ok 6428
191: ok 6429
191: ok 6430
191: ok 6431
191: ok 6432
191: ok 6433
191: ok 6434
191: ok 6435
191: ok 6436
191: ok 6437
191: ok 6438
191: ok 6439
191: ok 6440
191: ok 6441
191: ok 6442
191: ok 6443
191: ok 6444
191: ok 6445
191: ok 6446
191: ok 6447
191: ok 6448
191: ok 6449
191: ok 6450
191: ok 6451
191: ok 6452
191: ok 6453
191: ok 6454
191: ok 6455
191: ok 6456
191: ok 6457
191: ok 6458
191: ok 6459
191: ok 6460
191: ok 6461
191: ok 6462
191: ok 6463
191: ok 6464
191: ok 6465
191: ok 6466
191: ok 6467
191: ok 6468
191: ok 6469
191: ok 6470
191: ok 6471
191: ok 6472
191: ok 6473
191: ok 6474
191: ok 6475
191: ok 6476
191: ok 6477
191: ok 6478
191: ok 6479
191: ok 6480
191: ok 6481
191: ok 6482
191: ok 6483
191: ok 6484
191: ok 6485
191: ok 6486
191: ok 6487
191: ok 6488
191: ok 6489
191: ok 6490
191: ok 6491
191: ok 6492
191: ok 6493
191: ok 6494
191: ok 6495
191: ok 6496
191: ok 6497
191: ok 6498
191: ok 6499
191: ok 6500
191: ok 6501
191: ok 6502
191: ok 6503
191: ok 6504
191: ok 6505
191: ok 6506
191: ok 6507
191: ok 6508
191: ok 6509
191: ok 6510
191: ok 6511
191: ok 6512
191: ok 6513
191: ok 6514
191: ok 6515
191: ok 6516
191: ok 6517
191: ok 6518
191: ok 6519
191: ok 6520
191: ok 6521
191: ok 6522
191: ok 6523
191: ok 6524
191: ok 6525
191: ok 6526
191: ok 6527
191: ok 6528
191: ok 6529
191: ok 6530
191: ok 6531
191: ok 6532
191: ok 6533
191: ok 6534
191: ok 6535
191: ok 6536
191: ok 6537
191: ok 6538
191: ok 6539
191: ok 6540
191: ok 6541
191: ok 6542
191: ok 6543
191: ok 6544
191: ok 6545
191: ok 6546
191: ok 6547
191: ok 6548
191: ok 6549
191: ok 6550
191: ok 6551
191: ok 6552
191: ok 6553
191: ok 6554
191: ok 6555
191: ok 6556
191: ok 6557
191: ok 6558
191: ok 6559
191: ok 6560
191: ok 6561
191: ok 6562
191: ok 6563
191: ok 6564
191: ok 6565
191: ok 6566
191: ok 6567
191: ok 6568
191: ok 6569
191: ok 6570
191: ok 6571
191: ok 6572
191: ok 6573
191: ok 6574
191: ok 6575
191: ok 6576
191: ok 6577
191: ok 6578
191: ok 6579
191: ok 6580
191: ok 6581
191: ok 6582
191: ok 6583
191: ok 6584
191: ok 6585
191: ok 6586
191: ok 6587
191: ok 6588
191: ok 6589
191: ok 6590
191: ok 6591
191: ok 6592
191: ok 6593
191: ok 6594
191: ok 6595
191: ok 6596
191: ok 6597
191: ok 6598
191: ok 6599
191: ok 6600
191: ok 6601
191: ok 6602
191: ok 6603
191: ok 6604
191: ok 6605
191: ok 6606
191: ok 6607
191: ok 6608
191: ok 6609
191: ok 6610
191: ok 6611
191: ok 6612
191: ok 6613
191: ok 6614
191: ok 6615
191: ok 6616
191: ok 6617
191: ok 6618
191: ok 6619
191: ok 6620
191: ok 6621
191: ok 6622
191: ok 6623
191: ok 6624
191: ok 6625
191: ok 6626
191: ok 6627
191: ok 6628
191: ok 6629
191: ok 6630
191: ok 6631
191: ok 6632
191: ok 6633
191: ok 6634
191: ok 6635
191: ok 6636
191: ok 6637
191: ok 6638
191: ok 6639
191: ok 6640
191: ok 6641
191: ok 6642
191: ok 6643
191: ok 6644
191: ok 6645
191: ok 6646
191: ok 6647
191: ok 6648
191: ok 6649
191: ok 6650
191: ok 6651
191: ok 6652
191: ok 6653
191: ok 6654
191: ok 6655
191: ok 6656
191: ok 6657
191: ok 6658
191: ok 6659
191: ok 6660
191: ok 6661
191: ok 6662
191: ok 6663
191: ok 6664
191: ok 6665
191: ok 6666
191: ok 6667
191: ok 6668
191: ok 6669
191: ok 6670
191: ok 6671
191: ok 6672
191: ok 6673
191: ok 6674
191: ok 6675
191: ok 6676
191: ok 6677
191: ok 6678
191: ok 6679
191: ok 6680
191: ok 6681
191: ok 6682
191: ok 6683
191: ok 6684
191: ok 6685
191: ok 6686
191: ok 6687
191: ok 6688
191: ok 6689
191: ok 6690
191: ok 6691
191: ok 6692
191: ok 6693
191: ok 6694
191: ok 6695
191: ok 6696
191: ok 6697
191: ok 6698
191: ok 6699
191: ok 6700
191: ok 6701
191: ok 6702
191: ok 6703
191: ok 6704
191: ok 6705
191: ok 6706
191: ok 6707
191: ok 6708
191: ok 6709
191: ok 6710
191: ok 6711
191: ok 6712
191: ok 6713
191: ok 6714
191: ok 6715
191: ok 6716
191: ok 6717
191: ok 6718
191: ok 6719
191: ok 6720
191: ok 6721
191: ok 6722
191: ok 6723
191: ok 6724
191: ok 6725
191: ok 6726
191: ok 6727
191: ok 6728
191: ok 6729
191: ok 6730
191: ok 6731
191: ok 6732
191: ok 6733
191: ok 6734
191: ok 6735
191: ok 6736
191: ok 6737
191: ok 6738
191: ok 6739
191: ok 6740
191: ok 6741
191: ok 6742
191: ok 6743
191: ok 6744
191: ok 6745
191: ok 6746
191: ok 6747
191: ok 6748
191: ok 6749
191: ok 6750
191: ok 6751
191: ok 6752
191: ok 6753
191: ok 6754
191: ok 6755
191: ok 6756
191: ok 6757
191: ok 6758
191: ok 6759
191: ok 6760
191: ok 6761
191: ok 6762
191: ok 6763
191: ok 6764
191: ok 6765
191: ok 6766
191: ok 6767
191: ok 6768
191: ok 6769
191: ok 6770
191: ok 6771
191: ok 6772
191: ok 6773
191: ok 6774
191: ok 6775
191: ok 6776
191: ok 6777
191: ok 6778
191: ok 6779
191: ok 6780
191: ok 6781
191: ok 6782
191: ok 6783
191: ok 6784
191: ok 6785
191: ok 6786
191: ok 6787
191: ok 6788
191: ok 6789
191: ok 6790
191: ok 6791
191: ok 6792
191: ok 6793
191: ok 6794
191: ok 6795
191: ok 6796
191: ok 6797
191: ok 6798
191: ok 6799
191: ok 6800
191: ok 6801
191: ok 6802
191: ok 6803
191: ok 6804
191: ok 6805
191: ok 6806
191: ok 6807
191: ok 6808
191: ok 6809
191: ok 6810
191: ok 6811
191: ok 6812
191: ok 6813
191: ok 6814
191: ok 6815
191: ok 6816
191: ok 6817
191: ok 6818
191: ok 6819
191: ok 6820
191: ok 6821
191: ok 6822
191: ok 6823
191: ok 6824
191: ok 6825
191: ok 6826
191: ok 6827
191: ok 6828
191: ok 6829
191: ok 6830
191: ok 6831
191: ok 6832
191: ok 6833
191: ok 6834
191: ok 6835
191: ok 6836
191: ok 6837
191: ok 6838
191: ok 6839
191: ok 6840
191: ok 6841
191: ok 6842
191: ok 6843
191: ok 6844
191: ok 6845
191: ok 6846
191: ok 6847
191: ok 6848
191: ok 6849
191: ok 6850
191: ok 6851
191: ok 6852
191: ok 6853
191: ok 6854
191: ok 6855
191: ok 6856
191: ok 6857
191: ok 6858
191: ok 6859
191: ok 6860
191: ok 6861
191: ok 6862
191: ok 6863
191: ok 6864
191: ok 6865
191: ok 6866
191: ok 6867
191: ok 6868
191: ok 6869
191: ok 6870
191: ok 6871
191: ok 6872
191: ok 6873
191: ok 6874
191: ok 6875
191: ok 6876
191: ok 6877
191: ok 6878
191: ok 6879
191: ok 6880
191: ok 6881
191: ok 6882
191: ok 6883
191: ok 6884
191: ok 6885
191: ok 6886
191: ok 6887
191: ok 6888
191: ok 6889
191: ok 6890
191: ok 6891
191: ok 6892
191: ok 6893
191: ok 6894
191: ok 6895
191: ok 6896
191: ok 6897
191: ok 6898
191: ok 6899
191: ok 6900
191: ok 6901
191: ok 6902
191: ok 6903
191: ok 6904
191: ok 6905
191: ok 6906
191: ok 6907
191: ok 6908
191: ok 6909
191: ok 6910
191: ok 6911
191: ok 6912
191: ok 6913
191: ok 6914
191: ok 6915
191: ok 6916
191: ok 6917
191: ok 6918
191: ok 6919
191: ok 6920
191: ok 6921
191: ok 6922
191: ok 6923
191: ok 6924
191: ok 6925
191: ok 6926
191: ok 6927
191: ok 6928
191: ok 6929
191: ok 6930
191: ok 6931
191: ok 6932
191: ok 6933
191: ok 6934
191: ok 6935
191: ok 6936
191: ok 6937
191: ok 6938
191: ok 6939
191: ok 6940
191: ok 6941
191: ok 6942
191: ok 6943
191: ok 6944
191: ok 6945
191: ok 6946
191: ok 6947
191: ok 6948
191: ok 6949
191: ok 6950
191: ok 6951
191: ok 6952
191: ok 6953
191: ok 6954
191: ok 6955
191: ok 6956
191: ok 6957
191: ok 6958
191: ok 6959
191: ok 6960
191: ok 6961
191: ok 6962
191: ok 6963
191: ok 6964
191: ok 6965
191: ok 6966
191: ok 6967
191: ok 6968
191: ok 6969
191: ok 6970
191: ok 6971
191: ok 6972
191: ok 6973
191: ok 6974
191: ok 6975
191: ok 6976
191: ok 6977
191: ok 6978
191: ok 6979
191: ok 6980
191: ok 6981
191: ok 6982
191: ok 6983
191: ok 6984
191: ok 6985
191: ok 6986
191: ok 6987
191: ok 6988
191: ok 6989
191: ok 6990
191: ok 6991
191: ok 6992
191: ok 6993
191: ok 6994
191: ok 6995
191: ok 6996
191: ok 6997
191: ok 6998
191: ok 6999
191: ok 7000
191: ok 7001
191: ok 7002
191: ok 7003
191: ok 7004
191: ok 7005
191: ok 7006
191: ok 7007
191: ok 7008
191: ok 7009
191: ok 7010
191: ok 7011
191: ok 7012
191: ok 7013
191: ok 7014
191: ok 7015
191: ok 7016
191: ok 7017
191: ok 7018
191: ok 7019
191: ok 7020
191: ok 7021
191: ok 7022
191: ok 7023
191: ok 7024
191: ok 7025
191: ok 7026
191: ok 7027
191: ok 7028
191: ok 7029
191: ok 7030
191: ok 7031
191: ok 7032
191: ok 7033
191: ok 7034
191: ok 7035
191: ok 7036
191: ok 7037
191: ok 7038
191: ok 7039
191: ok 7040
191: ok 7041
191: ok 7042
191: ok 7043
191: ok 7044
191: ok 7045
191: ok 7046
191: ok 7047
191: ok 7048
191: ok 7049
191: ok 7050
191: ok 7051
191: ok 7052
191: ok 7053
191: ok 7054
191: ok 7055
191: ok 7056
191: ok 7057
191: ok 7058
191: ok 7059
191: ok 7060
191: ok 7061
191: ok 7062
191: ok 7063
191: ok 7064
191: ok 7065
191: ok 7066
191: ok 7067
191: ok 7068
191: ok 7069
191: ok 7070
191: ok 7071
191: ok 7072
191: ok 7073
191: ok 7074
191: ok 7075
191: ok 7076
191: ok 7077
191: ok 7078
191: ok 7079
191: ok 7080
191: ok 7081
191: ok 7082
191: ok 7083
191: ok 7084
191: ok 7085
191: ok 7086
191: ok 7087
191: ok 7088
191: ok 7089
191: ok 7090
191: ok 7091
191: ok 7092
191: ok 7093
191: ok 7094
191: ok 7095
191: ok 7096
191: ok 7097
191: ok 7098
191: ok 7099
191: ok 7100
191: ok 7101
191: ok 7102
191: ok 7103
191: ok 7104
191: ok 7105
191: ok 7106
191: ok 7107
191: ok 7108
191: ok 7109
191: ok 7110
191: ok 7111
191: ok 7112
191: ok 7113
191: ok 7114
191: ok 7115
191: ok 7116
191: ok 7117
191: ok 7118
191: ok 7119
191: ok 7120
191: ok 7121
191: ok 7122
191: ok 7123
191: ok 7124
191: ok 7125
191: ok 7126
191: ok 7127
191: ok 7128
191: ok 7129
191: ok 7130
191: ok 7131
191: ok 7132
191: ok 7133
191: ok 7134
191: ok 7135
191: ok 7136
191: ok 7137
191: ok 7138
191: ok 7139
191: ok 7140
191: ok 7141
191: ok 7142
191: ok 7143
191: ok 7144
191: ok 7145
191: ok 7146
191: ok 7147
191: ok 7148
191: ok 7149
191: ok 7150
191: ok 7151
191: ok 7152
191: ok 7153
191: ok 7154
191: ok 7155
191: ok 7156
191: ok 7157
191: ok 7158
191: ok 7159
191: ok 7160
191: ok 7161
191: ok 7162
191: ok 7163
191: ok 7164
191: ok 7165
191: ok 7166
191: ok 7167
191: ok 7168
191: ok 7169
191: ok 7170
191: ok 7171
191: ok 7172
191: ok 7173
191: ok 7174
191: ok 7175
191: ok 7176
191: ok 7177
191: ok 7178
191: ok 7179
191: ok 7180
191: ok 7181
191: ok 7182
191: ok 7183
191: ok 7184
191: ok 7185
191: ok 7186
191: ok 7187
191: ok 7188
191: ok 7189
191: ok 7190
191: ok 7191
191: ok 7192
191: ok 7193
191: ok 7194
191: ok 7195
191: ok 7196
191: ok 7197
191: ok 7198
191: ok 7199
191: ok 7200
191: ok 7201
191: ok 7202
191: ok 7203
191: ok 7204
191: ok 7205
191: ok 7206
191: ok 7207
191: ok 7208
191: ok 7209
191: ok 7210
191: ok 7211
191: ok 7212
191: ok 7213
191: ok 7214
191: ok 7215
191: ok 7216
191: ok 7217
191: ok 7218
191: ok 7219
191: ok 7220
191: ok 7221
191: ok 7222
191: ok 7223
191: ok 7224
191: ok 7225
191: ok 7226
191: ok 7227
191: ok 7228
191: ok 7229
191: ok 7230
191: ok 7231
191: ok 7232
191: ok 7233
191: ok 7234
191: ok 7235
191: ok 7236
191: ok 7237
191: ok 7238
191: ok 7239
191: ok 7240
191: ok 7241
191: ok 7242
191: ok 7243
191: ok 7244
191: ok 7245
191: ok 7246
191: ok 7247
191: ok 7248
191: ok 7249
191: ok 7250
191: ok 7251
191: ok 7252
191: ok 7253
191: ok 7254
191: ok 7255
191: ok 7256
191: ok 7257
191: ok 7258
191: ok 7259
191: ok 7260
191: ok 7261
191: ok 7262
191: ok 7263
191: ok 7264
191: ok 7265
191: ok 7266
191: ok 7267
191: ok 7268
191: ok 7269
191: ok 7270
191: ok 7271
191: ok 7272
191: ok 7273
191: ok 7274
191: ok 7275
191: ok 7276
191: ok 7277
191: ok 7278
191: ok 7279
191: ok 7280
191: ok 7281
191: ok 7282
191: ok 7283
191: ok 7284
191: ok 7285
191: ok 7286
191: ok 7287
191: ok 7288
191: ok 7289
191: ok 7290
191: ok 7291
191: ok 7292
191: ok 7293
191: ok 7294
191: ok 7295
191: ok 7296
191: ok 7297
191: ok 7298
191: ok 7299
191: ok 7300
191: ok 7301
191: ok 7302
191: ok 7303
191: ok 7304
191: ok 7305
191: ok 7306
191: ok 7307
191: ok 7308
191: ok 7309
191: ok 7310
191: ok 7311
191: ok 7312
191: ok 7313
191: ok 7314
191: ok 7315
191: ok 7316
191: ok 7317
191: ok 7318
191: ok 7319
191: ok 7320
191: ok 7321
191: ok 7322
191: ok 7323
191: ok 7324
191: ok 7325
191: ok 7326
191: ok 7327
191: ok 7328
191: ok 7329
191: ok 7330
191: ok 7331
191: ok 7332
191: ok 7333
191: ok 7334
191: ok 7335
191: ok 7336
191: ok 7337
191: ok 7338
191: ok 7339
191: ok 7340
191: ok 7341
191: ok 7342
191: ok 7343
191: ok 7344
191: ok 7345
191: ok 7346
191: ok 7347
191: ok 7348
191: ok 7349
191: ok 7350
191: ok 7351
191: ok 7352
191: ok 7353
191: ok 7354
191: ok 7355
191: ok 7356
191: ok 7357
191: ok 7358
191: ok 7359
191: ok 7360
191: ok 7361
191: ok 7362
191: ok 7363
191: ok 7364
191: ok 7365
191: ok 7366
191: ok 7367
191: ok 7368
191: ok 7369
191: ok 7370
191: ok 7371
191: ok 7372
191: ok 7373
191: ok 7374
191: ok 7375
191: ok 7376
191: ok 7377
191: ok 7378
191: ok 7379
191: ok 7380
191: ok 7381
191: ok 7382
191: ok 7383
191: ok 7384
191: ok 7385
191: ok 7386
191: ok 7387
191: ok 7388
191: ok 7389
191: ok 7390
191: ok 7391
191: ok 7392
191: ok 7393
191: ok 7394
191: ok 7395
191: ok 7396
191: ok 7397
191: ok 7398
191: ok 7399
191: ok 7400
191: ok 7401
191: ok 7402
191: ok 7403
191: ok 7404
191: ok 7405
191: ok 7406
191: ok 7407
191: ok 7408
191: ok 7409
191: ok 7410
191: ok 7411
191: ok 7412
191: ok 7413
191: ok 7414
191: ok 7415
191: ok 7416
191: ok 7417
191: ok 7418
191: ok 7419
191: ok 7420
191: ok 7421
191: ok 7422
191: ok 7423
191: ok 7424
191: ok 7425
191: ok 7426
191: ok 7427
191: ok 7428
191: ok 7429
191: ok 7430
191: ok 7431
191: ok 7432
191: ok 7433
191: ok 7434
191: ok 7435
191: ok 7436
191: ok 7437
191: ok 7438
191: ok 7439
191: ok 7440
191: ok 7441
191: ok 7442
191: ok 7443
191: ok 7444
191: ok 7445
191: ok 7446
191: ok 7447
191: ok 7448
191: ok 7449
191: ok 7450
191: ok 7451
191: ok 7452
191: ok 7453
191: ok 7454
191: ok 7455
191: ok 7456
191: ok 7457
191: ok 7458
191: ok 7459
191: ok 7460
191: ok 7461
191: ok 7462
191: ok 7463
191: ok 7464
191: ok 7465
191: ok 7466
191: ok 7467
191: ok 7468
191: ok 7469
191: ok 7470
191: ok 7471
191: ok 7472
191: ok 7473
191: ok 7474
191: ok 7475
191: ok 7476
191: ok 7477
191: ok 7478
191: ok 7479
191: ok 7480
191: ok 7481
191: ok 7482
191: ok 7483
191: ok 7484
191: ok 7485
191: ok 7486
191: ok 7487
191: ok 7488
191: ok 7489
191: ok 7490
191: ok 7491
191: ok 7492
191: ok 7493
191: ok 7494
191: ok 7495
191: ok 7496
191: ok 7497
191: ok 7498
191: ok 7499
191: ok 7500
191: ok 7501
191: ok 7502
191: ok 7503
191: ok 7504
191: ok 7505
191: ok 7506
191: ok 7507
191: ok 7508
191: ok 7509
191: ok 7510
191: ok 7511
191: ok 7512
191: ok 7513
191: ok 7514
191: ok 7515
191: ok 7516
191: ok 7517
191: ok 7518
191: ok 7519
191: ok 7520
191: ok 7521
191: ok 7522
191: ok 7523
191: ok 7524
191: ok 7525
191: ok 7526
191: ok 7527
191: ok 7528
191: ok 7529
191: ok 7530
191: ok 7531
191: ok 7532
191: ok 7533
191: ok 7534
191: ok 7535
191: ok 7536
191: ok 7537
191: ok 7538
191: ok 7539
191: ok 7540
191: ok 7541
191: ok 7542
191: ok 7543
191: ok 7544
191: ok 7545
191: ok 7546
191: ok 7547
191: ok 7548
191: ok 7549
191: ok 7550
191: ok 7551
191: ok 7552
191: ok 7553
191: ok 7554
191: ok 7555
191: ok 7556
191: ok 7557
191: ok 7558
191: ok 7559
191: ok 7560
191: ok 7561
191: ok 7562
191: ok 7563
191: ok 7564
191: ok 7565
191: ok 7566
191: ok 7567
191: ok 7568
191: ok 7569
191: ok 7570
191: ok 7571
191: ok 7572
191: ok 7573
191: ok 7574
191: ok 7575
191: ok 7576
191: ok 7577
191: ok 7578
191: ok 7579
191: ok 7580
191: ok 7581
191: ok 7582
191: ok 7583
191: ok 7584
191: ok 7585
191: ok 7586
191: ok 7587
191: ok 7588
191: ok 7589
191: ok 7590
191: ok 7591
191: ok 7592
191: ok 7593
191: ok 7594
191: ok 7595
191: ok 7596
191: ok 7597
191: ok 7598
191: ok 7599
191: ok 7600
191: ok 7601
191: ok 7602
191: ok 7603
191: ok 7604
191: ok 7605
191: ok 7606
191: ok 7607
191: ok 7608
191: ok 7609
191: ok 7610
191: ok 7611
191: ok 7612
191: ok 7613
191: ok 7614
191: ok 7615
191: ok 7616
191: ok 7617
191: ok 7618
191: ok 7619
191: ok 7620
191: ok 7621
191: ok 7622
191: ok 7623
191: ok 7624
191: ok 7625
191: ok 7626
191: ok 7627
191: ok 7628
191: ok 7629
191: ok 7630
191: ok 7631
191: ok 7632
191: ok 7633
191: ok 7634
191: ok 7635
191: ok 7636
191: ok 7637
191: ok 7638
191: ok 7639
191: ok 7640
191: ok 7641
191: ok 7642
191: ok 7643
191: ok 7644
191: ok 7645
191: ok 7646
191: ok 7647
191: ok 7648
191: ok 7649
191: ok 7650
191: ok 7651
191: ok 7652
191: ok 7653
191: ok 7654
191: ok 7655
191: ok 7656
191: ok 7657
191: ok 7658
191: ok 7659
191: ok 7660
191: ok 7661
191: ok 7662
191: ok 7663
191: ok 7664
191: ok 7665
191: ok 7666
191: ok 7667
191: ok 7668
191: ok 7669
191: ok 7670
191: ok 7671
191: ok 7672
191: ok 7673
191: ok 7674
191: ok 7675
191: ok 7676
191: ok 7677
191: ok 7678
191: ok 7679
191: ok 7680
191: ok 7681
191: ok 7682
191: ok 7683
191: ok 7684
191: ok 7685
191: ok 7686
191: ok 7687
191: ok 7688
191: ok 7689
191: ok 7690
191: ok 7691
191: ok 7692
191: ok 7693
191: ok 7694
191: ok 7695
191: ok 7696
191: ok 7697
191: ok 7698
191: ok 7699
191: ok 7700
191: ok 7701
191: ok 7702
191: ok 7703
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190: ok 19097
190: ok 19098
190: ok 19099
190: ok 19100
190: ok 19101
190: ok 19102
190: ok 19103
190: ok 19104
190: ok 19105
190: ok 19106
190: ok 19107
190: ok 19108
190: ok 19109
190: ok 19110
190: ok 19111
190: ok 19112
190: ok 19113
190: ok 19114
190: ok 19115
190: ok 19116
190: ok 19117
190: ok 19118
190: ok 19119
190: ok 19120
190: ok 19121
190: ok 19122
190: ok 19123
190: ok 19124
190: ok 19125
190: ok 19126
190: ok 19127
190: ok 19128
190: ok 19129
190: ok 19130
190: ok 19131
190: ok 19132
190: ok 19133
190: ok 19134
190: ok 19135
190: ok 19136
190: ok 19137
190: ok 19138
190: ok 19139
190: ok 19140
190: ok 19141
190: ok 19142
190: ok 19143
190: ok 19144
190: ok 19145
190: ok 19146
190: ok 19147
190: ok 19148
190: ok 19149
190: ok 19150
190: ok 19151
190: ok 19152
190: ok 19153
190: ok 19154
190: ok 19155
190: ok 19156
190: ok 19157
190: ok 19158
190: ok 19159
190: ok 19160
190: ok 19161
190: ok 19162
190: ok 19163
190: ok 19164
190: ok 19165
190: ok 19166
190: ok 19167
190: ok 19168
190: ok 19169
190: ok 19170
190: ok 19171
190: ok 19172
190: ok 19173
190: ok 19174
190: ok 19175
190: ok 19176
190: ok 19177
190: ok 19178
190: ok 19179
190: ok 19180
190: ok 19181
190: ok 19182
190: ok 19183
190: ok 19184
190: ok 19185
190: ok 19186
190: ok 19187
190: ok 19188
190: ok 19189
190: ok 19190
190: ok 19191
190: ok 19192
190: ok 19193
190: ok 19194
190: ok 19195
190: ok 19196
190: ok 19197
190: ok 19198
190: ok 19199
190: ok 19200
190: ok 19201
190: ok 19202
190: ok 19203
190: ok 19204
190: ok 19205
190: ok 19206
190: ok 19207
190: ok 19208
190: ok 19209
190: ok 19210
190: ok 19211
190: ok 19212
190: ok 19213
190: ok 19214
190: ok 19215
190: ok 19216
190: ok 19217
190: ok 19218
190: ok 19219
190: ok 19220
190: ok 19221
190: ok 19222
190: ok 19223
190: ok 19224
190: ok 19225
190: ok 19226
190: ok 19227
190: ok 19228
190: ok 19229
190: ok 19230
190: ok 19231
190: ok 19232
190: ok 19233
190: ok 19234
190: ok 19235
190: ok 19236
190: ok 19237
190: ok 19238
190: ok 19239
190: ok 19240
190: ok 19241
190: ok 19242
190: ok 19243
190: ok 19244
190: ok 19245
190: ok 19246
190: ok 19247
190: ok 19248
190: ok 19249
190: ok 19250
190: ok 19251
190: ok 19252
190: ok 19253
190: ok 19254
190: ok 19255
190: ok 19256
190: ok 19257
190: ok 19258
190: ok 19259
190: ok 19260
190: ok 19261
190: ok 19262
190: ok 19263
190: ok 19264
190: ok 19265
190: ok 19266
190: ok 19267
190: ok 19268
190: ok 19269
190: ok 19270
190: ok 19271
190: ok 19272
190: ok 19273
190: ok 19274
190: ok 19275
190: ok 19276
190: ok 19277
190: ok 19278
190: ok 19279
190: ok 19280
190: ok 19281
190: ok 19282
190: ok 19283
190: ok 19284
190: ok 19285
190: ok 19286
190: ok 19287
190: ok 19288
190: ok 19289
190: ok 19290
190: ok 19291
190: ok 19292
190: ok 19293
190: ok 19294
190: ok 19295
190: ok 19296
190: ok 19297
190: ok 19298
190: ok 19299
190: ok 19300
190: ok 19301
190: ok 19302
190: ok 19303
190: ok 19304
190: ok 19305
190: ok 19306
190: ok 19307
190: ok 19308
190: ok 19309
190: ok 19310
190: ok 19311
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190: ok 19313
190: ok 19314
190: ok 19315
190: ok 19316
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190: ok 19319
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190: ok 19323
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190: ok 19326
190: ok 19327
190: ok 19328
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190: ok 19331
190: ok 19332
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190: ok 19334
190: ok 19335
190: ok 19336
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190: ok 19339
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190: ok 19343
190: ok 19344
190: ok 19345
190: ok 19346
190: ok 19347
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190: ok 19350
190: ok 19351
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190: ok 19353
190: ok 19354
190: ok 19355
190: ok 19356
190: ok 19357
190: ok 19358
190: ok 19359
190: ok 19360
190: ok 19361
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190: ok 19363
190: ok 19364
190: ok 19365
190: ok 19366
190: ok 19367
190: ok 19368
190: ok 19369
190: ok 19370
190: ok 19371
190: ok 19372
190: ok 19373
190: ok 19374
190: ok 19375
190: ok 19376
190: ok 19377
190: ok 19378
190: ok 19379
190: ok 19380
190: ok 19381
190: ok 19382
190: ok 19383
190: ok 19384
190: ok 19385
190: ok 19386
190: ok 19387
190: ok 19388
190: ok 19389
190: ok 19390
190: ok 19391
190: ok 19392
190: ok 19393
190: ok 19394
190: ok 19395
190: ok 19396
190: ok 19397
190: ok 19398
190: ok 19399
190: ok 19400
190: ok 19401
190: ok 19402
190: ok 19403
190: ok 19404
190: ok 19405
190: ok 19406
190: ok 19407
190: ok 19408
190: ok 19409
190: ok 19410
190: ok 19411
190: ok 19412
190: ok 19413
190: ok 19414
190: ok 19415
190: ok 19416
190: ok 19417
190: ok 19418
190: ok 19419
190: ok 19420
190: ok 19421
190: ok 19422
190: ok 19423
190: ok 19424
190: ok 19425
190: ok 19426
190: ok 19427
190: ok 19428
190: ok 19429
190: ok 19430
190: ok 19431
190: ok 19432
190: ok 19433
190: ok 19434
190: ok 19435
190: ok 19436
190: ok 19437
190: ok 19438
190: ok 19439
190: ok 19440
190: ok 19441
190: ok 19442
190: ok 19443
190: ok 19444
190: ok 19445
190: ok 19446
190: ok 19447
190: ok 19448
190: ok 19449
190: ok 19450
190: ok 19451
190: ok 19452
190: ok 19453
190: ok 19454
190: ok 19455
190: ok 19456
190: ok 19457
190: ok 19458
190: ok 19459
190: ok 19460
190: ok 19461
190: ok 19462
190: ok 19463
190: ok 19464
190: ok 19465
190: ok 19466
190: ok 19467
190: ok 19468
190: ok 19469
190: ok 19470
190: ok 19471
190: ok 19472
190: ok 19473
190: ok 19474
190: ok 19475
190: ok 19476
190: ok 19477
190: ok 19478
190: ok 19479
190: ok 19480
190: ok 19481
190: ok 19482
190: ok 19483
190: ok 19484
190: ok 19485
190: ok 19486
190: ok 19487
190: ok 19488
190: ok 19489
190: ok 19490
190: ok 19491
190: ok 19492
190: ok 19493
190: ok 19494
190: ok 19495
190: ok 19496
190: ok 19497
190: ok 19498
190: ok 19499
190: ok 19500
190: ok 19501
190: ok 19502
190: ok 19503
190: ok 19504
190: ok 19505
190: ok 19506
190: ok 19507
190: ok 19508
190: ok 19509
190: ok 19510
190: ok 19511
190: ok 19512
190: ok 19513
190: ok 19514
190: ok 19515
190: ok 19516
190: ok 19517
190: ok 19518
190: ok 19519
190: ok 19520
190: ok 19521
190: ok 19522
190: ok 19523
190: ok 19524
190: ok 19525
190: ok 19526
190: ok 19527
190: ok 19528
190: ok 19529
190: ok 19530
190: ok 19531
190: ok 19532
190: ok 19533
190: ok 19534
190: ok 19535
190: ok 19536
190: ok 19537
190: ok 19538
190: ok 19539
190: ok 19540
190: ok 19541
190: ok 19542
190: ok 19543
190: ok 19544
190: ok 19545
190: ok 19546
190: ok 19547
190: ok 19548
190: ok 19549
190: ok 19550
190: ok 19551
190: ok 19552
190: ok 19553
190: ok 19554
190: ok 19555
190: ok 19556
190: ok 19557
190: ok 19558
190: ok 19559
190: ok 19560
190: ok 19561
190: ok 19562
190: ok 19563
190: ok 19564
190: ok 19565
190: ok 19566
190: ok 19567
190: ok 19568
190: ok 19569
190: ok 19570
190: ok 19571
190: ok 19572
190: ok 19573
190: ok 19574
190: ok 19575
190: ok 19576
190: ok 19577
190: ok 19578
190: ok 19579
190: ok 19580
190: ok 19581
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190: ok 19583
190: ok 19584
190: ok 19585
190: ok 19586
190: ok 19587
190: ok 19588
190: ok 19589
190: ok 19590
190: ok 19591
190: ok 19592
190: ok 19593
190: ok 19594
190: ok 19595
190: ok 19596
190: ok 19597
190: ok 19598
190: ok 19599
190: ok 19600
190: ok 19601
190: ok 19602
190: ok 19603
190: ok 19604
190: ok 19605
190: ok 19606
190: ok 19607
190: ok 19608
190: ok 19609
190: ok 19610
190: ok 19611
190: ok 19612
190: ok 19613
190: ok 19614
190: ok 19615
190: ok 19616
190: ok 19617
190: ok 19618
190: ok 19619
190: ok 19620
190: ok 19621
190: ok 19622
190: ok 19623
190: ok 19624
190: ok 19625
190: ok 19626
190: ok 19627
190: ok 19628
190: ok 19629
190: ok 19630
190: ok 19631
190: ok 19632
190: ok 19633
190: ok 19634
190: ok 19635
190: ok 19636
190: ok 19637
190: ok 19638
190: ok 19639
190: ok 19640
190: ok 19641
190: ok 19642
190: ok 19643
190: ok 19644
190: ok 19645
190: ok 19646
190: ok 19647
190: ok 19648
190: ok 19649
190: ok 19650
190: ok 19651
190: ok 19652
190: ok 19653
190: ok 19654
190: ok 19655
190: ok 19656
190: ok 19657
190: ok 19658
190: ok 19659
190: ok 19660
190: ok 19661
190: ok 19662
190: ok 19663
190: ok 19664
190: ok 19665
190: ok 19666
190: ok 19667
190: ok 19668
190: ok 19669
190: ok 19670
190: ok 19671
190: ok 19672
190: ok 19673
190: ok 19674
190: ok 19675
190: ok 19676
190: ok 19677
190: ok 19678
190: ok 19679
190: ok 19680
190: ok 19681
190: ok 19682
190: ok 19683
190: ok 19684
190: ok 19685
190: ok 19686
190: ok 19687
190: ok 19688
190: ok 19689
190: ok 19690
190: ok 19691
190: ok 19692
190: ok 19693
190: ok 19694
190: ok 19695
190: ok 19696
190: ok 19697
190: ok 19698
190: ok 19699
190: ok 19700
190: ok 19701
190: ok 19702
190: ok 19703
190: ok 19704
190: ok 19705
190: ok 19706
190: ok 19707
190: ok 19708
190: ok 19709
190: ok 19710
190: ok 19711
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190: ok 19713
190: ok 19714
190: ok 19715
190: ok 19716
190: ok 19717
190: ok 19718
190: ok 19719
190: ok 19720
190: ok 19721
190: ok 19722
190: ok 19723
190: ok 19724
190: ok 19725
190: ok 19726
190: ok 19727
190: ok 19728
190: ok 19729
190: ok 19730
190: ok 19731
190: ok 19732
190: ok 19733
190: ok 19734
190: ok 19735
190: ok 19736
190: ok 19737
190: ok 19738
190: ok 19739
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190: ok 19741
190: ok 19742
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190: ok 19744
190: ok 19745
190: ok 19746
190: ok 19747
190: ok 19748
190: ok 19749
190: ok 19750
190: ok 19751
190: ok 19752
190: ok 19753
190: ok 19754
190: ok 19755
190: ok 19756
190: ok 19757
190: ok 19758
190: ok 19759
190: ok 19760
190: ok 19761
190: ok 19762
190: ok 19763
190: ok 19764
190: ok 19765
190: ok 19766
190: ok 19767
190: ok 19768
190: ok 19769
190: ok 19770
190: ok 19771
190: ok 19772
190: ok 19773
190: ok 19774
190: ok 19775
190: ok 19776
190: ok 19777
190: ok 19778
190: ok 19779
190: ok 19780
190: ok 19781
190: ok 19782
190: ok 19783
190: ok 19784
190: ok 19785
190: ok 19786
190: ok 19787
190: ok 19788
190: ok 19789
190: ok 19790
190: ok 19791
190: ok 19792
190: ok 19793
190: ok 19794
190: ok 19795
190: ok 19796
190: ok 19797
190: ok 19798
190: ok 19799
190: ok 19800
190: ok 19801
190: ok 19802
190: ok 19803
190: ok 19804
190: ok 19805
190: ok 19806
190: ok 19807
190: ok 19808
190: ok 19809
190: ok 19810
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190: ok 19814
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190: ok 19816
190: ok 19817
190: ok 19818
190: ok 19819
190: ok 19820
190: ok 19821
190: ok 19822
190: ok 19823
190: ok 19824
190: ok 19825
190: ok 19826
190: ok 19827
190: ok 19828
190: ok 19829
190: ok 19830
190: ok 19831
190: ok 19832
190: ok 19833
190: ok 19834
190: ok 19835
190: ok 19836
190: ok 19837
190: ok 19838
190: ok 19839
190: ok 19840
190: ok 19841
190: ok 19842
190: ok 19843
190: ok 19844
190: ok 19845
190: ok 19846
190: ok 19847
190: ok 19848
190: ok 19849
190: ok 19850
190: ok 19851
190: ok 19852
190: ok 19853
190: ok 19854
190: ok 19855
190: ok 19856
190: ok 19857
190: ok 19858
190: ok 19859
190: ok 19860
190: ok 19861
190: ok 19862
190: ok 19863
190: ok 19864
190: ok 19865
190: ok 19866
190: ok 19867
190: ok 19868
190: ok 19869
190: ok 19870
190: ok 19871
190: ok 19872
190: ok 19873
190: ok 19874
190: ok 19875
190: ok 19876
190: ok 19877
190: ok 19878
190: ok 19879
190: ok 19880
190: ok 19881
190: ok 19882
190: ok 19883
190: ok 19884
190: ok 19885
190: ok 19886
190: ok 19887
190: ok 19888
190: ok 19889
190: ok 19890
190: ok 19891
190: ok 19892
190: ok 19893
190: ok 19894
190: ok 19895
190: ok 19896
190: ok 19897
190: ok 19898
190: ok 19899
190: ok 19900
190: ok 19901
190: ok 19902
190: ok 19903
190: ok 19904
190: ok 19905
190: ok 19906
190: ok 19907
190: ok 19908
190: ok 19909
190: ok 19910
190: ok 19911
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190: ok 19913
190: ok 19914
190: ok 19915
190: ok 19916
190: ok 19917
190: ok 19918
190: ok 19919
190: ok 19920
190: ok 19921
190: ok 19922
190: ok 19923
190: ok 19924
190: ok 19925
190: ok 19926
190: ok 19927
190: ok 19928
190: ok 19929
190: ok 19930
190: ok 19931
190: ok 19932
190: ok 19933
190: ok 19934
190: ok 19935
190: ok 19936
190: ok 19937
190: ok 19938
190: ok 19939
190: ok 19940
190: ok 19941
190: ok 19942
190: ok 19943
190: ok 19944
190: ok 19945
190: ok 19946
190: ok 19947
190: ok 19948
190: ok 19949
190: ok 19950
190: ok 19951
190: ok 19952
190: ok 19953
190: ok 19954
190: ok 19955
190: ok 19956
190: ok 19957
190: ok 19958
190: ok 19959
190: ok 19960
190: ok 19961
190: ok 19962
190: ok 19963
190: ok 19964
190: ok 19965
190: ok 19966
190: ok 19967
190: ok 19968
190: ok 19969
190: ok 19970
190: ok 19971
190: ok 19972
190: ok 19973
190: ok 19974
190: ok 19975
190: ok 19976
190: ok 19977
190: ok 19978
190: ok 19979
190: ok 19980
190: ok 19981
190: ok 19982
190: ok 19983
190: ok 19984
190: ok 19985
190: ok 19986
190: ok 19987
190: ok 19988
190: ok 19989
190: ok 19990
190: ok 19991
190: ok 19992
190: ok 19993
190: ok 19994
190: ok 19995
190: ok 19996
190: ok 19997
190: ok 19998
190: ok 19999
190: ok 20000
190: ok 20001
190: ok 20002
190: ok 20003
190: ok 20004
190: ok 20005
190: ok 20006
190: ok 20007
190: ok 20008
190: ok 20009
190: ok 20010
190: ok 20011
190: ok 20012
190: ok 20013
190: ok 20014
190: ok 20015
190: ok 20016
190: ok 20017
190: ok 20018
190: ok 20019
190: ok 20020
190: ok 20021
190: ok 20022
190: ok 20023
190: ok 20024
190: ok 20025
190: ok 20026
190: ok 20027
190: ok 20028
190: ok 20029
190: ok 20030
190: ok 20031
190: ok 20032
190: ok 20033
190: ok 20034
190: ok 20035
190: ok 20036
190: ok 20037
190: ok 20038
190: ok 20039
190: ok 20040
190: ok 20041
190: ok 20042
190: ok 20043
190: ok 20044
190: ok 20045
190: ok 20046
190: ok 20047
190: ok 20048
190: ok 20049
190: ok 20050
190: ok 20051
190: ok 20052
190: ok 20053
190: ok 20054
190: ok 20055
190: ok 20056
190: ok 20057
190: ok 20058
190: ok 20059
190: ok 20060
190: ok 20061
190: ok 20062
190: ok 20063
190: ok 20064
190: ok 20065
190: ok 20066
190: ok 20067
190: ok 20068
190: ok 20069
190: ok 20070
190: ok 20071
190: ok 20072
190: ok 20073
190: ok 20074
190: ok 20075
190: ok 20076
190: ok 20077
190: ok 20078
190: ok 20079
190: ok 20080
190: ok 20081
190: ok 20082
190: ok 20083
190: ok 20084
190: ok 20085
190: ok 20086
190: ok 20087
190: ok 20088
190: ok 20089
190: ok 20090
190: ok 20091
190: ok 20092
190: ok 20093
190: ok 20094
190: ok 20095
190: ok 20096
190: ok 20097
190: ok 20098
190: ok 20099
190: ok 20100
190: ok 20101
190: ok 20102
190: ok 20103
190: ok 20104
190: ok 20105
190: ok 20106
190: ok 20107
190: ok 20108
190: ok 20109
190: ok 20110
190: ok 20111
190: ok 20112
190: ok 20113
190: ok 20114
190: ok 20115
190: ok 20116
190: ok 20117
190: ok 20118
190: ok 20119
190: ok 20120
190: ok 20121
190: ok 20122
190: ok 20123
190: ok 20124
190: ok 20125
190: ok 20126
190: ok 20127
190: ok 20128
190: ok 20129
190: ok 20130
190: ok 20131
190: ok 20132
190: ok 20133
190: ok 20134
190: ok 20135
190: ok 20136
190: ok 20137
190: ok 20138
190: ok 20139
190: ok 20140
190: ok 20141
190: ok 20142
190: ok 20143
190: ok 20144
190: ok 20145
190: ok 20146
190: ok 20147
190: ok 20148
190: ok 20149
190: ok 20150
190: ok 20151
190: ok 20152
190: ok 20153
190: ok 20154
190: ok 20155
190: ok 20156
190: ok 20157
190: ok 20158
190: ok 20159
190: ok 20160
190: ok 20161
190: ok 20162
190: ok 20163
190: ok 20164
190: ok 20165
190: ok 20166
190: ok 20167
190: ok 20168
190: ok 20169
190: ok 20170
190: ok 20171
190: ok 20172
190: ok 20173
190: ok 20174
190: ok 20175
190: ok 20176
190: ok 20177
190: ok 20178
190: ok 20179
190: ok 20180
190: ok 20181
190: ok 20182
190: ok 20183
190: ok 20184
190: ok 20185
190: ok 20186
190: ok 20187
190: ok 20188
190: ok 20189
190: ok 20190
190: ok 20191
190: ok 20192
190: ok 20193
190: ok 20194
190: ok 20195
190: ok 20196
190: ok 20197
190: ok 20198
190: ok 20199
190: ok 20200
190: ok 20201
190: ok 20202
190: ok 20203
190: ok 20204
190: ok 20205
190: ok 20206
190: ok 20207
190: ok 20208
190: ok 20209
190: ok 20210
190: ok 20211
190: ok 20212
190: ok 20213
190: ok 20214
190: ok 20215
190: ok 20216
190: ok 20217
190: ok 20218
190: ok 20219
190: ok 20220
190: ok 20221
190: ok 20222
190: ok 20223
190: ok 20224
190: ok 20225
190: ok 20226
190: ok 20227
190: ok 20228
190: ok 20229
190: ok 20230
190: ok 20231
190: ok 20232
190: ok 20233
190: ok 20234
190: ok 20235
190: ok 20236
190: ok 20237
190: ok 20238
190: ok 20239
190: ok 20240
190: ok 20241
190: ok 20242
190: ok 20243
190: ok 20244
190: ok 20245
190: ok 20246
190: ok 20247
190: ok 20248
190: ok 20249
190: ok 20250
190: ok 20251
190: ok 20252
190: ok 20253
190: ok 20254
190: ok 20255
190: ok 20256
190: ok 20257
190: ok 20258
190: ok 20259
190: ok 20260
190: ok 20261
190: ok 20262
190: ok 20263
190: ok 20264
190: ok 20265
190: ok 20266
190: ok 20267
190: ok 20268
190: ok 20269
190: ok 20270
190: ok 20271
190: ok 20272
190: ok 20273
190: ok 20274
190: ok 20275
190: ok 20276
190: ok 20277
190: ok 20278
190: ok 20279
190: ok 20280
190: ok 20281
190: ok 20282
190: ok 20283
190: ok 20284
190: ok 20285
190: ok 20286
190: ok 20287
190: ok 20288
190: ok 20289
190: ok 20290
190: ok 20291
190: ok 20292
190: ok 20293
190: ok 20294
190: ok 20295
190: ok 20296
190: ok 20297
190: ok 20298
190: ok 20299
190: ok 20300
190: ok 20301
190: ok 20302
190: ok 20303
190: ok 20304
190: ok 20305
190: ok 20306
190: ok 20307
190: ok 20308
190: ok 20309
190: ok 20310
190: ok 20311
190: ok 20312
190: ok 20313
190: ok 20314
190: ok 20315
190: ok 20316
190: ok 20317
190: ok 20318
190: ok 20319
190: ok 20320
190: ok 20321
190: ok 20322
190: ok 20323
190: ok 20324
190: ok 20325
190: ok 20326
190: ok 20327
190: ok 20328
190: ok 20329
190: ok 20330
190: ok 20331
190: ok 20332
190: ok 20333
190: ok 20334
190: ok 20335
190: ok 20336
190: ok 20337
190: ok 20338
190: ok 20339
190: ok 20340
190: ok 20341
190: ok 20342
190: ok 20343
190: ok 20344
190: ok 20345
190: ok 20346
190: ok 20347
190: ok 20348
190: ok 20349
190: ok 20350
190: ok 20351
190: ok 20352
190: ok 20353
190: ok 20354
190: ok 20355
190: ok 20356
190: ok 20357
190: ok 20358
190: ok 20359
190: ok 20360
190: ok 20361
190: ok 20362
190: ok 20363
190: ok 20364
190: ok 20365
190: ok 20366
190: ok 20367
190: ok 20368
190: ok 20369
190: ok 20370
190: ok 20371
190: ok 20372
190: ok 20373
190: ok 20374
190: ok 20375
190: ok 20376
190: ok 20377
190: ok 20378
190: ok 20379
190: ok 20380
190: ok 20381
190: ok 20382
190: ok 20383
190: ok 20384
190: ok 20385
190: ok 20386
190: ok 20387
190: ok 20388
190: ok 20389
190: ok 20390
190: ok 20391
190: ok 20392
190: ok 20393
190: ok 20394
190: ok 20395
190: ok 20396
190: ok 20397
190: ok 20398
190: ok 20399
190: ok 20400
190: ok 20401
190: ok 20402
190: ok 20403
190: ok 20404
190: ok 20405
190: ok 20406
190: ok 20407
190: ok 20408
190: ok 20409
190: ok 20410
190: ok 20411
190: ok 20412
190: ok 20413
190: ok 20414
190: ok 20415
190: ok 20416
190: ok 20417
190: ok 20418
190: ok 20419
190: ok 20420
190: ok 20421
190: ok 20422
190: ok 20423
190: ok 20424
190: ok 20425
190: ok 20426
190: ok 20427
190: ok 20428
190: ok 20429
190: ok 20430
190: ok 20431
190: ok 20432
190: ok 20433
190: ok 20434
190: ok 20435
190: ok 20436
190: ok 20437
190: ok 20438
190: ok 20439
190: ok 20440
190: ok 20441
190: ok 20442
190: ok 20443
190: ok 20444
190: ok 20445
190: ok 20446
190: ok 20447
190: ok 20448
190: ok 20449
190: ok 20450
190: ok 20451
190: ok 20452
190: ok 20453
190: ok 20454
190: ok 20455
190: ok 20456
190: ok 20457
190: ok 20458
190: ok 20459
190: ok 20460
190: ok 20461
190: ok 20462
190: ok 20463
190: ok 20464
190: ok 20465
190: ok 20466
190: ok 20467
190: ok 20468
190: ok 20469
190: ok 20470
190: ok 20471
190: ok 20472
190: ok 20473
190: ok 20474
190: ok 20475
190: ok 20476
190: ok 20477
190: ok 20478
190: ok 20479
190: ok 20480
190: ok 20481
190: ok 20482
190: ok 20483
190: ok 20484
190: ok 20485
190: ok 20486
190: ok 20487
190: ok 20488
190: ok 20489
190: ok 20490
190: ok 20491
190: ok 20492
190: ok 20493
190: ok 20494
190: ok 20495
190: ok 20496
190: ok 20497
190: ok 20498
190: ok 20499
190: ok 20500
190: ok 20501
190: ok 20502
190: ok 20503
190: ok 20504
190: ok 20505
190: ok 20506
190: ok 20507
190: ok 20508
190: ok 20509
190: ok 20510
190: ok 20511
190: ok 20512
190: ok 20513
190: ok 20514
190: ok 20515
190: ok 20516
190: ok 20517
190: ok 20518
190: ok 20519
190: ok 20520
190: ok 20521
190: ok 20522
190: ok 20523
190: ok 20524
190: ok 20525
190: ok 20526
190: ok 20527
190: ok 20528
190: ok 20529
190: ok 20530
190: ok 20531
190: ok 20532
190: ok 20533
190: ok 20534
190: ok 20535
190: ok 20536
190: ok 20537
190: ok 20538
190: ok 20539
190: ok 20540
190: ok 20541
190: ok 20542
190: ok 20543
190: ok 20544
190: ok 20545
190: ok 20546
190: ok 20547
190: ok 20548
190: ok 20549
190: ok 20550
190: ok 20551
190: ok 20552
190: ok 20553
190: ok 20554
190: ok 20555
190: ok 20556
190: ok 20557
190: ok 20558
190: ok 20559
190: ok 20560
190: ok 20561
190: ok 20562
190: ok 20563
190: ok 20564
190: ok 20565
190: ok 20566
190: ok 20567
190: ok 20568
190: ok 20569
190: ok 20570
190: ok 20571
190: ok 20572
190: ok 20573
190: ok 20574
190: ok 20575
190: ok 20576
190: ok 20577
190: ok 20578
190: ok 20579
190: ok 20580
190: ok 20581
190: ok 20582
190: ok 20583
190: ok 20584
190: ok 20585
190: ok 20586
190: ok 20587
190: ok 20588
190: ok 20589
190: ok 20590
190: ok 20591
190: ok 20592
190: ok 20593
190: ok 20594
190: ok 20595
190: ok 20596
190: ok 20597
190: ok 20598
190: ok 20599
190: ok 20600
190: ok 20601
190: ok 20602
190: ok 20603
190: ok 20604
190: ok 20605
190: ok 20606
190: ok 20607
190: ok 20608
190: ok 20609
190: ok 20610
190: ok 20611
190: ok 20612
190: ok 20613
190: ok 20614
190: ok 20615
190: ok 20616
190: ok 20617
190: ok 20618
190: ok 20619
190: ok 20620
190: ok 20621
190: ok 20622
190: ok 20623
190: ok 20624
190: ok 20625
190: ok 20626
190: ok 20627
190: ok 20628
190: ok 20629
190: ok 20630
190: ok 20631
190: ok 20632
190: ok 20633
190: ok 20634
190: ok 20635
190: ok 20636
190: ok 20637
190: ok 20638
190: ok 20639
190: ok 20640
190: ok 20641
190: ok 20642
190: ok 20643
190: ok 20644
190: ok 20645
190: ok 20646
190: ok 20647
190: ok 20648
190: ok 20649
190: ok 20650
190: ok 20651
190: ok 20652
190: ok 20653
190: ok 20654
190: ok 20655
190: ok 20656
190: ok 20657
190: ok 20658
190: ok 20659
190: ok 20660
190: ok 20661
190: ok 20662
190: ok 20663
190: ok 20664
190: ok 20665
190: ok 20666
190: ok 20667
190: ok 20668
190: ok 20669
190: ok 20670
190: ok 20671
190: ok 20672
190: ok 20673
190: ok 20674
190: ok 20675
190: ok 20676
190: ok 20677
190: ok 20678
190: ok 20679
190: ok 20680
190: ok 20681
190: ok 20682
190: ok 20683
190: ok 20684
190: ok 20685
190: ok 20686
190: ok 20687
190: ok 20688
190: ok 20689
190: ok 20690
190: ok 20691
190: ok 20692
190: ok 20693
190: ok 20694
190: ok 20695
190: ok 20696
190: ok 20697
190: ok 20698
190: ok 20699
190: ok 20700
190: ok 20701
190: ok 20702
190: ok 20703
190: ok 20704
190: ok 20705
190: ok 20706
190: ok 20707
190: ok 20708
190: ok 20709
190: ok 20710
190: ok 20711
190: ok 20712
190: ok 20713
190: ok 20714
190: ok 20715
190: ok 20716
190: ok 20717
190: ok 20718
190: ok 20719
190: ok 20720
190: ok 20721
190: ok 20722
190: ok 20723
190: ok 20724
190: ok 20725
190: ok 20726
190: ok 20727
190: ok 20728
190: ok 20729
190: ok 20730
190: ok 20731
190: ok 20732
190: ok 20733
190: ok 20734
190: ok 20735
190: ok 20736
190: ok 20737
190: ok 20738
190: ok 20739
190: ok 20740
190: ok 20741
190: ok 20742
190: ok 20743
190: ok 20744
190: ok 20745
190: ok 20746
190: ok 20747
190: ok 20748
190: ok 20749
190: ok 20750
190: ok 20751
190: ok 20752
190: ok 20753
190: ok 20754
190: ok 20755
190: ok 20756
190: ok 20757
190: ok 20758
190: ok 20759
190: ok 20760
190: ok 20761
190: ok 20762
190: ok 20763
190: ok 20764
190: ok 20765
190: ok 20766
190: ok 20767
190: ok 20768
190: ok 20769
190: ok 20770
190: ok 20771
190: ok 20772
190: ok 20773
190: ok 20774
190: ok 20775
190: ok 20776
190: ok 20777
190: ok 20778
190: ok 20779
190: ok 20780
190: ok 20781
190: ok 20782
190: ok 20783
190: ok 20784
190: ok 20785
190: ok 20786
190: ok 20787
190: ok 20788
190: ok 20789
190: ok 20790
190: ok 20791
190: ok 20792
190: ok 20793
190: ok 20794
190: ok 20795
190: ok 20796
190: ok 20797
190: ok 20798
190: ok 20799
190: ok 20800
190: ok 20801
190: ok 20802
190: ok 20803
190: ok 20804
190: ok 20805
190: ok 20806
190: ok 20807
190: ok 20808
190: ok 20809
190: ok 20810
190: ok 20811
190: ok 20812
190: ok 20813
190: ok 20814
190: ok 20815
190: ok 20816
190: ok 20817
190: ok 20818
190: ok 20819
190: ok 20820
190: ok 20821
190: ok 20822
190: ok 20823
190: ok 20824
190: ok 20825
190: ok 20826
190: ok 20827
190: ok 20828
190: ok 20829
190: ok 20830
190: ok 20831
190: ok 20832
190: ok 20833
190: ok 20834
190: ok 20835
190: ok 20836
190: ok 20837
190: ok 20838
190: ok 20839
190: ok 20840
190: ok 20841
190: ok 20842
190: ok 20843
190: ok 20844
190: ok 20845
190: ok 20846
190: ok 20847
190: ok 20848
190: ok 20849
190: ok 20850
190: ok 20851
190: ok 20852
190: ok 20853
190: ok 20854
190: ok 20855
190: ok 20856
190: ok 20857
190: ok 20858
190: ok 20859
190: ok 20860
190: ok 20861
190: ok 20862
190: ok 20863
190: ok 20864
190: ok 20865
190: ok 20866
190: ok 20867
190: ok 20868
190: ok 20869
190: ok 20870
190: ok 20871
190: ok 20872
190: ok 20873
190: ok 20874
190: ok 20875
190: ok 20876
190: ok 20877
190: ok 20878
190: ok 20879
190: ok 20880
190: ok 20881
190: ok 20882
190: ok 20883
190: ok 20884
190: ok 20885
190: ok 20886
190: ok 20887
190: ok 20888
190: ok 20889
190: ok 20890
190: ok 20891
190: ok 20892
190: ok 20893
190: ok 20894
190: ok 20895
190: ok 20896
190: ok 20897
190: ok 20898
190: ok 20899
190: ok 20900
190: ok 20901
190: ok 20902
190: ok 20903
190: ok 20904
190: ok 20905
190: ok 20906
190: ok 20907
190: ok 20908
190: ok 20909
190: ok 20910
190: ok 20911
190: ok 20912
190: ok 20913
190: ok 20914
190: ok 20915
190: ok 20916
190: ok 20917
190: ok 20918
190: ok 20919
190: ok 20920
190: ok 20921
190: ok 20922
190: ok 20923
190: ok 20924
190: ok 20925
190: ok 20926
190: ok 20927
190: ok 20928
190: ok 20929
190: ok 20930
190: ok 20931
190: ok 20932
190: ok 20933
190: ok 20934
190: ok 20935
190: ok 20936
190: ok 20937
190: ok 20938
190: ok 20939
190: ok 20940
190: ok 20941
190: ok 20942
190: ok 20943
190: ok 20944
190: ok 20945
190: ok 20946
190: ok 20947
190: ok 20948
190: ok 20949
190: ok 20950
190: ok 20951
190: ok 20952
190: ok 20953
190: ok 20954
190: ok 20955
190: ok 20956
190: ok 20957
190: ok 20958
190: ok 20959
190: ok 20960
190: ok 20961
190: ok 20962
190: ok 20963
190: ok 20964
190: ok 20965
190: ok 20966
190: ok 20967
190: ok 20968
190: ok 20969
190: ok 20970
190: ok 20971
190: ok 20972
190: ok 20973
190: ok 20974
190: ok 20975
190: ok 20976
190: ok 20977
190: ok 20978
190: ok 20979
190: ok 20980
190: ok 20981
190: ok 20982
190: ok 20983
190: ok 20984
190: ok 20985
190: ok 20986
190: ok 20987
190: ok 20988
190: ok 20989
190: ok 20990
190: ok 20991
190: ok 20992
190: ok 20993
190: ok 20994
190: ok 20995
190: ok 20996
190: ok 20997
190: ok 20998
190: ok 20999
190: ok 21000
190: ok 21001
190: ok 21002
190: ok 21003
190: ok 21004
190: ok 21005
190: ok 21006
190: ok 21007
190: ok 21008
190: ok 21009
190: ok 21010
190: ok 21011
190: ok 21012
190: ok 21013
190: ok 21014
190: ok 21015
190: ok 21016
190: ok 21017
190: ok 21018
190: ok 21019
190: ok 21020
190: ok 21021
190: ok 21022
190: ok 21023
190: ok 21024
190: ok 21025
190: ok 21026
190: ok 21027
190: ok 21028
190: ok 21029
190: ok 21030
190: ok 21031
190: ok 21032
190: ok 21033
190: ok 21034
190: ok 21035
190: ok 21036
190: ok 21037
190: ok 21038
190: ok 21039
190: ok 21040
190: ok 21041
190: ok 21042
190: ok 21043
190: ok 21044
190: ok 21045
190: ok 21046
190: ok 21047
190: ok 21048
190: ok 21049
190: ok 21050
190: ok 21051
190: ok 21052
190: ok 21053
190: ok 21054
190: ok 21055
190: ok 21056
190: ok 21057
190: ok 21058
190: ok 21059
190: ok 21060
190: ok 21061
190: ok 21062
190: ok 21063
190: ok 21064
190: ok 21065
190: ok 21066
190: ok 21067
190: ok 21068
190: ok 21069
190: ok 21070
190: ok 21071
190: ok 21072
190: ok 21073
190: ok 21074
190: ok 21075
190: ok 21076
190: ok 21077
190: ok 21078
190: ok 21079
190: ok 21080
190: ok 21081
190: ok 21082
190: ok 21083
190: ok 21084
190: ok 21085
190: ok 21086
190: ok 21087
190: ok 21088
190: ok 21089
190: ok 21090
190: ok 21091
190: ok 21092
190: ok 21093
190: ok 21094
190: ok 21095
190: ok 21096
190: ok 21097
190: ok 21098
190: ok 21099
190: ok 21100
190: ok 21101
190: ok 21102
190: ok 21103
190: ok 21104
190: ok 21105
190: ok 21106
190: ok 21107
190: ok 21108
190: ok 21109
190: ok 21110
190: ok 21111
190: ok 21112
190: ok 21113
190: ok 21114
190: ok 21115
190: ok 21116
190: ok 21117
190: ok 21118
190: ok 21119
190: ok 21120
190: ok 21121
190: ok 21122
190: ok 21123
190: ok 21124
190: ok 21125
190: ok 21126
190: ok 21127
190: ok 21128
190: ok 21129
190: ok 21130
190: ok 21131
190: ok 21132
190: ok 21133
190: ok 21134
190: ok 21135
190: ok 21136
190: ok 21137
190: ok 21138
190: ok 21139
190: ok 21140
190: ok 21141
190: ok 21142
190: ok 21143
190: ok 21144
190: ok 21145
190: ok 21146
190: ok 21147
190: ok 21148
190: ok 21149
190: ok 21150
190: ok 21151
190: ok 21152
190: ok 21153
190: ok 21154
190: ok 21155
190: ok 21156
190: ok 21157
190: ok 21158
190: ok 21159
190: ok 21160
190: ok 21161
190: ok 21162
190: ok 21163
190: ok 21164
190: ok 21165
190: ok 21166
190: ok 21167
190: ok 21168
190: ok 21169
190: ok 21170
190: ok 21171
190: ok 21172
190: ok 21173
190: ok 21174
190: ok 21175
190: ok 21176
190: ok 21177
190: ok 21178
190: ok 21179
190: ok 21180
190: ok 21181
190: ok 21182
190: ok 21183
190: ok 21184
190: ok 21185
190: ok 21186
190: ok 21187
190: ok 21188
190: ok 21189
190: ok 21190
190: ok 21191
190: ok 21192
190: ok 21193
190: ok 21194
190: ok 21195
190: ok 21196
190: ok 21197
190: ok 21198
190: ok 21199
190: ok 21200
190: ok 21201
190: ok 21202
190: ok 21203
190: ok 21204
190: ok 21205
190: ok 21206
190: ok 21207
190: ok 21208
190: ok 21209
190: ok 21210
190: ok 21211
190: ok 21212
190: ok 21213
190: ok 21214
190: ok 21215
190: ok 21216
190: ok 21217
190: ok 21218
190: ok 21219
190: ok 21220
190: ok 21221
190: ok 21222
190: ok 21223
190: ok 21224
190: ok 21225
190: ok 21226
190: ok 21227
190: ok 21228
190: ok 21229
190: ok 21230
190: ok 21231
190: ok 21232
190: ok 21233
190: ok 21234
190: ok 21235
190: ok 21236
190: ok 21237
190: ok 21238
190: ok 21239
190: ok 21240
190: ok 21241
190: ok 21242
190: ok 21243
190: ok 21244
190: ok 21245
190: ok 21246
190: ok 21247
190: ok 21248
190: ok 21249
190: ok 21250
190: ok 21251
190: ok 21252
190: ok 21253
190: ok 21254
190: ok 21255
190: ok 21256
190: ok 21257
190: ok 21258
190: ok 21259
190: ok 21260
190: ok 21261
190: ok 21262
190: ok 21263
190: ok 21264
190: ok 21265
190: ok 21266
190: ok 21267
190: ok 21268
190: ok 21269
190: ok 21270
190: ok 21271
190: ok 21272
190: ok 21273
190: ok 21274
190: ok 21275
190: ok 21276
190: ok 21277
190: ok 21278
190: ok 21279
190: ok 21280
190: ok 21281
190: ok 21282
190: ok 21283
190: ok 21284
190: ok 21285
190: ok 21286
190: ok 21287
190: ok 21288
190: ok 21289
190: ok 21290
190: ok 21291
190: ok 21292
190: ok 21293
190: ok 21294
190: ok 21295
190: ok 21296
190: ok 21297
190: ok 21298
190: ok 21299
190: ok 21300
190: ok 21301
190: ok 21302
190: ok 21303
190: ok 21304
190: ok 21305
190: ok 21306
190: ok 21307
190: ok 21308
190: ok 21309
190: ok 21310
190: ok 21311
190: ok 21312
190: ok 21313
190: ok 21314
190: ok 21315
190: ok 21316
190: ok 21317
190: ok 21318
190: ok 21319
190: ok 21320
190: ok 21321
190: ok 21322
190: ok 21323
190: ok 21324
190: ok 21325
190: ok 21326
190: ok 21327
190: ok 21328
190: ok 21329
190: ok 21330
190: ok 21331
190: ok 21332
190: ok 21333
190: ok 21334
190: ok 21335
190: ok 21336
190: ok 21337
190: ok 21338
190: ok 21339
190: ok 21340
190: ok 21341
190: ok 21342
190: ok 21343
190: ok 21344
190: ok 21345
190: ok 21346
190: ok 21347
190: ok 21348
190: ok 21349
190: ok 21350
190: ok 21351
190: ok 21352
190: ok 21353
190: ok 21354
190: ok 21355
190: ok 21356
190: ok 21357
190: ok 21358
190: ok 21359
190: ok 21360
190: ok 21361
190: ok 21362
190: ok 21363
190: ok 21364
190: ok 21365
190: ok 21366
190: ok 21367
190: ok 21368
190: ok 21369
190: ok 21370
190: ok 21371
190: ok 21372
190: ok 21373
190: ok 21374
190: ok 21375
190: ok 21376
190: ok 21377
190: ok 21378
190: ok 21379
190: ok 21380
190: ok 21381
190: ok 21382
190: ok 21383
190: ok 21384
190: ok 21385
190: ok 21386
190: ok 21387
190: ok 21388
190: ok 21389
190: ok 21390
190: ok 21391
190: ok 21392
190: ok 21393
190: ok 21394
190: ok 21395
190: ok 21396
190: ok 21397
190: ok 21398
190: ok 21399
190: ok 21400
190: ok 21401
190: ok 21402
190: ok 21403
190: ok 21404
190: ok 21405
190: ok 21406
190: ok 21407
190: ok 21408
190: ok 21409
190: ok 21410
190: ok 21411
190: ok 21412
190: ok 21413
190: ok 21414
190: ok 21415
190: ok 21416
190: ok 21417
190: ok 21418
190: ok 21419
190: ok 21420
190: ok 21421
190: ok 21422
190: ok 21423
190: ok 21424
190: ok 21425
190: ok 21426
190: ok 21427
190: ok 21428
190: ok 21429
190: ok 21430
190: ok 21431
190: ok 21432
190: ok 21433
190: ok 21434
190: ok 21435
190: ok 21436
190: ok 21437
190: ok 21438
190: ok 21439
190: ok 21440
190: ok 21441
190: ok 21442
190: ok 21443
190: ok 21444
190: ok 21445
190: ok 21446
190: ok 21447
190: ok 21448
190: ok 21449
190: ok 21450
190: ok 21451
190: ok 21452
190: ok 21453
190: ok 21454
190: ok 21455
190: ok 21456
190: ok 21457
190: ok 21458
190: ok 21459
190: ok 21460
190: ok 21461
190: ok 21462
190: ok 21463
190: ok 21464
190: ok 21465
190: ok 21466
190: ok 21467
190: ok 21468
190: ok 21469
190: ok 21470
190: ok 21471
190: ok 21472
190: ok 21473
190: ok 21474
190: ok 21475
190: ok 21476
190: ok 21477
190: ok 21478
190: ok 21479
190: ok 21480
190: ok 21481
190: ok 21482
190: ok 21483
190: ok 21484
190: ok 21485
190: ok 21486
190: ok 21487
190: ok 21488
190: ok 21489
190: ok 21490
190: ok 21491
190: ok 21492
190: ok 21493
190: ok 21494
190: ok 21495
190: ok 21496
190: ok 21497
190: ok 21498
190: ok 21499
190: ok 21500
190: ok 21501
190: ok 21502
190: ok 21503
190: ok 21504
190: ok 21505
190: ok 21506
190: ok 21507
190: ok 21508
190: ok 21509
190: ok 21510
190: ok 21511
190: ok 21512
190: ok 21513
190: ok 21514
190: ok 21515
190: ok 21516
190: ok 21517
190: ok 21518
190: ok 21519
190: ok 21520
190: ok 21521
190: ok 21522
190: ok 21523
190: ok 21524
190: ok 21525
190: ok 21526
190: ok 21527
190: ok 21528
190: ok 21529
190: ok 21530
190: ok 21531
190: ok 21532
190: ok 21533
190: ok 21534
190: ok 21535
190: ok 21536
190: ok 21537
190: ok 21538
190: ok 21539
190: ok 21540
190: ok 21541
190: ok 21542
190: ok 21543
190: ok 21544
190: ok 21545
190: ok 21546
190: ok 21547
190: ok 21548
190: ok 21549
190: ok 21550
190: ok 21551
190: ok 21552
190: ok 21553
190: ok 21554
190: ok 21555
190: ok 21556
190: ok 21557
190: ok 21558
190: ok 21559
190: ok 21560
190: ok 21561
190: ok 21562
190: ok 21563
190: ok 21564
190: ok 21565
190: ok 21566
190: ok 21567
190: ok 21568
190: ok 21569
190: ok 21570
190: ok 21571
190: ok 21572
190: ok 21573
190: ok 21574
190: ok 21575
190: ok 21576
190: ok 21577
190: ok 21578
190: ok 21579
190: ok 21580
190: ok 21581
190: ok 21582
190: ok 21583
190: ok 21584
190: ok 21585
190: ok 21586
190: ok 21587
190: ok 21588
190: ok 21589
190: ok 21590
190: ok 21591
190: ok 21592
190: ok 21593
190: ok 21594
190: ok 21595
190: ok 21596
190: ok 21597
190: ok 21598
190: ok 21599
190: ok 21600
190: ok 21601
190: ok 21602
190: ok 21603
190: ok 21604
190: ok 21605
190: ok 21606
190: ok 21607
190: ok 21608
190: ok 21609
190: ok 21610
190: ok 21611
190: ok 21612
190: ok 21613
190: ok 21614
190: ok 21615
190: ok 21616
190: ok 21617
190: ok 21618
190: ok 21619
190: ok 21620
190: ok 21621
190: ok 21622
190: ok 21623
190: ok 21624
190: ok 21625
190: ok 21626
190: ok 21627
190: ok 21628
190: ok 21629
190: ok 21630
190: ok 21631
190: ok 21632
190: ok 21633
190: ok 21634
190: ok 21635
190: ok 21636
190: ok 21637
190: ok 21638
190: ok 21639
190: ok 21640
190: ok 21641
190: ok 21642
190: ok 21643
190: ok 21644
190: ok 21645
190: ok 21646
190: ok 21647
190: ok 21648
190: ok 21649
190: ok 21650
190: ok 21651
190: ok 21652
190: ok 21653
190: ok 21654
190: ok 21655
190: ok 21656
190: ok 21657
190: ok 21658
190: ok 21659
190: ok 21660
190: ok 21661
190: ok 21662
190: ok 21663
190: ok 21664
190: ok 21665
190: ok 21666
190: ok 21667
190: ok 21668
190: ok 21669
190: ok 21670
190: ok 21671
190: ok 21672
190: ok 21673
190: ok 21674
190: ok 21675
190: ok 21676
190: ok 21677
190: ok 21678
190: ok 21679
190: ok 21680
190: ok 21681
190: ok 21682
190: ok 21683
190: ok 21684
190: ok 21685
190: ok 21686
190: ok 21687
190: ok 21688
190: ok 21689
190: ok 21690
190: ok 21691
190: ok 21692
190: ok 21693
190: ok 21694
190: ok 21695
190: ok 21696
190: ok 21697
190: ok 21698
190: ok 21699
190: ok 21700
190: ok 21701
190: ok 21702
190: ok 21703
190: ok 21704
190: ok 21705
190: ok 21706
190: ok 21707
190: ok 21708
190: ok 21709
190: ok 21710
190: ok 21711
190: ok 21712
190: ok 21713
190: ok 21714
190: ok 21715
190: ok 21716
190: ok 21717
190: ok 21718
190: ok 21719
190: ok 21720
190: ok 21721
190: ok 21722
190: ok 21723
190: ok 21724
190: ok 21725
190: ok 21726
190: ok 21727
190: ok 21728
190: ok 21729
190: ok 21730
190: ok 21731
190: ok 21732
190: ok 21733
190: ok 21734
190: ok 21735
190: ok 21736
190: ok 21737
190: ok 21738
190: ok 21739
190: ok 21740
190: ok 21741
190: ok 21742
190: ok 21743
190: ok 21744
190: ok 21745
190: ok 21746
190: ok 21747
190: ok 21748
190: ok 21749
190: ok 21750
190: ok 21751
190: ok 21752
190: ok 21753
190: ok 21754
190: ok 21755
190: ok 21756
190: ok 21757
190: ok 21758
190: ok 21759
190: ok 21760
190: ok 21761
190: ok 21762
190: ok 21763
190: ok 21764
190: ok 21765
190: ok 21766
190: ok 21767
190: ok 21768
190: ok 21769
190: ok 21770
190: ok 21771
190: ok 21772
190: ok 21773
190: ok 21774
190: ok 21775
190: ok 21776
190: ok 21777
190: ok 21778
190: ok 21779
190: ok 21780
190: ok 21781
190: ok 21782
190: ok 21783
190: ok 21784
190: ok 21785
190: ok 21786
190: ok 21787
190: ok 21788
190: ok 21789
190: ok 21790
190: ok 21791
190: ok 21792
190: ok 21793
190: ok 21794
190: ok 21795
190: ok 21796
190: ok 21797
190: ok 21798
190: ok 21799
190: ok 21800
190: ok 21801
190: ok 21802
190: ok 21803
190: ok 21804
190: ok 21805
190: ok 21806
190: ok 21807
190: ok 21808
190: ok 21809
190: ok 21810
190: ok 21811
190: ok 21812
190: ok 21813
190: ok 21814
190: ok 21815
190: ok 21816
190: ok 21817
190: ok 21818
190: ok 21819
190: ok 21820
190: ok 21821
190: ok 21822
190: ok 21823
190: ok 21824
190: ok 21825
190: ok 21826
190: ok 21827
190: ok 21828
190: ok 21829
190: ok 21830
190: ok 21831
190: ok 21832
190: ok 21833
190: ok 21834
190: ok 21835
190: ok 21836
190: ok 21837
190: ok 21838
190: ok 21839
190: ok 21840
190: ok 21841
190: ok 21842
190: ok 21843
190: ok 21844
190: ok 21845
190: ok 21846
190: ok 21847
190: ok 21848
190: ok 21849
190: ok 21850
190: ok 21851
190: ok 21852
190: ok 21853
190: ok 21854
190: ok 21855
190: ok 21856
190: ok 21857
190: ok 21858
190: ok 21859
190: ok 21860
190: ok 21861
190: ok 21862
190: ok 21863
190: ok 21864
190: ok 21865
190: ok 21866
190: ok 21867
190: ok 21868
190: ok 21869
190: ok 21870
190: ok 21871
190: ok 21872
190: ok 21873
190: ok 21874
190: ok 21875
190: ok 21876
190: ok 21877
190: ok 21878
190: ok 21879
190: ok 21880
190: ok 21881
190: ok 21882
190: ok 21883
190: ok 21884
190: ok 21885
190: ok 21886
190: ok 21887
190: ok 21888
190: ok 21889
190: ok 21890
190: ok 21891
190: ok 21892
190: ok 21893
190: ok 21894
190: ok 21895
190: ok 21896
190: ok 21897
190: ok 21898
190: ok 21899
190: ok 21900
190: ok 21901
190: ok 21902
190: ok 21903
190: ok 21904
190: ok 21905
190: ok 21906
190: ok 21907
190: ok 21908
190: ok 21909
190: ok 21910
190: ok 21911
190: ok 21912
190: ok 21913
190: ok 21914
190: ok 21915
190: ok 21916
190: ok 21917
190: ok 21918
190: ok 21919
190: ok 21920
190: ok 21921
190: ok 21922
190: ok 21923
190: ok 21924
190: ok 21925
190: ok 21926
190: ok 21927
190: ok 21928
190: ok 21929
190: ok 21930
190: ok 21931
190: ok 21932
190: ok 21933
190: ok 21934
190: ok 21935
190: ok 21936
190: ok 21937
190: ok 21938
190: ok 21939
190: ok 21940
190: ok 21941
190: ok 21942
190: ok 21943
190: ok 21944
190: ok 21945
190: ok 21946
190: ok 21947
190: ok 21948
190: ok 21949
190: ok 21950
190: ok 21951
190: ok 21952
190: ok 21953
190: ok 21954
190: ok 21955
190: ok 21956
190: ok 21957
190: ok 21958
190: ok 21959
190: ok 21960
190: ok 21961
190: ok 21962
190: ok 21963
190: ok 21964
190: ok 21965
190: ok 21966
190: ok 21967
190: ok 21968
190: ok 21969
190: ok 21970
190: ok 21971
190: ok 21972
190: ok 21973
190: ok 21974
190: ok 21975
190: ok 21976
190: ok 21977
190: ok 21978
190: ok 21979
190: ok 21980
190: ok 21981
190: ok 21982
190: ok 21983
190: ok 21984
190: ok 21985
190: ok 21986
190: ok 21987
190: ok 21988
190: ok 21989
190: ok 21990
190: ok 21991
190: ok 21992
190: ok 21993
190: ok 21994
190: ok 21995
190: ok 21996
190: ok 21997
190: ok 21998
190: ok 21999
190: ok 22000
190: ok 22001
190: ok 22002
190: ok 22003
190: ok 22004
190: ok 22005
190: ok 22006
190: ok 22007
190: ok 22008
190: ok 22009
190: ok 22010
190: ok 22011
190: ok 22012
190: ok 22013
190: ok 22014
190: ok 22015
190: ok 22016
190: ok 22017
190: ok 22018
190: ok 22019
190: ok 22020
190: ok 22021
190: ok 22022
190: ok 22023
190: ok 22024
190: ok 22025
190: ok 22026
190: ok 22027
190: ok 22028
190: ok 22029
190: ok 22030
190: ok 22031
190: ok 22032
190: ok 22033
190: ok 22034
190: ok 22035
190: ok 22036
190: ok 22037
190: ok 22038
190: ok 22039
190: ok 22040
190: ok 22041
190: ok 22042
190: ok 22043
190: ok 22044
190: ok 22045
190: ok 22046
190: ok 22047
190: ok 22048
190: ok 22049
190: ok 22050
190: ok 22051
190: ok 22052
190: ok 22053
190: ok 22054
190: ok 22055
190: ok 22056
190: ok 22057
190: ok 22058
190: ok 22059
190: ok 22060
190: ok 22061
190: ok 22062
190: ok 22063
190: ok 22064
190: ok 22065
190: ok 22066
190: ok 22067
190: ok 22068
190: ok 22069
190: ok 22070
190: ok 22071
190: ok 22072
190: ok 22073
190: ok 22074
190: ok 22075
190: ok 22076
190: ok 22077
190: ok 22078
190: ok 22079
190: ok 22080
190: ok 22081
190: ok 22082
190: ok 22083
190: ok 22084
190: ok 22085
190: ok 22086
190: ok 22087
190: ok 22088
190: ok 22089
190: ok 22090
190: ok 22091
190: ok 22092
190: ok 22093
190: ok 22094
190: ok 22095
190: ok 22096
190: ok 22097
190: ok 22098
190: ok 22099
190: ok 22100
190: ok 22101
190: ok 22102
190: ok 22103
190: ok 22104
190: ok 22105
190: ok 22106
190: ok 22107
190: ok 22108
190: ok 22109
190: ok 22110
190: ok 22111
190: ok 22112
190: ok 22113
190: ok 22114
190: ok 22115
190: ok 22116
190: ok 22117
190: ok 22118
190: ok 22119
190: ok 22120
190: ok 22121
190: ok 22122
190: ok 22123
190: ok 22124
190: ok 22125
190: ok 22126
190: ok 22127
190: ok 22128
190: ok 22129
190: ok 22130
190: ok 22131
190: ok 22132
190: ok 22133
190: ok 22134
190: ok 22135
190: ok 22136
190: ok 22137
190: ok 22138
190: ok 22139
190: ok 22140
190: ok 22141
190: ok 22142
190: ok 22143
190: ok 22144
190: ok 22145
190: ok 22146
190: ok 22147
190: ok 22148
190: ok 22149
190: ok 22150
190: ok 22151
190: ok 22152
190: ok 22153
190: ok 22154
190: ok 22155
190: ok 22156
190: ok 22157
190: ok 22158
190: ok 22159
190: ok 22160
190: ok 22161
190: ok 22162
190: ok 22163
190: ok 22164
190: ok 22165
190: ok 22166
190: ok 22167
190: ok 22168
190: ok 22169
190: ok 22170
190: ok 22171
190: ok 22172
190: ok 22173
190: ok 22174
190: ok 22175
190: ok 22176
190: ok 22177
190: ok 22178
190: ok 22179
190: ok 22180
190: ok 22181
190: ok 22182
190: ok 22183
190: ok 22184
190: ok 22185
190: ok 22186
190: ok 22187
190: ok 22188
190: ok 22189
190: ok 22190
190: ok 22191
190: ok 22192
190: ok 22193
190: ok 22194
190: ok 22195
190: ok 22196
190: ok 22197
190: ok 22198
190: ok 22199
190: ok 22200
190: ok 22201
190: ok 22202
190: ok 22203
190: ok 22204
190: ok 22205
190: ok 22206
190: ok 22207
190: ok 22208
190: ok 22209
190: ok 22210
190: ok 22211
190: ok 22212
190: ok 22213
190: ok 22214
190: ok 22215
190: ok 22216
190: ok 22217
190: ok 22218
190: ok 22219
190: ok 22220
190: ok 22221
190: ok 22222
190: ok 22223
190: ok 22224
190: ok 22225
190: ok 22226
190: ok 22227
190: ok 22228
190: ok 22229
190: ok 22230
190: ok 22231
190: ok 22232
190: ok 22233
190: ok 22234
190: ok 22235
190: ok 22236
190: ok 22237
190: ok 22238
190: ok 22239
190: ok 22240
190: ok 22241
190: ok 22242
190: ok 22243
190: ok 22244
190: ok 22245
190: ok 22246
190: ok 22247
190: ok 22248
190: ok 22249
190: ok 22250
190: ok 22251
190: ok 22252
190: ok 22253
190: ok 22254
190: ok 22255
190: ok 22256
190: ok 22257
190: ok 22258
190: ok 22259
190: ok 22260
190: ok 22261
190: ok 22262
190: ok 22263
190: ok 22264
190: ok 22265
190: ok 22266
190: ok 22267
190: ok 22268
190: ok 22269
190: ok 22270
190: ok 22271
190: ok 22272
190: ok 22273
190: ok 22274
190: ok 22275
190: ok 22276
190: ok 22277
190: ok 22278
190: ok 22279
190: ok 22280
190: ok 22281
190: ok 22282
190: ok 22283
190: ok 22284
190: ok 22285
190: ok 22286
190: ok 22287
190: ok 22288
190: ok 22289
190: ok 22290
190: ok 22291
190: ok 22292
190: ok 22293
190: ok 22294
190: ok 22295
190: ok 22296
190: ok 22297
190: ok 22298
190: ok 22299
190: ok 22300
190: ok 22301
190: ok 22302
190: ok 22303
190: ok 22304
190: ok 22305
190: ok 22306
190: ok 22307
190: ok 22308
190: ok 22309
190: ok 22310
190: ok 22311
190: ok 22312
190: ok 22313
190: ok 22314
190: ok 22315
190: ok 22316
190: ok 22317
190: ok 22318
190: ok 22319
190: ok 22320
190: ok 22321
190: ok 22322
190: ok 22323
190: ok 22324
190: ok 22325
190: ok 22326
190: ok 22327
190: ok 22328
190: ok 22329
190: ok 22330
190: ok 22331
190: ok 22332
190: ok 22333
190: ok 22334
190: ok 22335
190: ok 22336
190: ok 22337
190: ok 22338
190: ok 22339
190: ok 22340
190: ok 22341
190: ok 22342
190: ok 22343
190: ok 22344
190: ok 22345
190: ok 22346
190: ok 22347
190: ok 22348
190: ok 22349
190: ok 22350
190: ok 22351
190: ok 22352
190: ok 22353
190: ok 22354
190: ok 22355
190: ok 22356
190: ok 22357
190: ok 22358
190: ok 22359
190: ok 22360
190: ok 22361
190: ok 22362
190: ok 22363
190: ok 22364
190: ok 22365
190: ok 22366
190: ok 22367
190: ok 22368
190: ok 22369
190: ok 22370
190: ok 22371
190: ok 22372
190: ok 22373
190: ok 22374
190: ok 22375
190: ok 22376
190: ok 22377
190: ok 22378
190: ok 22379
190: ok 22380
190: ok 22381
190: ok 22382
190: ok 22383
190: ok 22384
190: ok 22385
190: ok 22386
190: ok 22387
190: ok 22388
190: ok 22389
190: ok 22390
190: ok 22391
190: ok 22392
190: ok 22393
190: ok 22394
190: ok 22395
190: ok 22396
190: ok 22397
190: ok 22398
190: ok 22399
190: ok 22400
190: ok 22401
190: ok 22402
190: ok 22403
190: ok 22404
190: ok 22405
190: ok 22406
190: ok 22407
190: ok 22408
190: ok 22409
190: ok 22410
190: ok 22411
190: ok 22412
190: ok 22413
190: ok 22414
190: ok 22415
190: ok 22416
190: ok 22417
190: ok 22418
190: ok 22419
190: ok 22420
190: ok 22421
190: ok 22422
190: ok 22423
190: ok 22424
190: ok 22425
190: ok 22426
190: ok 22427
190: ok 22428
190: ok 22429
190: ok 22430
190: ok 22431
190: ok 22432
190: ok 22433
190: ok 22434
190: ok 22435
190: ok 22436
190: ok 22437
190: ok 22438
190: ok 22439
190: ok 22440
190: ok 22441
190: ok 22442
190: ok 22443
190: ok 22444
190: ok 22445
190: ok 22446
190: ok 22447
190: ok 22448
190: ok 22449
190: ok 22450
190: ok 22451
190: ok 22452
190: ok 22453
190: ok 22454
190: ok 22455
190: ok 22456
190: ok 22457
190: ok 22458
190: ok 22459
190: ok 22460
190: ok 22461
190: ok 22462
190: ok 22463
190: ok 22464
190: ok 22465
190: ok 22466
190: ok 22467
190: ok 22468
190: ok 22469
190: ok 22470
190: ok 22471
190: ok 22472
190: ok 22473
190: ok 22474
190: ok 22475
190: ok 22476
190: ok 22477
190: ok 22478
190: ok 22479
190: ok 22480
190: ok 22481
190: ok 22482
190: ok 22483
190: ok 22484
190: ok 22485
190: ok 22486
190: ok 22487
190: ok 22488
190: ok 22489
190: ok 22490
190: ok 22491
190: ok 22492
190: ok 22493
190: ok 22494
190: ok 22495
190: ok 22496
190: ok 22497
190: ok 22498
190: ok 22499
190: ok 22500
190: ok 22501
190: ok 22502
190: ok 22503
190: ok 22504
190: ok 22505
190: ok 22506
190: ok 22507
190: ok 22508
190: ok 22509
190: ok 22510
190: ok 22511
190: ok 22512
190: ok 22513
190: ok 22514
190: ok 22515
190: ok 22516
190: ok 22517
190: ok 22518
190: ok 22519
190: ok 22520
190: ok 22521
190: ok 22522
190: ok 22523
190: ok 22524
190: ok 22525
190: ok 22526
190: ok 22527
190: ok 22528
190: ok 22529
190: ok 22530
190: ok 22531
190: ok 22532
190: ok 22533
190: ok 22534
190: ok 22535
190: ok 22536
190: ok 22537
190: ok 22538
190: ok 22539
190: ok 22540
190: ok 22541
190: ok 22542
190: ok 22543
190: ok 22544
190: ok 22545
190: ok 22546
190: ok 22547
190: ok 22548
190: ok 22549
190: ok 22550
190: ok 22551
190: ok 22552
190: ok 22553
190: ok 22554
190: ok 22555
190: ok 22556
190: ok 22557
190: ok 22558
190: ok 22559
190: ok 22560
190: ok 22561
190: ok 22562
190: ok 22563
190: ok 22564
190: ok 22565
190: ok 22566
190: ok 22567
190: ok 22568
190: ok 22569
190: ok 22570
190: ok 22571
190: ok 22572
190: ok 22573
190: ok 22574
190: ok 22575
190: ok 22576
190: ok 22577
190: ok 22578
190: ok 22579
190: ok 22580
190: ok 22581
190: ok 22582
190: ok 22583
190: ok 22584
190: ok 22585
190: ok 22586
190: ok 22587
190: ok 22588
190: ok 22589
190: ok 22590
190: ok 22591
190: ok 22592
190: ok 22593
190: ok 22594
190: ok 22595
190: ok 22596
190: ok 22597
190: ok 22598
190: ok 22599
190: ok 22600
190: ok 22601
190: ok 22602
190: ok 22603
190: ok 22604
190: ok 22605
190: ok 22606
190: ok 22607
190: ok 22608
190: ok 22609
190: ok 22610
190: ok 22611
190: ok 22612
190: ok 22613
190: ok 22614
190: ok 22615
190: ok 22616
190: ok 22617
190: ok 22618
190: ok 22619
190: ok 22620
190: ok 22621
190: ok 22622
190: ok 22623
190: ok 22624
190: ok 22625
190: ok 22626
190: ok 22627
190: ok 22628
190: ok 22629
190: ok 22630
190: ok 22631
190: ok 22632
190: ok 22633
190: ok 22634
190: ok 22635
190: ok 22636
190: ok 22637
190: ok 22638
190: ok 22639
190: ok 22640
190: ok 22641
190: ok 22642
190: ok 22643
190: ok 22644
190: ok 22645
190: ok 22646
190: ok 22647
190: ok 22648
190: ok 22649
190: ok 22650
190: ok 22651
190: ok 22652
190: ok 22653
190: ok 22654
190: ok 22655
190: ok 22656
190: ok 22657
190: ok 22658
190: ok 22659
190: ok 22660
190: ok 22661
190: ok 22662
190: ok 22663
190: ok 22664
190: ok 22665
190: ok 22666
190: ok 22667
190: ok 22668
190: ok 22669
190: ok 22670
190: ok 22671
190: ok 22672
190: ok 22673
190: ok 22674
190: ok 22675
190: ok 22676
190: ok 22677
190: ok 22678
190: ok 22679
190: ok 22680
190: ok 22681
190: ok 22682
190: ok 22683
190: ok 22684
190: ok 22685
190: ok 22686
190: ok 22687
190: ok 22688
190: ok 22689
190: ok 22690
190: ok 22691
190: ok 22692
190: ok 22693
190: ok 22694
190: ok 22695
190: ok 22696
190: ok 22697
190: ok 22698
190: ok 22699
190: ok 22700
190: ok 22701
190: ok 22702
190: ok 22703
190: ok 22704
190: ok 22705
190: ok 22706
190: ok 22707
190: ok 22708
190: ok 22709
190: ok 22710
190: ok 22711
190: ok 22712
190: ok 22713
190: ok 22714
190: ok 22715
190: ok 22716
190: ok 22717
190: ok 22718
190: ok 22719
190: ok 22720
190: ok 22721
190: ok 22722
190: ok 22723
190: ok 22724
190: ok 22725
190: ok 22726
190: ok 22727
190: ok 22728
190: ok 22729
190: ok 22730
190: ok 22731
190: ok 22732
190: ok 22733
190: ok 22734
190: ok 22735
190: ok 22736
190: ok 22737
190: ok 22738
190: ok 22739
190: ok 22740
190: ok 22741
190: ok 22742
190: ok 22743
190: ok 22744
190: ok 22745
190: ok 22746
190: ok 22747
190: ok 22748
190: ok 22749
190: ok 22750
190: ok 22751
190: ok 22752
190: ok 22753
190: ok 22754
190: ok 22755
190: ok 22756
190: ok 22757
190: ok 22758
190: ok 22759
190: ok 22760
190: ok 22761
190: ok 22762
190: ok 22763
190: ok 22764
190: ok 22765
190: ok 22766
190: ok 22767
190: ok 22768
190: ok 22769
190: ok 22770
190: ok 22771
190: ok 22772
190: ok 22773
190: ok 22774
190: ok 22775
190: ok 22776
190: ok 22777
190: ok 22778
190: ok 22779
190: ok 22780
190: ok 22781
190: ok 22782
190: ok 22783
190: ok 22784
190: ok 22785
190: ok 22786
190: ok 22787
190: ok 22788
190: ok 22789
190: ok 22790
190: ok 22791
190: ok 22792
190: ok 22793
190: ok 22794
190: ok 22795
190: ok 22796
190: ok 22797
190: ok 22798
190: ok 22799
190: ok 22800
190: ok 22801
190: ok 22802
190: ok 22803
190: ok 22804
190: ok 22805
190: ok 22806
190: ok 22807
190: ok 22808
190: ok 22809
190: ok 22810
190: ok 22811
190: ok 22812
190: ok 22813
190: ok 22814
190: ok 22815
190: ok 22816
190: ok 22817
190: ok 22818
190: ok 22819
190: ok 22820
190: ok 22821
190: ok 22822
190: ok 22823
190: ok 22824
190: ok 22825
190: ok 22826
190: ok 22827
190: ok 22828
190: ok 22829
190: ok 22830
190: ok 22831
190: ok 22832
190: ok 22833
190: ok 22834
190: ok 22835
190: ok 22836
190: ok 22837
190: ok 22838
190: ok 22839
190: ok 22840
190: ok 22841
190: ok 22842
190: ok 22843
190: ok 22844
190: ok 22845
190: ok 22846
190: ok 22847
190: ok 22848
190: ok 22849
190: ok 22850
190: ok 22851
190: ok 22852
190: ok 22853
190: ok 22854
190: ok 22855
190: ok 22856
190: ok 22857
190: ok 22858
190: ok 22859
190: ok 22860
190: ok 22861
190: ok 22862
190: ok 22863
190: ok 22864
190: ok 22865
190: ok 22866
190: ok 22867
190: ok 22868
190: ok 22869
190: ok 22870
190: ok 22871
190: ok 22872
190: ok 22873
190: ok 22874
190: ok 22875
190: ok 22876
190: ok 22877
190: ok 22878
190: ok 22879
190: ok 22880
190: ok 22881
190: ok 22882
190: ok 22883
190: ok 22884
190: ok 22885
190: ok 22886
190: ok 22887
190: ok 22888
190: ok 22889
190: ok 22890
190: ok 22891
190: ok 22892
190: ok 22893
190: ok 22894
190: ok 22895
190: ok 22896
190: ok 22897
190: ok 22898
190: ok 22899
190: ok 22900
190: ok 22901
190: ok 22902
190: ok 22903
190: ok 22904
190: ok 22905
190: ok 22906
190: ok 22907
190: ok 22908
190: ok 22909
190: ok 22910
190: ok 22911
190: ok 22912
190: ok 22913
190: ok 22914
190: ok 22915
190: ok 22916
190: ok 22917
190: ok 22918
190: ok 22919
190: ok 22920
190: ok 22921
190: ok 22922
190: ok 22923
190: ok 22924
190: ok 22925
190: ok 22926
190: ok 22927
190: ok 22928
190: ok 22929
190: ok 22930
190: ok 22931
190: ok 22932
190: ok 22933
190: ok 22934
190: ok 22935
190: ok 22936
190: ok 22937
190: ok 22938
190: ok 22939
190: ok 22940
190: ok 22941
190: ok 22942
190: ok 22943
190: ok 22944
190: ok 22945
190: ok 22946
190: ok 22947
190: ok 22948
190: ok 22949
190: ok 22950
190: ok 22951
190: ok 22952
190: ok 22953
190: ok 22954
190: ok 22955
190: ok 22956
190: ok 22957
190: ok 22958
190: ok 22959
190: ok 22960
190: ok 22961
190: ok 22962
190: ok 22963
190: ok 22964
190: ok 22965
190: ok 22966
190: ok 22967
190: ok 22968
190: ok 22969
190: ok 22970
190: ok 22971
190: ok 22972
190: ok 22973
190: ok 22974
190: ok 22975
190: ok 22976
190: ok 22977
190: ok 22978
190: ok 22979
190: ok 22980
190: ok 22981
190: ok 22982
190: ok 22983
190: ok 22984
190: ok 22985
190: ok 22986
190: ok 22987
190: ok 22988
190: ok 22989
190: ok 22990
190: ok 22991
190: ok 22992
190: ok 22993
190: ok 22994
190: ok 22995
190: ok 22996
190: ok 22997
190: ok 22998
190: ok 22999
190: ok 23000
190: ok 23001
190: ok 23002
190: ok 23003
190: ok 23004
190: ok 23005
190: ok 23006
190: ok 23007
190: ok 23008
190: ok 23009
190: ok 23010
190: ok 23011
190: ok 23012
190: ok 23013
190: ok 23014
190: ok 23015
190: ok 23016
190: ok 23017
190: ok 23018
190: ok 23019
190: ok 23020
190: ok 23021
190: ok 23022
190: ok 23023
190: ok 23024
190: ok 23025
190: ok 23026
190: ok 23027
190: ok 23028
190: ok 23029
190: ok 23030
190: ok 23031
190: ok 23032
190: ok 23033
190: ok 23034
190: ok 23035
190: ok 23036
190: ok 23037
190: ok 23038
190: ok 23039
190: ok 23040
190: ok 23041
190: ok 23042
190: ok 23043
190: ok 23044
190: ok 23045
190: ok 23046
190: ok 23047
190: ok 23048
190: ok 23049
190: ok 23050
190: ok 23051
190: ok 23052
190: ok 23053
190: ok 23054
190: ok 23055
190: ok 23056
190: ok 23057
190: ok 23058
190: ok 23059
190: ok 23060
190: ok 23061
190: ok 23062
190: ok 23063
190: ok 23064
190: ok 23065
190: ok 23066
190: ok 23067
190: ok 23068
190: ok 23069
190: ok 23070
190: ok 23071
190: ok 23072
190: ok 23073
190: ok 23074
190: ok 23075
190: ok 23076
190: ok 23077
190: ok 23078
190: ok 23079
190: ok 23080
190: ok 23081
190: ok 23082
190: ok 23083
190: ok 23084
190: ok 23085
190: ok 23086
190: ok 23087
190: ok 23088
190: ok 23089
190: ok 23090
190: ok 23091
190: ok 23092
190: ok 23093
190: ok 23094
190: ok 23095
190: ok 23096
190: ok 23097
190: ok 23098
190: ok 23099
190: ok 23100
190: ok 23101
190: ok 23102
190: ok 23103
190: ok 23104
190: ok 23105
190: ok 23106
190: ok 23107
190: ok 23108
190: ok 23109
190: ok 23110
190: ok 23111
190: ok 23112
190: ok 23113
190: ok 23114
190: ok 23115
190: ok 23116
190: ok 23117
190: ok 23118
190: ok 23119
190: ok 23120
190: ok 23121
190: ok 23122
190: ok 23123
190: ok 23124
190: ok 23125
190: ok 23126
190: ok 23127
190: ok 23128
190: ok 23129
190: ok 23130
190: ok 23131
190: ok 23132
190: ok 23133
190: ok 23134
190: ok 23135
190: ok 23136
190: ok 23137
190: ok 23138
190: ok 23139
190: ok 23140
190: ok 23141
190: ok 23142
190: ok 23143
190: ok 23144
190: ok 23145
190: ok 23146
190: ok 23147
190: ok 23148
190: ok 23149
190: ok 23150
190: ok 23151
190: ok 23152
190: ok 23153
190: ok 23154
190: ok 23155
190: ok 23156
190: ok 23157
190: ok 23158
190: ok 23159
190: ok 23160
190: ok 23161
190: ok 23162
190: ok 23163
190: ok 23164
190: ok 23165
190: ok 23166
190: ok 23167
190: ok 23168
190: ok 23169
190: ok 23170
190: ok 23171
190: ok 23172
190: ok 23173
190: ok 23174
190: ok 23175
190: ok 23176
190: ok 23177
190: ok 23178
190: ok 23179
190: ok 23180
190: ok 23181
190: ok 23182
190: ok 23183
190: ok 23184
190: ok 23185
190: ok 23186
190: ok 23187
190: ok 23188
190: ok 23189
190: ok 23190
190: ok 23191
190: ok 23192
190: ok 23193
190: ok 23194
190: ok 23195
190: ok 23196
190: ok 23197
190: ok 23198
190: ok 23199
190: ok 23200
190: ok 23201
190: ok 23202
190: ok 23203
190: ok 23204
190: ok 23205
190: ok 23206
190: ok 23207
190: ok 23208
190: ok 23209
190: ok 23210
190: ok 23211
190: ok 23212
190: ok 23213
190: ok 23214
190: ok 23215
190: ok 23216
190: ok 23217
190: ok 23218
190: ok 23219
190: ok 23220
190: ok 23221
190: ok 23222
190: ok 23223
190: ok 23224
190: ok 23225
190: ok 23226
190: ok 23227
190: ok 23228
190: ok 23229
190: ok 23230
190: ok 23231
190: ok 23232
190: ok 23233
190: ok 23234
190: ok 23235
190: ok 23236
190: ok 23237
190: ok 23238
190: ok 23239
190: ok 23240
190: ok 23241
190: ok 23242
190: ok 23243
190: ok 23244
190: ok 23245
190: ok 23246
190: ok 23247
190: ok 23248
190: ok 23249
190: ok 23250
190: ok 23251
190: ok 23252
190: ok 23253
190: ok 23254
190: ok 23255
190: ok 23256
190: ok 23257
190: ok 23258
190: ok 23259
190: ok 23260
190: ok 23261
190: ok 23262
190: ok 23263
190: ok 23264
190: ok 23265
190: ok 23266
190: ok 23267
190: ok 23268
190: ok 23269
190: ok 23270
190: ok 23271
190: ok 23272
190: ok 23273
190: ok 23274
190: ok 23275
190: ok 23276
190: ok 23277
190: ok 23278
190: ok 23279
190: ok 23280
190: ok 23281
190: ok 23282
190: ok 23283
190: ok 23284
190: ok 23285
190: ok 23286
190: ok 23287
190: ok 23288
190: ok 23289
190: ok 23290
190: ok 23291
190: ok 23292
190: ok 23293
190: ok 23294
190: ok 23295
190: ok 23296
190: ok 23297
190: ok 23298
190: ok 23299
190: ok 23300
190: ok 23301
190: ok 23302
190: ok 23303
190: ok 23304
190: ok 23305
190: ok 23306
190: ok 23307
190: ok 23308
190: ok 23309
190: ok 23310
190: ok 23311
190: ok 23312
190: ok 23313
190: ok 23314
190: ok 23315
190: ok 23316
190: ok 23317
190: ok 23318
190: ok 23319
190: ok 23320
190: ok 23321
190: ok 23322
190: ok 23323
190: ok 23324
190: ok 23325
190: ok 23326
190: ok 23327
190: ok 23328
190: ok 23329
190: ok 23330
190: ok 23331
190: ok 23332
190: ok 23333
190: ok 23334
190: ok 23335
190: ok 23336
190: ok 23337
190: ok 23338
190: ok 23339
190: ok 23340
190: ok 23341
190: ok 23342
190: ok 23343
190: ok 23344
190: ok 23345
190: ok 23346
190: ok 23347
190: ok 23348
190: ok 23349
190: ok 23350
190: ok 23351
190: ok 23352
190: ok 23353
190: ok 23354
190: ok 23355
190: ok 23356
190: ok 23357
190: ok 23358
190: ok 23359
190: ok 23360
190: ok 23361
190: ok 23362
190: ok 23363
190: ok 23364
190: ok 23365
190: ok 23366
190: ok 23367
190: ok 23368
190: ok 23369
190: ok 23370
190: ok 23371
190: ok 23372
190: ok 23373
190: ok 23374
190: ok 23375
190: ok 23376
190: ok 23377
190: ok 23378
190: ok 23379
190: ok 23380
190: ok 23381
190: ok 23382
190: ok 23383
190: ok 23384
190: ok 23385
190: ok 23386
190: ok 23387
190: ok 23388
190: ok 23389
190: ok 23390
190: ok 23391
190: ok 23392
190: ok 23393
190: ok 23394
190: ok 23395
190: ok 23396
190: ok 23397
190: ok 23398
190: ok 23399
190: ok 23400
190: ok 23401
190: ok 23402
190: ok 23403
190: ok 23404
190: ok 23405
190: ok 23406
190: ok 23407
190: ok 23408
190: ok 23409
190: ok 23410
190: ok 23411
190: ok 23412
190: ok 23413
190: ok 23414
190: ok 23415
190: ok 23416
190: ok 23417
190: ok 23418
190: ok 23419
190: ok 23420
190: ok 23421
190: ok 23422
190: ok 23423
190: ok 23424
190: ok 23425
190: ok 23426
190: ok 23427
190: ok 23428
190: ok 23429
190: ok 23430
190: ok 23431
190: ok 23432
190: ok 23433
190: ok 23434
190: ok 23435
190: ok 23436
190: ok 23437
190: ok 23438
190: ok 23439
190: ok 23440
190: ok 23441
190: ok 23442
190: ok 23443
190: ok 23444
190: ok 23445
190: ok 23446
190: ok 23447
190: ok 23448
190: ok 23449
190: ok 23450
190: ok 23451
190: ok 23452
190: ok 23453
190: ok 23454
190: ok 23455
190: ok 23456
190: ok 23457
190: ok 23458
190: ok 23459
190: ok 23460
190: ok 23461
190: ok 23462
190: ok 23463
190: ok 23464
190: ok 23465
190: ok 23466
190: ok 23467
190: ok 23468
190: ok 23469
190: ok 23470
190: ok 23471
190: ok 23472
190: ok 23473
190: ok 23474
190: ok 23475
190: ok 23476
190: ok 23477
190: ok 23478
190: ok 23479
190: ok 23480
190: ok 23481
190: ok 23482
190: ok 23483
190: ok 23484
190: ok 23485
190: ok 23486
190: ok 23487
190: ok 23488
190: ok 23489
190: ok 23490
190: ok 23491
190: ok 23492
190: ok 23493
190: ok 23494
190: ok 23495
190: ok 23496
190: ok 23497
190: ok 23498
190: ok 23499
190: ok 23500
190: ok 23501
190: ok 23502
190: ok 23503
190: ok 23504
190: ok 23505
190: ok 23506
190: ok 23507
190: ok 23508
190: ok 23509
190: ok 23510
190: ok 23511
190: ok 23512
190: ok 23513
190: ok 23514
190: ok 23515
190: ok 23516
190: ok 23517
190: ok 23518
190: ok 23519
190: ok 23520
190: ok 23521
190: ok 23522
190: ok 23523
190: ok 23524
190: ok 23525
190: ok 23526
190: ok 23527
190: ok 23528
190: ok 23529
190: ok 23530
190: ok 23531
190: ok 23532
190: ok 23533
190: ok 23534
190: ok 23535
190: ok 23536
190: ok 23537
190: ok 23538
190: ok 23539
190: ok 23540
190: ok 23541
190: ok 23542
190: ok 23543
190: ok 23544
190: ok 23545
190: ok 23546
190: ok 23547
190: ok 23548
190: ok 23549
190: ok 23550
190: ok 23551
190: ok 23552
190: ok 23553
190: ok 23554
190: ok 23555
190: ok 23556
190: ok 23557
190: ok 23558
190: ok 23559
190: ok 23560
190: ok 23561
190: ok 23562
190: ok 23563
190: ok 23564
190: ok 23565
190: ok 23566
190: ok 23567
190: ok 23568
190: ok 23569
190: ok 23570
190: ok 23571
190: ok 23572
190: ok 23573
190: ok 23574
190: ok 23575
190: ok 23576
190: ok 23577
190: ok 23578
190: ok 23579
190: ok 23580
190: ok 23581
190: ok 23582
190: ok 23583
190: ok 23584
190: ok 23585
190: ok 23586
190: ok 23587
190: ok 23588
190: ok 23589
190: ok 23590
190: ok 23591
190: ok 23592
190: ok 23593
190: ok 23594
190: ok 23595
190: ok 23596
190: ok 23597
190: ok 23598
190: ok 23599
190: ok 23600
190: ok 23601
190: ok 23602
190: ok 23603
190: ok 23604
190: ok 23605
190: ok 23606
190: ok 23607
190: ok 23608
190: ok 23609
190: ok 23610
190: ok 23611
190: ok 23612
190: ok 23613
190: ok 23614
190: ok 23615
190: ok 23616
190: ok 23617
190: ok 23618
190: ok 23619
190: ok 23620
190: ok 23621
190: ok 23622
190: ok 23623
190: ok 23624
190: ok 23625
190: ok 23626
190: ok 23627
190: ok 23628
190: ok 23629
190: ok 23630
190: ok 23631
190: ok 23632
190: ok 23633
190: ok 23634
190: ok 23635
190: ok 23636
190: ok 23637
190: ok 23638
190: ok 23639
190: ok 23640
190: ok 23641
190: ok 23642
190: ok 23643
190: ok 23644
190: ok 23645
190: ok 23646
190: ok 23647
190: ok 23648
190: ok 23649
190: ok 23650
190: ok 23651
190: ok 23652
190: ok 23653
190: ok 23654
190: ok 23655
190: ok 23656
190: ok 23657
190: ok 23658
190: ok 23659
190: ok 23660
190: ok 23661
190: ok 23662
190: ok 23663
190: ok 23664
190: ok 23665
190: ok 23666
190: ok 23667
190: ok 23668
190: ok 23669
190: ok 23670
190: ok 23671
190: ok 23672
190: ok 23673
190: ok 23674
190: ok 23675
190: ok 23676
190: ok 23677
190: ok 23678
190: ok 23679
190: ok 23680
190: ok 23681
190: ok 23682
190: ok 23683
190: ok 23684
190: ok 23685
190: ok 23686
190: ok 23687
190: ok 23688
190: ok 23689
190: ok 23690
190: ok 23691
190: ok 23692
190: ok 23693
190: ok 23694
190: ok 23695
190: ok 23696
190: ok 23697
190: ok 23698
190: ok 23699
190: ok 23700
190: ok 23701
190: ok 23702
190: ok 23703
190: ok 23704
190: ok 23705
190: ok 23706
190: ok 23707
190: ok 23708
190: ok 23709
190: ok 23710
190: ok 23711
190: ok 23712
190: ok 23713
190: ok 23714
190: ok 23715
190: ok 23716
190: ok 23717
190: ok 23718
190: ok 23719
190: ok 23720
190: ok 23721
190: ok 23722
190: ok 23723
190: ok 23724
190: ok 23725
190: ok 23726
190: ok 23727
190: ok 23728
190: ok 23729
190: ok 23730
190: ok 23731
190: ok 23732
190: ok 23733
190: ok 23734
190: ok 23735
190: ok 23736
190: ok 23737
190: ok 23738
190: ok 23739
190: ok 23740
190: ok 23741
190: ok 23742
190: ok 23743
190: ok 23744
190: ok 23745
190: ok 23746
190: ok 23747
190: ok 23748
190: ok 23749
190: ok 23750
190: ok 23751
190: ok 23752
190: ok 23753
190: ok 23754
190: ok 23755
190: ok 23756
190: ok 23757
190: ok 23758
190: ok 23759
190: ok 23760
190: ok 23761
190: ok 23762
190: ok 23763
190: ok 23764
190: ok 23765
190: ok 23766
190: ok 23767
190: ok 23768
190: ok 23769
190: ok 23770
190: ok 23771
190: ok 23772
190: ok 23773
190: ok 23774
190: ok 23775
190: ok 23776
190: ok 23777
190: ok 23778
190: ok 23779
190: ok 23780
190: ok 23781
190: ok 23782
190: ok 23783
190: ok 23784
190: ok 23785
190: ok 23786
190: ok 23787
190: ok 23788
190: ok 23789
190: ok 23790
190: ok 23791
190: ok 23792
190: ok 23793
190: ok 23794
190: ok 23795
190: ok 23796
190: ok 23797
190: ok 23798
190: ok 23799
190: ok 23800
190: ok 23801
190: ok 23802
190: ok 23803
190: ok 23804
190: ok 23805
190: ok 23806
190: ok 23807
190: ok 23808
190: ok 23809
190: ok 23810
190: ok 23811
190: ok 23812
190: ok 23813
190: ok 23814
190: ok 23815
190: ok 23816
190: ok 23817
190: ok 23818
190: ok 23819
190: ok 23820
190: ok 23821
190: ok 23822
190: ok 23823
190: ok 23824
190: ok 23825
190: ok 23826
190: ok 23827
190: ok 23828
190: ok 23829
190: ok 23830
190: ok 23831
190: ok 23832
190: ok 23833
190: ok 23834
190: ok 23835
190: ok 23836
190: ok 23837
190: ok 23838
190: ok 23839
190: ok 23840
190: ok 23841
190: ok 23842
190: ok 23843
190: ok 23844
190: ok 23845
190: ok 23846
190: ok 23847
190: ok 23848
190: ok 23849
190: ok 23850
190: ok 23851
190: ok 23852
190: ok 23853
190: ok 23854
190: ok 23855
190: ok 23856
190: ok 23857
190: ok 23858
190: ok 23859
190: ok 23860
190: ok 23861
190: ok 23862
190: ok 23863
190: ok 23864
190: ok 23865
190: ok 23866
190: ok 23867
190: ok 23868
190: ok 23869
190: ok 23870
190: ok 23871
190: ok 23872
190: ok 23873
190: ok 23874
190: ok 23875
190: ok 23876
190: ok 23877
190: ok 23878
190: ok 23879
190: ok 23880
190: ok 23881
190: ok 23882
190: ok 23883
190: ok 23884
190: ok 23885
190: ok 23886
190: ok 23887
190: ok 23888
190: ok 23889
190: ok 23890
190: ok 23891
190: ok 23892
190: ok 23893
190: ok 23894
190: ok 23895
190: ok 23896
190: ok 23897
190: ok 23898
190: ok 23899
190: ok 23900
190: ok 23901
190: ok 23902
190: ok 23903
190: ok 23904
190: ok 23905
190: ok 23906
190: ok 23907
190: ok 23908
190: ok 23909
190: ok 23910
190: ok 23911
190: ok 23912
190: ok 23913
190: ok 23914
190: ok 23915
190: ok 23916
190: ok 23917
190: ok 23918
190: ok 23919
190: ok 23920
190: ok 23921
190: ok 23922
190: ok 23923
190: ok 23924
190: ok 23925
190: ok 23926
190: ok 23927
190: ok 23928
190: ok 23929
190: ok 23930
190: ok 23931
190: ok 23932
190: ok 23933
190: ok 23934
190: ok 23935
190: ok 23936
190: ok 23937
190: ok 23938
190: ok 23939
190: ok 23940
190: ok 23941
190: ok 23942
190: ok 23943
190: ok 23944
190: ok 23945
190: ok 23946
190: ok 23947
190: ok 23948
190: ok 23949
190: ok 23950
190: ok 23951
190: ok 23952
190: ok 23953
190: ok 23954
190: ok 23955
190: ok 23956
190: ok 23957
190: ok 23958
190: ok 23959
190: ok 23960
190: ok 23961
190: ok 23962
190: ok 23963
190: ok 23964
190: ok 23965
190: ok 23966
190: ok 23967
190: ok 23968
190: ok 23969
190: ok 23970
190: ok 23971
190: ok 23972
190: ok 23973
190: ok 23974
190: ok 23975
190: ok 23976
190: ok 23977
190: ok 23978
190: ok 23979
190: ok 23980
190: ok 23981
190: ok 23982
190: ok 23983
190: ok 23984
190: ok 23985
190: ok 23986
190: ok 23987
190: ok 23988
190: ok 23989
190: ok 23990
190: ok 23991
190: ok 23992
190: ok 23993
190: ok 23994
190: ok 23995
190: ok 23996
190: ok 23997
190: ok 23998
190: ok 23999
190: ok 24000
190: ok 24001
190: ok 24002
190: ok 24003
190: ok 24004
190: ok 24005
190: ok 24006
190: ok 24007
190: ok 24008
190: ok 24009
190: ok 24010
190: ok 24011
190: ok 24012
190: ok 24013
190: ok 24014
190: ok 24015
190: ok 24016
190: ok 24017
190: ok 24018
190: ok 24019
190: ok 24020
190: ok 24021
190: ok 24022
190: ok 24023
190: ok 24024
190: ok 24025
190: ok 24026
190: ok 24027
190: ok 24028
190: ok 24029
190: ok 24030
190: ok 24031
190: ok 24032
190: ok 24033
190: ok 24034
190: ok 24035
190: ok 24036
190: ok 24037
190: ok 24038
190: ok 24039
190: ok 24040
190: ok 24041
190: ok 24042
190: ok 24043
190: ok 24044
190: ok 24045
190: ok 24046
190: ok 24047
190: ok 24048
190: ok 24049
190: ok 24050
190: ok 24051
190: ok 24052
190: ok 24053
190: ok 24054
190: ok 24055
190: ok 24056
190: ok 24057
190: ok 24058
190: ok 24059
190: ok 24060
190: ok 24061
190: ok 24062
190: ok 24063
190: ok 24064
190: ok 24065
190: ok 24066
190: ok 24067
190: ok 24068
190: ok 24069
190: ok 24070
190: ok 24071
190: ok 24072
190: ok 24073
190: ok 24074
190: ok 24075
190: ok 24076
190: ok 24077
190: ok 24078
190: ok 24079
190: ok 24080
190: ok 24081
190: ok 24082
190: ok 24083
190: ok 24084
190: ok 24085
190: ok 24086
190: ok 24087
190: ok 24088
190: ok 24089
190: ok 24090
190: ok 24091
190: ok 24092
190: ok 24093
190: ok 24094
190: ok 24095
190: ok 24096
190: ok 24097
190: ok 24098
190: ok 24099
190: ok 24100
190: ok 24101
190: ok 24102
190: ok 24103
190: ok 24104
190: ok 24105
190: ok 24106
190: ok 24107
190: ok 24108
190: ok 24109
190: ok 24110
190: ok 24111
190: ok 24112
190: ok 24113
190: ok 24114
190: ok 24115
190: ok 24116
190: ok 24117
190: ok 24118
190: ok 24119
190: ok 24120
190: ok 24121
190: ok 24122
190: ok 24123
190: ok 24124
190: ok 24125
190: ok 24126
190: ok 24127
190: ok 24128
190: ok 24129
190: ok 24130
190: ok 24131
190: ok 24132
190: ok 24133
190: ok 24134
190: ok 24135
190: ok 24136
190: ok 24137
190: ok 24138
190: ok 24139
190: ok 24140
190: ok 24141
190: ok 24142
190: ok 24143
190: ok 24144
190: ok 24145
190: ok 24146
190: ok 24147
190: ok 24148
190: ok 24149
190: ok 24150
190: ok 24151
190: ok 24152
190: ok 24153
190: ok 24154
190: ok 24155
190: ok 24156
190: ok 24157
190: ok 24158
190: ok 24159
190: ok 24160
190: ok 24161
190: ok 24162
190: ok 24163
190: ok 24164
190: ok 24165
190: ok 24166
190: ok 24167
190: ok 24168
190: ok 24169
190: ok 24170
190: ok 24171
190: ok 24172
190: ok 24173
190: ok 24174
190: ok 24175
190: ok 24176
190: ok 24177
190: ok 24178
190: ok 24179
190: ok 24180
190: ok 24181
190: ok 24182
190: ok 24183
190: ok 24184
190: ok 24185
190: ok 24186
190: ok 24187
190: ok 24188
190: ok 24189
190: ok 24190
190: ok 24191
190: ok 24192
190: ok 24193
190: ok 24194
190: ok 24195
190: ok 24196
190: ok 24197
190: ok 24198
190: ok 24199
190: ok 24200
190: ok 24201
190: ok 24202
190: ok 24203
190: ok 24204
190: ok 24205
190: ok 24206
190: ok 24207
190: ok 24208
190: ok 24209
190: ok 24210
190: ok 24211
190: ok 24212
190: ok 24213
190: ok 24214
190: ok 24215
190: ok 24216
190: ok 24217
190: ok 24218
190: ok 24219
190: ok 24220
190: ok 24221
190: ok 24222
190: ok 24223
190: ok 24224
190: ok 24225
190: ok 24226
190: ok 24227
190: ok 24228
190: ok 24229
190: ok 24230
190: ok 24231
190: ok 24232
190: ok 24233
190: ok 24234
190: ok 24235
190: ok 24236
190: ok 24237
190: ok 24238
190: ok 24239
190: ok 24240
190: ok 24241
190: ok 24242
190: ok 24243
190: ok 24244
190: ok 24245
190: ok 24246
190: ok 24247
190: ok 24248
190: ok 24249
190: ok 24250
190: ok 24251
190: ok 24252
190: ok 24253
190: ok 24254
190: ok 24255
190: ok 24256
190: ok 24257
190: ok 24258
190: ok 24259
190: ok 24260
190: ok 24261
190: ok 24262
190: ok 24263
190: ok 24264
190: ok 24265
190: ok 24266
190: ok 24267
190: ok 24268
190: ok 24269
190: ok 24270
190: ok 24271
190: ok 24272
190: ok 24273
190: ok 24274
190: ok 24275
190: ok 24276
190: ok 24277
190: ok 24278
190: ok 24279
190: ok 24280
190: ok 24281
190: ok 24282
190: ok 24283
190: ok 24284
190: ok 24285
190: ok 24286
190: ok 24287
190: ok 24288
190: ok 24289
190: ok 24290
190: ok 24291
190: ok 24292
190: ok 24293
190: ok 24294
190: ok 24295
190: ok 24296
190: ok 24297
190: ok 24298
190: ok 24299
190: ok 24300
190: ok 24301
190: ok 24302
190: ok 24303
190: ok 24304
190: ok 24305
190: ok 24306
190: ok 24307
190: ok 24308
190: ok 24309
190: ok 24310
190: ok 24311
190: ok 24312
190: ok 24313
190: ok 24314
190: ok 24315
190: ok 24316
190: ok 24317
190: ok 24318
190: ok 24319
190: ok 24320
190: ok 24321
190: ok 24322
190: ok 24323
190: ok 24324
190: ok 24325
190: ok 24326
190: ok 24327
190: ok 24328
190: ok 24329
190: ok 24330
190: ok 24331
190: ok 24332
190: ok 24333
190: ok 24334
190: ok 24335
190: ok 24336
190: ok 24337
190: ok 24338
190: ok 24339
190: ok 24340
190: ok 24341
190: ok 24342
190: ok 24343
190: ok 24344
190: ok 24345
190: ok 24346
190: ok 24347
190: ok 24348
190: ok 24349
190: ok 24350
190: ok 24351
190: ok 24352
190: ok 24353
190: ok 24354
190: ok 24355
190: ok 24356
190: ok 24357
190: ok 24358
190: ok 24359
190: ok 24360
190: ok 24361
190: ok 24362
190: ok 24363
190: ok 24364
190: ok 24365
190: ok 24366
190: ok 24367
190: ok 24368
190: ok 24369
190: ok 24370
190: ok 24371
190: ok 24372
190: ok 24373
190: ok 24374
190: ok 24375
190: ok 24376
190: ok 24377
190: ok 24378
190: ok 24379
190: ok 24380
190: ok 24381
190: ok 24382
190: ok 24383
190: ok 24384
190: ok 24385
190: ok 24386
190: ok 24387
190: ok 24388
190: ok 24389
190: ok 24390
190: ok 24391
190: ok 24392
190: ok 24393
190: ok 24394
190: ok 24395
190: ok 24396
190: ok 24397
190: ok 24398
190: ok 24399
190: ok 24400
190: ok 24401
190: ok 24402
190: ok 24403
190: ok 24404
190: ok 24405
190: ok 24406
190: ok 24407
190: ok 24408
190: ok 24409
190: ok 24410
190: ok 24411
190: ok 24412
190: ok 24413
190: ok 24414
190: ok 24415
190: ok 24416
190: ok 24417
190: ok 24418
190: ok 24419
190: ok 24420
190: ok 24421
190: ok 24422
190: ok 24423
190: ok 24424
190: ok 24425
190: ok 24426
190: ok 24427
190: ok 24428
190: ok 24429
190: ok 24430
190: ok 24431
190: ok 24432
190: ok 24433
190: ok 24434
190: ok 24435
190: ok 24436
190: ok 24437
190: ok 24438
190: ok 24439
190: ok 24440
190: ok 24441
190: ok 24442
190: ok 24443
190: ok 24444
190: ok 24445
190: ok 24446
190: ok 24447
190: ok 24448
190: ok 24449
190: ok 24450
190: ok 24451
190: ok 24452
190: ok 24453
190: ok 24454
190: ok 24455
190: ok 24456
190: ok 24457
190: ok 24458
190: ok 24459
190: ok 24460
190: ok 24461
190: ok 24462
190: ok 24463
190: ok 24464
190: ok 24465
190: ok 24466
190: ok 24467
190: ok 24468
190: ok 24469
190: ok 24470
190: ok 24471
190: ok 24472
190: ok 24473
190: ok 24474
190: ok 24475
190: ok 24476
190: ok 24477
190: ok 24478
190: ok 24479
190: ok 24480
190: ok 24481
190: ok 24482
190: ok 24483
190: ok 24484
190: ok 24485
190: ok 24486
190: ok 24487
190: ok 24488
190: ok 24489
190: ok 24490
190: ok 24491
190: ok 24492
190: ok 24493
190: ok 24494
190: ok 24495
190: ok 24496
190: ok 24497
190: ok 24498
190: ok 24499
190: ok 24500
190: ok 24501
190: ok 24502
190: ok 24503
190: ok 24504
190: ok 24505
190: ok 24506
190: ok 24507
190: ok 24508
190: ok 24509
190: ok 24510
190: ok 24511
190: ok 24512
190: ok 24513
190: ok 24514
190: ok 24515
190: ok 24516
190: ok 24517
190: ok 24518
190: ok 24519
190: ok 24520
190: ok 24521
190: ok 24522
190: ok 24523
190: ok 24524
190: ok 24525
190: ok 24526
190: ok 24527
190: ok 24528
190: ok 24529
190: ok 24530
190: ok 24531
190: ok 24532
190: ok 24533
190: ok 24534
190: ok 24535
190: ok 24536
190: ok 24537
190: ok 24538
190: ok 24539
190: ok 24540
190: ok 24541
190: ok 24542
190: ok 24543
190: ok 24544
190: ok 24545
190: ok 24546
190: ok 24547
190: ok 24548
190: ok 24549
190: ok 24550
190: ok 24551
190: ok 24552
190: ok 24553
190: ok 24554
190: ok 24555
190: ok 24556
190: ok 24557
190: ok 24558
190: ok 24559
190: ok 24560
190: ok 24561
190: ok 24562
190: ok 24563
190: ok 24564
190: ok 24565
190: ok 24566
190: ok 24567
190: ok 24568
190: ok 24569
190: ok 24570
190: ok 24571
190: ok 24572
190: ok 24573
190: ok 24574
190: ok 24575
190: ok 24576
190: ok 24577
190: ok 24578
190: ok 24579
190: ok 24580
190: ok 24581
190: ok 24582
190: ok 24583
190: ok 24584
190: ok 24585
190: ok 24586
190: ok 24587
190: ok 24588
190: ok 24589
190: ok 24590
190: ok 24591
190: ok 24592
190: ok 24593
190: ok 24594
190: ok 24595
190: ok 24596
190: ok 24597
190: ok 24598
190: ok 24599
190: ok 24600
190: ok 24601
190: ok 24602
190: ok 24603
190: ok 24604
190: ok 24605
190: ok 24606
190: ok 24607
190: ok 24608
190: ok 24609
190: ok 24610
190: ok 24611
190: ok 24612
190: ok 24613
190: ok 24614
190: ok 24615
190: ok 24616
190: ok 24617
190: ok 24618
190: ok 24619
190: ok 24620
190: ok 24621
190: ok 24622
190: ok 24623
190: ok 24624
190: ok 24625
190: ok 24626
190: ok 24627
190: ok 24628
190: ok 24629
190: ok 24630
190: ok 24631
190: ok 24632
190: ok 24633
190: ok 24634
190: ok 24635
190: ok 24636
190: ok 24637
190: ok 24638
190: ok 24639
190: ok 24640
190: ok 24641
190: ok 24642
190: ok 24643
190: ok 24644
190: ok 24645
190: ok 24646
190: ok 24647
190: ok 24648
190: ok 24649
190: ok 24650
190: ok 24651
190: ok 24652
190: ok 24653
190: ok 24654
190: ok 24655
190: ok 24656
190: ok 24657
190: ok 24658
190: ok 24659
190: ok 24660
190: ok 24661
190: ok 24662
190: ok 24663
190: ok 24664
190: ok 24665
190: ok 24666
190: ok 24667
190: ok 24668
190: ok 24669
190: ok 24670
190: ok 24671
190: ok 24672
190: ok 24673
190: ok 24674
190: ok 24675
190: ok 24676
190: ok 24677
190: ok 24678
190: ok 24679
190: ok 24680
190: ok 24681
190: ok 24682
190: ok 24683
190: ok 24684
190: ok 24685
190: ok 24686
190: ok 24687
190: ok 24688
190: ok 24689
190: ok 24690
190: ok 24691
190: ok 24692
190: ok 24693
190: ok 24694
190: ok 24695
190: ok 24696
190: ok 24697
190: ok 24698
190: ok 24699
190: ok 24700
190: ok 24701
190: ok 24702
190: ok 24703
190: ok 24704
190: ok 24705
190: ok 24706
190: ok 24707
190: ok 24708
190: ok 24709
190: ok 24710
190: ok 24711
190: ok 24712
190: ok 24713
190: ok 24714
190: ok 24715
190: ok 24716
190: ok 24717
190: ok 24718
190: ok 24719
190: ok 24720
190: ok 24721
190: ok 24722
190: ok 24723
190: ok 24724
190: ok 24725
190: ok 24726
190: ok 24727
190: ok 24728
190: ok 24729
190: ok 24730
190: ok 24731
190: ok 24732
190: ok 24733
190: ok 24734
190: ok 24735
190: ok 24736
190: ok 24737
190: ok 24738
190: ok 24739
190: ok 24740
190: ok 24741
190: ok 24742
190: ok 24743
190: ok 24744
190: ok 24745
190: ok 24746
190: ok 24747
190: ok 24748
190: ok 24749
190: ok 24750
190: ok 24751
190: ok 24752
190: ok 24753
190: ok 24754
190: ok 24755
190: ok 24756
190: ok 24757
190: ok 24758
190: ok 24759
190: ok 24760
190: ok 24761
190: ok 24762
190: ok 24763
190: ok 24764
190: ok 24765
190: ok 24766
190: ok 24767
190: ok 24768
190: ok 24769
190: ok 24770
190: ok 24771
190: ok 24772
190: ok 24773
190: ok 24774
190: ok 24775
190: ok 24776
190: ok 24777
190: ok 24778
190: ok 24779
190: ok 24780
190: ok 24781
190: ok 24782
190: ok 24783
190: ok 24784
190: ok 24785
190: ok 24786
190: ok 24787
190: ok 24788
190: ok 24789
190: ok 24790
190: ok 24791
190: ok 24792
190: ok 24793
190: ok 24794
190: ok 24795
190: ok 24796
190: ok 24797
190: ok 24798
190: ok 24799
190: ok 24800
190: ok 24801
190: ok 24802
190: ok 24803
190: ok 24804
190: ok 24805
190: ok 24806
190: ok 24807
190: ok 24808
190: ok 24809
190: ok 24810
190: ok 24811
190: ok 24812
190: ok 24813
190: ok 24814
190: ok 24815
190: ok 24816
190: ok 24817
190: ok 24818
190: ok 24819
190: ok 24820
190: ok 24821
190: ok 24822
190: ok 24823
190: ok 24824
190: ok 24825
190: ok 24826
190: ok 24827
190: ok 24828
190: ok 24829
190: ok 24830
190: ok 24831
190: ok 24832
190: ok 24833
190: ok 24834
190: ok 24835
190: ok 24836
190: ok 24837
190: ok 24838
190: ok 24839
190: ok 24840
190: ok 24841
190: ok 24842
190: ok 24843
190: ok 24844
190: ok 24845
190: ok 24846
190: ok 24847
190: ok 24848
190: ok 24849
190: ok 24850
190: ok 24851
190: ok 24852
190: ok 24853
190: ok 24854
190: ok 24855
190: ok 24856
190: ok 24857
190: ok 24858
190: ok 24859
190: ok 24860
190: ok 24861
190: ok 24862
190: ok 24863
190: ok 24864
190: ok 24865
190: ok 24866
190: ok 24867
190: ok 24868
190: ok 24869
190: ok 24870
190: ok 24871
190: ok 24872
190: ok 24873
190: ok 24874
190: ok 24875
190: ok 24876
190: ok 24877
190: ok 24878
190: ok 24879
190: ok 24880
190: ok 24881
190: ok 24882
190: ok 24883
190: ok 24884
190: ok 24885
190: ok 24886
190: ok 24887
190: ok 24888
190: ok 24889
190: ok 24890
190: ok 24891
190: ok 24892
190: ok 24893
190: ok 24894
190: ok 24895
190: ok 24896
190: ok 24897
190: ok 24898
190: ok 24899
190: ok 24900
190: ok 24901
190: ok 24902
190: ok 24903
190: ok 24904
190: ok 24905
190: ok 24906
190: ok 24907
190: ok 24908
190: ok 24909
190: ok 24910
190: ok 24911
190: ok 24912
190: ok 24913
190: ok 24914
190: ok 24915
190: ok 24916
190: ok 24917
190: ok 24918
190: ok 24919
190: ok 24920
190: ok 24921
190: ok 24922
190: ok 24923
190: ok 24924
190: ok 24925
190: ok 24926
190: ok 24927
190: ok 24928
190: ok 24929
190: ok 24930
190: ok 24931
190: ok 24932
190: ok 24933
190: ok 24934
190: ok 24935
190: ok 24936
190: ok 24937
190: ok 24938
190: ok 24939
190: ok 24940
190: ok 24941
190: ok 24942
190: ok 24943
190: ok 24944
190: ok 24945
190: ok 24946
190: ok 24947
190: ok 24948
190: ok 24949
190: ok 24950
190: ok 24951
190: ok 24952
190: ok 24953
190: ok 24954
190: ok 24955
190: ok 24956
190: ok 24957
190: ok 24958
190: ok 24959
190: ok 24960
190: ok 24961
190: ok 24962
190: ok 24963
190: ok 24964
190: ok 24965
190: ok 24966
190: ok 24967
190: ok 24968
190: ok 24969
190: ok 24970
190: ok 24971
190: ok 24972
190: ok 24973
190: ok 24974
190: ok 24975
190: ok 24976
190: ok 24977
190: ok 24978
190: ok 24979
190: ok 24980
190: ok 24981
190: ok 24982
190: ok 24983
190: ok 24984
190: ok 24985
190: ok 24986
190: ok 24987
190: ok 24988
190: ok 24989
190: ok 24990
190: ok 24991
190: ok 24992
190: ok 24993
190: ok 24994
190: ok 24995
190: ok 24996
190: ok 24997
190: ok 24998
190: ok 24999
190: ok 25000
190: ok 25001
190: ok 25002
190: ok 25003
190: ok 25004
190: ok 25005
190: ok 25006
190: ok 25007
190: ok 25008
190: ok 25009
190: ok 25010
190: ok 25011
190: ok 25012
190: ok 25013
190: ok 25014
190: ok 25015
190: ok 25016
190: ok 25017
190: ok 25018
190: ok 25019
190: ok 25020
190: ok 25021
190: ok 25022
190: ok 25023
190: ok 25024
190: ok 25025
190: ok 25026
190: ok 25027
190: ok 25028
190: ok 25029
190: ok 25030
190: ok 25031
190: ok 25032
190: ok 25033
190: ok 25034
190: ok 25035
190: ok 25036
190: ok 25037
190: ok 25038
190: ok 25039
190: ok 25040
190: ok 25041
190: ok 25042
190: ok 25043
190: ok 25044
190: ok 25045
190: ok 25046
190: ok 25047
190: ok 25048
190: ok 25049
190: ok 25050
190: ok 25051
190: ok 25052
190: ok 25053
190: ok 25054
190: ok 25055
190: ok 25056
190: ok 25057
190: ok 25058
190: ok 25059
190: ok 25060
190: ok 25061
190: ok 25062
190: ok 25063
190: ok 25064
190: ok 25065
190: ok 25066
190: ok 25067
190: ok 25068
190: ok 25069
190: ok 25070
190: ok 25071
190: ok 25072
190: ok 25073
190: ok 25074
190: ok 25075
190: ok 25076
190: ok 25077
190: ok 25078
190: ok 25079
190: ok 25080
190: ok 25081
190: ok 25082
190: ok 25083
190: ok 25084
190: ok 25085
190: ok 25086
190: ok 25087
190: ok 25088
190: ok 25089
190: ok 25090
190: ok 25091
190: ok 25092
190: ok 25093
190: ok 25094
190: ok 25095
190: ok 25096
190: ok 25097
190: ok 25098
190: ok 25099
190: ok 25100
190: ok 25101
190: ok 25102
190: ok 25103
190: ok 25104
190: ok 25105
190: ok 25106
190: ok 25107
190: ok 25108
190: ok 25109
190: ok 25110
190: ok 25111
190: ok 25112
190: ok 25113
190: ok 25114
190: ok 25115
190: ok 25116
190: ok 25117
190: ok 25118
190: ok 25119
190: ok 25120
190: ok 25121
190: ok 25122
190: ok 25123
190: ok 25124
190: ok 25125
190: ok 25126
190: ok 25127
190: ok 25128
190: ok 25129
190: ok 25130
190: ok 25131
190: ok 25132
190: ok 25133
190: ok 25134
190: ok 25135
190: ok 25136
190: ok 25137
190: ok 25138
190: ok 25139
190: ok 25140
190: ok 25141
190: ok 25142
190: ok 25143
190: ok 25144
190: ok 25145
190: ok 25146
190: ok 25147
190: ok 25148
190: ok 25149
190: ok 25150
190: ok 25151
190: ok 25152
190: ok 25153
190: ok 25154
190: ok 25155
190: ok 25156
190: ok 25157
190: ok 25158
190: ok 25159
190: ok 25160
190: ok 25161
190: ok 25162
190: ok 25163
190: ok 25164
190: ok 25165
190: ok 25166
190: ok 25167
190: ok 25168
190: ok 25169
190: ok 25170
190: ok 25171
190: ok 25172
190: ok 25173
190: ok 25174
190: ok 25175
190: ok 25176
190: ok 25177
190: ok 25178
190: ok 25179
190: ok 25180
190: ok 25181
190: ok 25182
190: ok 25183
190: ok 25184
190: ok 25185
190: ok 25186
190: ok 25187
190: ok 25188
190: ok 25189
190: ok 25190
190: ok 25191
190: ok 25192
190: ok 25193
190: ok 25194
190: ok 25195
190: ok 25196
190: ok 25197
190: ok 25198
190: ok 25199
190: ok 25200
190: ok 25201
190: ok 25202
190: ok 25203
190: ok 25204
190: ok 25205
190: ok 25206
190: ok 25207
190: ok 25208
190: ok 25209
190: ok 25210
190: ok 25211
190: ok 25212
190: ok 25213
190: ok 25214
190: ok 25215
190: ok 25216
190: ok 25217
190: ok 25218
190: ok 25219
190: ok 25220
190: ok 25221
190: ok 25222
190: ok 25223
190: ok 25224
190: ok 25225
190: ok 25226
190: ok 25227
190: ok 25228
190: ok 25229
190: ok 25230
190: ok 25231
190: ok 25232
190: ok 25233
190: ok 25234
190: ok 25235
190: ok 25236
190: ok 25237
190: ok 25238
190: ok 25239
190: ok 25240
190: ok 25241
190: ok 25242
190: ok 25243
190: ok 25244
190: ok 25245
190: ok 25246
190: ok 25247
190: ok 25248
190: ok 25249
190: ok 25250
190: ok 25251
190: ok 25252
190: ok 25253
190: ok 25254
190: ok 25255
190: ok 25256
190: ok 25257
190: ok 25258
190: ok 25259
190: ok 25260
190: ok 25261
190: ok 25262
190: ok 25263
190: ok 25264
190: ok 25265
190: ok 25266
190: ok 25267
190: ok 25268
190: ok 25269
190: ok 25270
190: ok 25271
190: ok 25272
190: ok 25273
190: ok 25274
190: ok 25275
190: ok 25276
190: ok 25277
190: ok 25278
190: ok 25279
190: ok 25280
190: ok 25281
190: ok 25282
190: ok 25283
190: ok 25284
190: ok 25285
190: ok 25286
190: ok 25287
190: ok 25288
190: ok 25289
190: ok 25290
190: ok 25291
190: ok 25292
190: ok 25293
190: ok 25294
190: ok 25295
190: ok 25296
190: ok 25297
190: ok 25298
190: ok 25299
190: ok 25300
190: ok 25301
190: ok 25302
190: ok 25303
190: ok 25304
190: ok 25305
190: ok 25306
190: ok 25307
190: ok 25308
190: ok 25309
190: ok 25310
190: ok 25311
190: ok 25312
190: ok 25313
190: ok 25314
190: ok 25315
190: ok 25316
190: ok 25317
190: ok 25318
190: ok 25319
190: ok 25320
190: ok 25321
190: ok 25322
190: ok 25323
190: ok 25324
190: ok 25325
190: ok 25326
190: ok 25327
190: ok 25328
190: ok 25329
190: ok 25330
190: ok 25331
190: ok 25332
190: ok 25333
190: ok 25334
190: ok 25335
190: ok 25336
190: ok 25337
190: ok 25338
190: ok 25339
190: ok 25340
190: ok 25341
190: ok 25342
190: ok 25343
190: ok 25344
190: ok 25345
190: ok 25346
190: ok 25347
190: ok 25348
190: ok 25349
190: ok 25350
190: ok 25351
190: ok 25352
190: ok 25353
190: ok 25354
190: ok 25355
190: ok 25356
190: ok 25357
190: ok 25358
190: ok 25359
190: ok 25360
190: ok 25361
190: ok 25362
190: ok 25363
190: ok 25364
190: ok 25365
190: ok 25366
190: ok 25367
190: ok 25368
190: ok 25369
190: ok 25370
190: ok 25371
190: ok 25372
190: ok 25373
190: ok 25374
190: ok 25375
190: ok 25376
190: ok 25377
190: ok 25378
190: ok 25379
190: ok 25380
190: ok 25381
190: ok 25382
190: ok 25383
190: ok 25384
190: ok 25385
190: ok 25386
190: ok 25387
190: ok 25388
190: ok 25389
190: ok 25390
190: ok 25391
190: ok 25392
190: ok 25393
190: ok 25394
190: ok 25395
190: ok 25396
190: ok 25397
190: ok 25398
190: ok 25399
190: ok 25400
190: ok 25401
190: ok 25402
190: ok 25403
190: ok 25404
190: ok 25405
190: ok 25406
190: ok 25407
190: ok 25408
190: ok 25409
190: ok 25410
190: ok 25411
190: ok 25412
190: ok 25413
190: ok 25414
190: ok 25415
190: ok 25416
190: ok 25417
190: ok 25418
190: ok 25419
190: ok 25420
190: ok 25421
190: ok 25422
190: ok 25423
190: ok 25424
190: ok 25425
190: ok 25426
190: ok 25427
190: ok 25428
190: ok 25429
190: ok 25430
190: ok 25431
190: ok 25432
190: ok 25433
190: ok 25434
190: ok 25435
190: ok 25436
190: ok 25437
190: ok 25438
190: ok 25439
190: ok 25440
190: ok 25441
190: ok 25442
190: ok 25443
190: ok 25444
190: ok 25445
190: ok 25446
190: ok 25447
190: ok 25448
190: ok 25449
190: ok 25450
190: ok 25451
190: ok 25452
190: ok 25453
190: ok 25454
190: ok 25455
190: ok 25456
190: ok 25457
190: ok 25458
190: ok 25459
190: ok 25460
190: ok 25461
190: ok 25462
190: ok 25463
190: ok 25464
190: ok 25465
190: ok 25466
190: ok 25467
190: ok 25468
190: ok 25469
190: ok 25470
190: ok 25471
190: ok 25472
190: ok 25473
190: ok 25474
190: ok 25475
190: ok 25476
190: ok 25477
190: ok 25478
190: ok 25479
190: ok 25480
190: ok 25481
190: ok 25482
190: ok 25483
190: ok 25484
190: ok 25485
190: ok 25486
190: ok 25487
190: ok 25488
190: ok 25489
190: ok 25490
190: ok 25491
190: ok 25492
190: ok 25493
190: ok 25494
190: ok 25495
190: ok 25496
190: ok 25497
190: ok 25498
190: ok 25499
190: ok 25500
190: ok 25501
190: ok 25502
190: ok 25503
190: ok 25504
190: ok 25505
190: ok 25506
190: ok 25507
190: ok 25508
190: ok 25509
190: ok 25510
190: ok 25511
190: ok 25512
190: ok 25513
190: ok 25514
190: ok 25515
190: ok 25516
190: ok 25517
190: ok 25518
190: ok 25519
190: ok 25520
190: ok 25521
190: ok 25522
190: ok 25523
190: ok 25524
190: ok 25525
190: ok 25526
190: ok 25527
190: ok 25528
190: ok 25529
190: ok 25530
190: ok 25531
190: ok 25532
190: ok 25533
190: ok 25534
190: ok 25535
190: ok 25536
190: ok 25537
190: ok 25538
190: ok 25539
190: ok 25540
190: ok 25541
190: ok 25542
190: ok 25543
190: ok 25544
190: ok 25545
190: ok 25546
190: ok 25547
190: ok 25548
190: ok 25549
190: ok 25550
190: ok 25551
190: ok 25552
190: ok 25553
190: ok 25554
190: ok 25555
190: ok 25556
190: ok 25557
190: ok 25558
190: ok 25559
190: ok 25560
190: ok 25561
190: ok 25562
190: ok 25563
190: ok 25564
190: ok 25565
190: ok 25566
190: ok 25567
190: ok 25568
190: ok 25569
190: ok 25570
190: ok 25571
190: ok 25572
190: ok 25573
190: ok 25574
190: ok 25575
190: ok 25576
190: ok 25577
190: ok 25578
190: ok 25579
190: ok 25580
190: ok 25581
190: ok 25582
190: ok 25583
190: ok 25584
190: ok 25585
190: ok 25586
190: ok 25587
190: ok 25588
190: ok 25589
190: ok 25590
190: ok 25591
190: ok 25592
190: ok 25593
190: ok 25594
190: ok 25595
190: ok 25596
190: ok 25597
190: ok 25598
190: ok 25599
190: ok 25600
190: ok 25601
190: ok 25602
190: ok 25603
190: ok 25604
190: ok 25605
190: ok 25606
190: ok 25607
190: ok 25608
190: ok 25609
190: ok 25610
190: ok 25611
190: ok 25612
190: ok 25613
190: ok 25614
190: ok 25615
190: ok 25616
190: ok 25617
190: ok 25618
190: ok 25619
190: ok 25620
190: ok 25621
190: ok 25622
190: ok 25623
190: ok 25624
190: ok 25625
190: ok 25626
190: ok 25627
190: ok 25628
190: ok 25629
190: ok 25630
190: ok 25631
190: ok 25632
190: ok 25633
190: ok 25634
190: ok 25635
190: ok 25636
190: ok 25637
190: ok 25638
190: ok 25639
190: ok 25640
190: ok 25641
190: ok 25642
190: ok 25643
190: ok 25644
190: ok 25645
190: ok 25646
190: ok 25647
190: ok 25648
190: ok 25649
190: ok 25650
190: ok 25651
190: ok 25652
190: ok 25653
190: ok 25654
190: ok 25655
190: ok 25656
190: ok 25657
190: ok 25658
190: ok 25659
190: ok 25660
190: ok 25661
190: ok 25662
190: ok 25663
190: ok 25664
190: ok 25665
190: ok 25666
190: ok 25667
190: ok 25668
190: ok 25669
190: ok 25670
190: ok 25671
190: ok 25672
190: ok 25673
190: ok 25674
190: ok 25675
190: ok 25676
190: ok 25677
190: ok 25678
190: ok 25679
190: ok 25680
190: ok 25681
190: ok 25682
190: ok 25683
190: ok 25684
190: ok 25685
190: ok 25686
190: ok 25687
190: ok 25688
190: ok 25689
190: ok 25690
190: ok 25691
190: ok 25692
190: ok 25693
190: ok 25694
190: ok 25695
190: ok 25696
190: ok 25697
190: ok 25698
190: ok 25699
190: ok 25700
190: ok 25701
190: ok 25702
190: ok 25703
190: ok 25704
190: ok 25705
190: ok 25706
190: ok 25707
190: ok 25708
190: ok 25709
190: ok 25710
190: ok 25711
190: ok 25712
190: ok 25713
190: ok 25714
190: ok 25715
190: ok 25716
190: ok 25717
190: ok 25718
190: ok 25719
190: ok 25720
190: ok 25721
190: ok 25722
190: ok 25723
190: ok 25724
190: ok 25725
190: ok 25726
190: ok 25727
190: ok 25728
190: ok 25729
190: ok 25730
190: ok 25731
190: ok 25732
190: ok 25733
190: ok 25734
190: ok 25735
190: ok 25736
190: ok 25737
190: ok 25738
190: ok 25739
190: ok 25740
190: ok 25741
190: ok 25742
190: ok 25743
190: ok 25744
190: ok 25745
190: ok 25746
190: ok 25747
190: ok 25748
190: ok 25749
190: ok 25750
190: ok 25751
190: ok 25752
190: ok 25753
190: ok 25754
190: ok 25755
190: ok 25756
190: ok 25757
190: ok 25758
190: ok 25759
190: ok 25760
190: ok 25761
190: ok 25762
190: ok 25763
190: ok 25764
190: ok 25765
190: ok 25766
190: ok 25767
190: ok 25768
190: ok 25769
190: ok 25770
190: ok 25771
190: ok 25772
190: ok 25773
190: ok 25774
190: ok 25775
190: ok 25776
190: ok 25777
190: ok 25778
190: ok 25779
190: ok 25780
190: ok 25781
190: ok 25782
190: ok 25783
190: ok 25784
190: ok 25785
190: ok 25786
190: ok 25787
190: ok 25788
190: ok 25789
190: ok 25790
190: ok 25791
190: ok 25792
190: ok 25793
190: ok 25794
190: ok 25795
190: ok 25796
190: ok 25797
190: ok 25798
190: ok 25799
190: ok 25800
190: ok 25801
190: ok 25802
190: ok 25803
190: ok 25804
190: ok 25805
190: ok 25806
190: ok 25807
190: ok 25808
190: ok 25809
190: ok 25810
190: ok 25811
190: ok 25812
190: ok 25813
190: ok 25814
190: ok 25815
190: ok 25816
190: ok 25817
190: ok 25818
190: ok 25819
190: ok 25820
190: ok 25821
190: ok 25822
190: ok 25823
190: ok 25824
190: ok 25825
190: ok 25826
190: ok 25827
190: ok 25828
190: ok 25829
190: ok 25830
190: ok 25831
190: ok 25832
190: ok 25833
190: ok 25834
190: ok 25835
190: ok 25836
190: ok 25837
190: ok 25838
190: ok 25839
190: ok 25840
190: ok 25841
190: ok 25842
190: ok 25843
190: ok 25844
190: ok 25845
190: ok 25846
190: ok 25847
190: ok 25848
190: ok 25849
190: ok 25850
190: ok 25851
190: ok 25852
190: ok 25853
190: ok 25854
190: ok 25855
190: ok 25856
190: ok 25857
190: ok 25858
190: ok 25859
190: ok 25860
190: ok 25861
190: ok 25862
190: ok 25863
190: ok 25864
190: ok 25865
190: ok 25866
190: ok 25867
190: ok 25868
190: ok 25869
190: ok 25870
190: ok 25871
190: ok 25872
190: ok 25873
190: ok 25874
190: ok 25875
190: ok 25876
190: ok 25877
190: ok 25878
190: ok 25879
190: ok 25880
190: ok 25881
190: ok 25882
190: ok 25883
190: ok 25884
190: ok 25885
190: ok 25886
190: ok 25887
190: ok 25888
190: ok 25889
190: ok 25890
190: ok 25891
190: ok 25892
190: ok 25893
190: ok 25894
190: ok 25895
190: ok 25896
190: ok 25897
190: ok 25898
190: ok 25899
190: ok 25900
190: ok 25901
190: ok 25902
190: ok 25903
190: ok 25904
190: ok 25905
190: ok 25906
190: ok 25907
190: ok 25908
190: ok 25909
190: ok 25910
190: ok 25911
190: ok 25912
190: ok 25913
190: ok 25914
190: ok 25915
190: ok 25916
190: ok 25917
190: ok 25918
190: ok 25919
190: ok 25920
190: ok 25921
190: ok 25922
190: ok 25923
190: ok 25924
190: ok 25925
190: ok 25926
190: ok 25927
190: ok 25928
190: ok 25929
190: ok 25930
190: ok 25931
190: ok 25932
190: ok 25933
190: ok 25934
190: ok 25935
190: ok 25936
190: ok 25937
190: ok 25938
190: ok 25939
190: ok 25940
190: ok 25941
190: ok 25942
190: ok 25943
190: ok 25944
190: ok 25945
190: ok 25946
190: ok 25947
190: ok 25948
190: ok 25949
190: ok 25950
190: ok 25951
190: ok 25952
190: ok 25953
190: ok 25954
190: ok 25955
190: ok 25956
190: ok 25957
190: ok 25958
190: ok 25959
190: ok 25960
190: ok 25961
190: ok 25962
190: ok 25963
190: ok 25964
190: ok 25965
190: ok 25966
190: ok 25967
190: ok 25968
190: ok 25969
190: ok 25970
190: ok 25971
190: ok 25972
190: ok 25973
190: ok 25974
190: ok 25975
190: ok 25976
190: ok 25977
190: ok 25978
190: ok 25979
190: ok 25980
190: ok 25981
190: ok 25982
190: ok 25983
190: ok 25984
190: ok 25985
190: ok 25986
190: ok 25987
190: ok 25988
190: ok 25989
190: ok 25990
190: ok 25991
190: ok 25992
190: ok 25993
190: ok 25994
190: ok 25995
190: ok 25996
190: ok 25997
190: ok 25998
190: ok 25999
190: ok 26000
190: ok 26001
190: ok 26002
190: ok 26003
190: ok 26004
190: ok 26005
190: ok 26006
190: ok 26007
190: ok 26008
190: ok 26009
190: ok 26010
190: ok 26011
190: ok 26012
190: ok 26013
190: ok 26014
190: ok 26015
190: ok 26016
190: ok 26017
190: ok 26018
190: ok 26019
190: ok 26020
190: ok 26021
190: ok 26022
190: ok 26023
190: ok 26024
190: ok 26025
190: ok 26026
190: ok 26027
190: ok 26028
190: ok 26029
190: ok 26030
190: ok 26031
190: ok 26032
190: ok 26033
190: ok 26034
190: ok 26035
190: ok 26036
190: ok 26037
190: ok 26038
190: ok 26039
190: ok 26040
190: ok 26041
190: ok 26042
190: ok 26043
190: ok 26044
190: ok 26045
190: ok 26046
190: ok 26047
190: ok 26048
190: ok 26049
190: ok 26050
190: ok 26051
190: ok 26052
190: ok 26053
190: ok 26054
190: ok 26055
190: ok 26056
190: ok 26057
190: ok 26058
190: ok 26059
190: ok 26060
190: ok 26061
190: ok 26062
190: ok 26063
190: ok 26064
190: ok 26065
190: ok 26066
190: ok 26067
190: ok 26068
190: ok 26069
190: ok 26070
190: ok 26071
190: ok 26072
190: ok 26073
190: ok 26074
190: ok 26075
190: ok 26076
190: ok 26077
190: ok 26078
190: ok 26079
190: ok 26080
190: ok 26081
190: ok 26082
190: ok 26083
190: ok 26084
190: ok 26085
190: ok 26086
190: ok 26087
190: ok 26088
190: ok 26089
190: ok 26090
190: ok 26091
190: ok 26092
190: ok 26093
190: ok 26094
190: ok 26095
190: ok 26096
190: ok 26097
190: ok 26098
190: ok 26099
190: ok 26100
190: ok 26101
190: ok 26102
190: ok 26103
190: ok 26104
190: ok 26105
190: ok 26106
190: ok 26107
190: ok 26108
190: ok 26109
190: ok 26110
190: ok 26111
190: ok 26112
190: ok 26113
190: ok 26114
190: ok 26115
190: ok 26116
190: ok 26117
190: ok 26118
190: ok 26119
190: ok 26120
190: ok 26121
190: ok 26122
190: ok 26123
190: ok 26124
190: ok 26125
190: ok 26126
190: ok 26127
190: ok 26128
190: ok 26129
190: ok 26130
190: ok 26131
190: ok 26132
190: ok 26133
190: ok 26134
190: ok 26135
190: ok 26136
190: ok 26137
190: ok 26138
190: ok 26139
190: ok 26140
190: ok 26141
190: ok 26142
190: ok 26143
190: ok 26144
190: ok 26145
190: ok 26146
190: ok 26147
190: ok 26148
190: ok 26149
190: ok 26150
190: ok 26151
190: ok 26152
190: ok 26153
190: ok 26154
190: ok 26155
190: ok 26156
190: ok 26157
190: ok 26158
190: ok 26159
190: ok 26160
190: ok 26161
190: ok 26162
190: ok 26163
190: ok 26164
190: ok 26165
190: ok 26166
190: ok 26167
190: ok 26168
190: ok 26169
190: ok 26170
190: ok 26171
190: ok 26172
190: ok 26173
190: ok 26174
190: ok 26175
190: ok 26176
190: ok 26177
190: ok 26178
190: ok 26179
190: ok 26180
190: ok 26181
190: ok 26182
190: ok 26183
190: ok 26184
190: ok 26185
190: ok 26186
190: ok 26187
190: ok 26188
190: ok 26189
190: ok 26190
190: ok 26191
190: ok 26192
190: ok 26193
190: ok 26194
190: ok 26195
190: ok 26196
190: ok 26197
190: ok 26198
190: ok 26199
190: ok 26200
190: ok 26201
190: ok 26202
190: ok 26203
190: ok 26204
190: ok 26205
190: ok 26206
190: ok 26207
190: ok 26208
190: ok 26209
190: ok 26210
190: ok 26211
190: ok 26212
190: ok 26213
190: ok 26214
190: ok 26215
190: ok 26216
190: ok 26217
190: ok 26218
190: ok 26219
190: ok 26220
190: ok 26221
190: ok 26222
190: ok 26223
190: ok 26224
190: ok 26225
190: ok 26226
190: ok 26227
190: ok 26228
190: ok 26229
190: ok 26230
190: ok 26231
190: ok 26232
190: ok 26233
190: ok 26234
190: ok 26235
190: ok 26236
190: ok 26237
190: ok 26238
190: ok 26239
190: ok 26240
190: ok 26241
190: ok 26242
190: ok 26243
190: ok 26244
190: ok 26245
190: ok 26246
190: ok 26247
190: ok 26248
190: ok 26249
190: ok 26250
190: ok 26251
190: ok 26252
190: ok 26253
190: ok 26254
190: ok 26255
190: ok 26256
190: ok 26257
190: ok 26258
190: ok 26259
190: ok 26260
190: ok 26261
190: ok 26262
190: ok 26263
190: ok 26264
190: ok 26265
190: ok 26266
190: ok 26267
190: ok 26268
190: ok 26269
190: ok 26270
190: ok 26271
190: ok 26272
190: ok 26273
190: ok 26274
190: ok 26275
190: ok 26276
190: ok 26277
190: ok 26278
190: ok 26279
190: ok 26280
190: ok 26281
190: ok 26282
190: ok 26283
190: ok 26284
190: ok 26285
190: ok 26286
190: ok 26287
190: ok 26288
190: ok 26289
190: ok 26290
190: ok 26291
190: ok 26292
190: ok 26293
190: ok 26294
190: ok 26295
190: ok 26296
190: ok 26297
190: ok 26298
190: ok 26299
190: ok 26300
190: ok 26301
190: ok 26302
190: ok 26303
190: ok 26304
190: ok 26305
190: ok 26306
190: ok 26307
190: ok 26308
190: ok 26309
190: ok 26310
190: ok 26311
190: ok 26312
190: ok 26313
190: ok 26314
190: ok 26315
190: ok 26316
190: ok 26317
190: ok 26318
190: ok 26319
190: ok 26320
190: ok 26321
190: ok 26322
190: ok 26323
190: ok 26324
190: ok 26325
190: ok 26326
190: ok 26327
190: ok 26328
190: ok 26329
190: ok 26330
190: ok 26331
190: ok 26332
190: ok 26333
190: ok 26334
190: ok 26335
190: ok 26336
190: ok 26337
190: ok 26338
190: ok 26339
190: ok 26340
190: ok 26341
190: ok 26342
190: ok 26343
190: ok 26344
190: ok 26345
190: ok 26346
190: ok 26347
190: ok 26348
190: ok 26349
190: ok 26350
190: ok 26351
190: ok 26352
190: ok 26353
190: ok 26354
190: ok 26355
190: ok 26356
190: ok 26357
190: ok 26358
190: ok 26359
190: ok 26360
190: ok 26361
190: ok 26362
190: ok 26363
190: ok 26364
190: ok 26365
190: ok 26366
190: ok 26367
190: ok 26368
190: ok 26369
190: ok 26370
190: ok 26371
190: ok 26372
190: ok 26373
190: ok 26374
190: ok 26375
190: ok 26376
190: ok 26377
190: ok 26378
190: ok 26379
190: ok 26380
190: ok 26381
190: ok 26382
190: ok 26383
190: ok 26384
190: ok 26385
190: ok 26386
190: ok 26387
190: ok 26388
190: ok 26389
190: ok 26390
190: ok 26391
190: ok 26392
190: ok 26393
190: ok 26394
190: ok 26395
190: ok 26396
190: ok 26397
190: ok 26398
190: ok 26399
190: ok 26400
190: ok 26401
190: ok 26402
190: ok 26403
190: ok 26404
190: ok 26405
190: ok 26406
190: ok 26407
190: ok 26408
190: ok 26409
190: ok 26410
190: ok 26411
190: ok 26412
190: ok 26413
190: ok 26414
190: ok 26415
190: ok 26416
190: ok 26417
190: ok 26418
190: ok 26419
190: ok 26420
190: ok 26421
190: ok 26422
190: ok 26423
190: ok 26424
190: ok 26425
190: ok 26426
190: ok 26427
190: ok 26428
190: ok 26429
190: ok 26430
190: ok 26431
190: ok 26432
190: ok 26433
190: ok 26434
190: ok 26435
190: ok 26436
190: ok 26437
190: ok 26438
190: ok 26439
190: ok 26440
190: ok 26441
190: ok 26442
190: ok 26443
190: ok 26444
190: ok 26445
190: ok 26446
190: ok 26447
190: ok 26448
190: ok 26449
190: ok 26450
190: ok 26451
190: ok 26452
190: ok 26453
190: ok 26454
190: ok 26455
190: ok 26456
190: ok 26457
190: ok 26458
190: ok 26459
190: ok 26460
190: ok 26461
190: ok 26462
190: ok 26463
190: ok 26464
190: ok 26465
190: ok 26466
190: ok 26467
190: ok 26468
190: ok 26469
190: ok 26470
190: ok 26471
190: ok 26472
190: ok 26473
190: ok 26474
190: ok 26475
190: ok 26476
190: ok 26477
190: ok 26478
190: ok 26479
190: ok 26480
190: ok 26481
190: ok 26482
190: ok 26483
190: ok 26484
190: ok 26485
190: ok 26486
190: ok 26487
190: ok 26488
190: ok 26489
190: ok 26490
190: ok 26491
190: ok 26492
190: ok 26493
190: ok 26494
190: ok 26495
190: ok 26496
190: ok 26497
190: ok 26498
190: ok 26499
190: ok 26500
190: ok 26501
190: ok 26502
190: ok 26503
190: ok 26504
190: ok 26505
190: ok 26506
190: ok 26507
190: ok 26508
190: ok 26509
190: ok 26510
190: ok 26511
190: ok 26512
190: ok 26513
190: ok 26514
190: ok 26515
190: ok 26516
190: ok 26517
190: ok 26518
190: ok 26519
190: ok 26520
190: ok 26521
190: ok 26522
190: ok 26523
190: ok 26524
190: ok 26525
190: ok 26526
190: ok 26527
190: ok 26528
190: ok 26529
190: ok 26530
190: ok 26531
190: ok 26532
190: ok 26533
190: ok 26534
190: ok 26535
190: ok 26536
190: ok 26537
190: ok 26538
190: ok 26539
190: ok 26540
190: ok 26541
190: ok 26542
190: ok 26543
190: ok 26544
190: ok 26545
190: ok 26546
190: ok 26547
190: ok 26548
190: ok 26549
190: ok 26550
190: ok 26551
190: ok 26552
190: ok 26553
190: ok 26554
190: ok 26555
190: ok 26556
190: ok 26557
190: ok 26558
190: ok 26559
190: ok 26560
190: ok 26561
190: ok 26562
190: ok 26563
190: ok 26564
190: ok 26565
190: ok 26566
190: ok 26567
190: ok 26568
190: ok 26569
190: ok 26570
190: ok 26571
190: ok 26572
190: ok 26573
190: ok 26574
190: ok 26575
190: ok 26576
190: ok 26577
190: ok 26578
190: ok 26579
190: ok 26580
190: ok 26581
190: ok 26582
190: ok 26583
190: ok 26584
190: ok 26585
190: ok 26586
190: ok 26587
190: ok 26588
190: ok 26589
190: ok 26590
190: ok 26591
190: ok 26592
190: ok 26593
190: ok 26594
190: ok 26595
190: ok 26596
190: ok 26597
190: ok 26598
190: ok 26599
190: ok 26600
190: ok 26601
190: ok 26602
190: ok 26603
190: ok 26604
190: ok 26605
190: ok 26606
190: ok 26607
190: ok 26608
190: ok 26609
190: ok 26610
190: ok 26611
190: ok 26612
190: ok 26613
190: ok 26614
190: ok 26615
190: ok 26616
190: ok 26617
190: ok 26618
190: ok 26619
190: ok 26620
190: ok 26621
190: ok 26622
190: ok 26623
190: ok 26624
190: ok 26625
190: ok 26626
190: ok 26627
190: ok 26628
190: ok 26629
190: ok 26630
190: ok 26631
190: ok 26632
190: ok 26633
190: ok 26634
190: ok 26635
190: ok 26636
190: ok 26637
190: ok 26638
190: ok 26639
190: ok 26640
190: ok 26641
190: ok 26642
190: ok 26643
190: ok 26644
190: ok 26645
190: ok 26646
190: ok 26647
190: ok 26648
190: ok 26649
190: ok 26650
190: ok 26651
190: ok 26652
190: ok 26653
190: ok 26654
190: ok 26655
190: ok 26656
190: ok 26657
190: ok 26658
190: ok 26659
190: ok 26660
190: ok 26661
190: ok 26662
190: ok 26663
190: ok 26664
190: ok 26665
190: ok 26666
190: ok 26667
190: ok 26668
190: ok 26669
190: ok 26670
190: ok 26671
190: ok 26672
190: ok 26673
190: ok 26674
190: ok 26675
190: ok 26676
190: ok 26677
190: ok 26678
190: ok 26679
190: ok 26680
190: ok 26681
190: ok 26682
190: ok 26683
190: ok 26684
190: ok 26685
190: ok 26686
190: ok 26687
190: ok 26688
190: ok 26689
190: ok 26690
190: ok 26691
190: ok 26692
190: ok 26693
190: ok 26694
190: ok 26695
190: ok 26696
190: ok 26697
190: ok 26698
190: ok 26699
190: ok 26700
190: ok 26701
190: ok 26702
190: ok 26703
190: ok 26704
190: ok 26705
190: ok 26706
190: ok 26707
190: ok 26708
190: ok 26709
190: ok 26710
190: ok 26711
190: ok 26712
190: ok 26713
190: ok 26714
190: ok 26715
190: ok 26716
190: ok 26717
190: ok 26718
190: ok 26719
190: ok 26720
190: ok 26721
190: ok 26722
190: ok 26723
190: ok 26724
190: ok 26725
190: ok 26726
190: ok 26727
190: ok 26728
190: ok 26729
190: ok 26730
190: ok 26731
190: ok 26732
190: ok 26733
190: ok 26734
190: ok 26735
190: ok 26736
190: ok 26737
190: ok 26738
190: ok 26739
190: ok 26740
190: ok 26741
190: ok 26742
190: ok 26743
190: ok 26744
190: ok 26745
190: ok 26746
190: ok 26747
190: ok 26748
190: ok 26749
190: ok 26750
190: ok 26751
190: ok 26752
190: ok 26753
190: ok 26754
190: ok 26755
190: ok 26756
190: ok 26757
190: ok 26758
190: ok 26759
190: ok 26760
190: ok 26761
190: ok 26762
190: ok 26763
190: ok 26764
190: ok 26765
190: ok 26766
190: ok 26767
190: ok 26768
190: ok 26769
190: ok 26770
190: ok 26771
190: ok 26772
190: ok 26773
190: ok 26774
190: ok 26775
190: ok 26776
190: ok 26777
190: ok 26778
190: ok 26779
190: ok 26780
190: ok 26781
190: ok 26782
190: ok 26783
190: ok 26784
190: ok 26785
190: ok 26786
190: ok 26787
190: ok 26788
190: ok 26789
190: ok 26790
190: ok 26791
190: ok 26792
190: ok 26793
190: ok 26794
190: ok 26795
190: ok 26796
190: ok 26797
190: ok 26798
190: ok 26799
190: ok 26800
190: ok 26801
190: ok 26802
190: ok 26803
190: ok 26804
190: ok 26805
190: ok 26806
190: ok 26807
190: ok 26808
190: ok 26809
190: ok 26810
190: ok 26811
190: ok 26812
190: ok 26813
190: ok 26814
190: ok 26815
190: ok 26816
190: ok 26817
190: ok 26818
190: ok 26819
190: ok 26820
190: ok 26821
190: ok 26822
190: ok 26823
190: ok 26824
190: ok 26825
190: ok 26826
190: ok 26827
190: ok 26828
190: ok 26829
190: ok 26830
190: ok 26831
190: ok 26832
190: ok 26833
190: ok 26834
190: ok 26835
190: ok 26836
190: ok 26837
190: ok 26838
190: ok 26839
190: ok 26840
190: ok 26841
190: ok 26842
190: ok 26843
190: ok 26844
190: ok 26845
190: ok 26846
190: ok 26847
190: ok 26848
190: ok 26849
190: ok 26850
190: ok 26851
190: ok 26852
190: ok 26853
190: ok 26854
190: ok 26855
190: ok 26856
190: ok 26857
190: ok 26858
190: ok 26859
190: ok 26860
190: ok 26861
190: ok 26862
190: ok 26863
190: ok 26864
190: ok 26865
190: ok 26866
190: ok 26867
190: ok 26868
190: ok 26869
190: ok 26870
190: ok 26871
190: ok 26872
190: ok 26873
190: ok 26874
190: ok 26875
190: ok 26876
190: ok 26877
190: ok 26878
190: ok 26879
190: ok 26880
190: ok 26881
190: ok 26882
190: ok 26883
190: ok 26884
190: ok 26885
190: ok 26886
190: ok 26887
190: ok 26888
190: ok 26889
190: ok 26890
190: ok 26891
190: ok 26892
190: ok 26893
190: ok 26894
190: ok 26895
190: ok 26896
190: ok 26897
190: ok 26898
190: ok 26899
190: ok 26900
190: ok 26901
190: ok 26902
190: ok 26903
190: ok 26904
190: ok 26905
190: ok 26906
190: ok 26907
190: ok 26908
190: ok 26909
190: ok 26910
190: ok 26911
190: ok 26912
190: ok 26913
190: ok 26914
190: ok 26915
190: ok 26916
190: ok 26917
190: ok 26918
190: ok 26919
190: ok 26920
190: ok 26921
190: ok 26922
190: ok 26923
190: ok 26924
190: ok 26925
190: ok 26926
190: ok 26927
190: ok 26928
190: ok 26929
190: ok 26930
190: ok 26931
190: ok 26932
190: ok 26933
190: ok 26934
190: ok 26935
190: ok 26936
190: ok 26937
190: ok 26938
190: ok 26939
190: ok 26940
190: ok 26941
190: ok 26942
190: ok 26943
190: ok 26944
190: ok 26945
190: ok 26946
190: ok 26947
190: ok 26948
190: ok 26949
190: ok 26950
190: ok 26951
190: ok 26952
190: ok 26953
190: ok 26954
190: ok 26955
190: ok 26956
190: ok 26957
190: ok 26958
190: ok 26959
190: ok 26960
190: ok 26961
190: ok 26962
190: ok 26963
190: ok 26964
190: ok 26965
190: ok 26966
190: ok 26967
190: ok 26968
190: ok 26969
190: ok 26970
190: ok 26971
190: ok 26972
190: ok 26973
190: ok 26974
190: ok 26975
190: ok 26976
190: ok 26977
190: ok 26978
190: ok 26979
190: ok 26980
190: ok 26981
190: ok 26982
190: ok 26983
190: ok 26984
190: ok 26985
190: ok 26986
190: ok 26987
190: ok 26988
190: ok 26989
190: ok 26990
190: ok 26991
190: ok 26992
190: ok 26993
190: ok 26994
190: ok 26995
190: ok 26996
190: ok 26997
190: ok 26998
190: ok 26999
190: ok 27000
190: ok 27001
190: ok 27002
190: ok 27003
190: ok 27004
190: ok 27005
190: ok 27006
190: ok 27007
190: ok 27008
190: ok 27009
190: ok 27010
190: ok 27011
190: ok 27012
190: ok 27013
190: ok 27014
190: ok 27015
190: ok 27016
190: ok 27017
190: ok 27018
190: ok 27019
190: ok 27020
190: ok 27021
190: ok 27022
190: ok 27023
190: ok 27024
190: ok 27025
190: ok 27026
190: ok 27027
190: ok 27028
190: ok 27029
190: ok 27030
190: ok 27031
190: ok 27032
190: ok 27033
190: ok 27034
190: ok 27035
190: ok 27036
190: ok 27037
190: ok 27038
190: ok 27039
190: ok 27040
190: ok 27041
190: ok 27042
190: ok 27043
190: ok 27044
190: ok 27045
190: ok 27046
190: ok 27047
190: ok 27048
190: ok 27049
190: ok 27050
190: ok 27051
190: ok 27052
190: ok 27053
190: ok 27054
190: ok 27055
190: ok 27056
190: ok 27057
190: ok 27058
190: ok 27059
190: ok 27060
190: ok 27061
190: ok 27062
190: ok 27063
190: ok 27064
190: ok 27065
190: ok 27066
190: ok 27067
190: ok 27068
190: ok 27069
190: ok 27070
190: ok 27071
190: ok 27072
190: ok 27073
190: ok 27074
190: ok 27075
190: ok 27076
190: ok 27077
190: ok 27078
190: ok 27079
190: ok 27080
190: ok 27081
190: ok 27082
190: ok 27083
190: ok 27084
190: ok 27085
190: ok 27086
190: ok 27087
190: ok 27088
190: ok 27089
190: ok 27090
190: ok 27091
190: ok 27092
190: ok 27093
190: ok 27094
190: ok 27095
190: ok 27096
190: ok 27097
190: ok 27098
190: ok 27099
190: ok 27100
190: ok 27101
190: ok 27102
190: ok 27103
190: ok 27104
190: ok 27105
190: ok 27106
190: ok 27107
190: ok 27108
190: ok 27109
190: ok 27110
190: ok 27111
190: ok 27112
190: ok 27113
190: ok 27114
190: ok 27115
190: ok 27116
190: ok 27117
190: ok 27118
190: ok 27119
190: ok 27120
190: ok 27121
190: ok 27122
190: ok 27123
190: ok 27124
190: ok 27125
190: ok 27126
190: ok 27127
190: ok 27128
190: ok 27129
190: ok 27130
190: ok 27131
190: ok 27132
190: ok 27133
190: ok 27134
190: ok 27135
190: ok 27136
190: ok 27137
190: ok 27138
190: ok 27139
190: ok 27140
190: ok 27141
190: ok 27142
190: ok 27143
190: ok 27144
190: ok 27145
190: ok 27146
190: ok 27147
190: ok 27148
190: ok 27149
190: ok 27150
190: ok 27151
190: ok 27152
190: ok 27153
190: ok 27154
190: ok 27155
190: ok 27156
190: ok 27157
190: ok 27158
190: ok 27159
190: ok 27160
190: ok 27161
190: ok 27162
190: ok 27163
190: ok 27164
190: ok 27165
190: ok 27166
190: ok 27167
190: ok 27168
190: ok 27169
190: ok 27170
190: ok 27171
190: ok 27172
190: ok 27173
190: ok 27174
190: ok 27175
190: ok 27176
190: ok 27177
190: ok 27178
190: ok 27179
190: ok 27180
190: ok 27181
190: ok 27182
190: ok 27183
190: ok 27184
190: ok 27185
190: ok 27186
190: ok 27187
190: ok 27188
190: ok 27189
190: ok 27190
190: ok 27191
190: ok 27192
190: ok 27193
190: ok 27194
190: ok 27195
190: ok 27196
190: ok 27197
190: ok 27198
190: ok 27199
190: ok 27200
190: ok 27201
190: ok 27202
190: ok 27203
190: ok 27204
190: ok 27205
190: ok 27206
190: ok 27207
190: ok 27208
190: ok 27209
190: ok 27210
190: ok 27211
190: ok 27212
190: ok 27213
190: ok 27214
190: ok 27215
190: ok 27216
190: ok 27217
190: ok 27218
190: ok 27219
190: ok 27220
190: ok 27221
190: ok 27222
190: ok 27223
190: ok 27224
190: ok 27225
190: ok 27226
190: ok 27227
190: ok 27228
190: ok 27229
190: ok 27230
190: ok 27231
190: ok 27232
190: ok 27233
190: ok 27234
190: ok 27235
190: ok 27236
190: ok 27237
190: ok 27238
190: ok 27239
190: ok 27240
190: ok 27241
190: ok 27242
190: ok 27243
190: ok 27244
190: ok 27245
190: ok 27246
190: ok 27247
190: ok 27248
190: ok 27249
190: ok 27250
190: ok 27251
190: ok 27252
190: ok 27253
190: ok 27254
190: ok 27255
190: ok 27256
190: ok 27257
190: ok 27258
190: ok 27259
190: ok 27260
190: ok 27261
190: ok 27262
190: ok 27263
190: ok 27264
190: ok 27265
190: ok 27266
190: ok 27267
190: ok 27268
190: ok 27269
190: ok 27270
190: ok 27271
190: ok 27272
190: ok 27273
190: ok 27274
190: ok 27275
190: ok 27276
190: ok 27277
190: ok 27278
190: ok 27279
190: ok 27280
190: ok 27281
190: ok 27282
190: ok 27283
190: ok 27284
190: ok 27285
190: ok 27286
190: ok 27287
190: ok 27288
190: ok 27289
190: ok 27290
190: ok 27291
190: ok 27292
190: ok 27293
190: ok 27294
190: ok 27295
190: ok 27296
190: ok 27297
190: ok 27298
190: ok 27299
190: ok 27300
190: ok 27301
190: ok 27302
190: ok 27303
190: ok 27304
190: ok 27305
190: ok 27306
190: ok 27307
190: ok 27308
190: ok 27309
190: ok 27310
190: ok 27311
190: ok 27312
190: ok 27313
190: ok 27314
190: ok 27315
190: ok 27316
190: ok 27317
190: ok 27318
190: ok 27319
190: ok 27320
190: ok 27321
190: ok 27322
190: ok 27323
190: ok 27324
190: ok 27325
190: ok 27326
190: ok 27327
190: ok 27328
190: ok 27329
190: ok 27330
190: ok 27331
190: ok 27332
190: ok 27333
190: ok 27334
190: ok 27335
190: ok 27336
190: ok 27337
190: ok 27338
190: ok 27339
190: ok 27340
190: ok 27341
190: ok 27342
190: ok 27343
190: ok 27344
190: ok 27345
190: ok 27346
190: ok 27347
190: ok 27348
190: ok 27349
190: ok 27350
190: ok 27351
190: ok 27352
190: ok 27353
190: ok 27354
190: ok 27355
190: ok 27356
190: ok 27357
190: ok 27358
190: ok 27359
190: ok 27360
190: ok 27361
190: ok 27362
190: ok 27363
190: ok 27364
190: ok 27365
190: ok 27366
190: ok 27367
190: ok 27368
190: ok 27369
190: ok 27370
190: ok 27371
190: ok 27372
190: ok 27373
190: ok 27374
190: ok 27375
190: ok 27376
190: ok 27377
190: ok 27378
190: ok 27379
190: ok 27380
190: ok 27381
190: ok 27382
190: ok 27383
190: ok 27384
190: ok 27385
190: ok 27386
190: ok 27387
190: ok 27388
190: ok 27389
190: ok 27390
190: ok 27391
190: ok 27392
190: ok 27393
190: ok 27394
190: ok 27395
190: ok 27396
190: ok 27397
190: ok 27398
190: ok 27399
190: ok 27400
190: ok 27401
190: ok 27402
190: ok 27403
190: ok 27404
190: ok 27405
190: ok 27406
190: ok 27407
190: ok 27408
190: ok 27409
190: ok 27410
190: ok 27411
190: ok 27412
190: ok 27413
190: ok 27414
190: ok 27415
190: ok 27416
190: ok 27417
190: ok 27418
190: ok 27419
190: ok 27420
190: ok 27421
190: ok 27422
190: ok 27423
190: ok 27424
190: ok 27425
190: ok 27426
190: ok 27427
190: ok 27428
190: ok 27429
190: ok 27430
190: ok 27431
190: ok 27432
190: ok 27433
190: ok 27434
190: ok 27435
190: ok 27436
190: ok 27437
190: ok 27438
190: ok 27439
190: ok 27440
190: ok 27441
190: ok 27442
190: ok 27443
190: ok 27444
190: ok 27445
190: ok 27446
190: ok 27447
190: ok 27448
190: ok 27449
190: ok 27450
190: ok 27451
190: ok 27452
190: ok 27453
190: ok 27454
190: ok 27455
190: ok 27456
190: ok 27457
190: ok 27458
190: ok 27459
190: ok 27460
190: ok 27461
190: ok 27462
190: ok 27463
190: ok 27464
190: ok 27465
190: ok 27466
190: ok 27467
190: ok 27468
190: ok 27469
190: ok 27470
190: ok 27471
190: ok 27472
190: ok 27473
190: ok 27474
190: ok 27475
190: ok 27476
190: ok 27477
190: ok 27478
190: ok 27479
190: ok 27480
190: ok 27481
190: ok 27482
190: ok 27483
190: ok 27484
190: ok 27485
190: ok 27486
190: ok 27487
190: ok 27488
190: ok 27489
190: ok 27490
190: ok 27491
190: ok 27492
190: ok 27493
190: ok 27494
190: ok 27495
190: ok 27496
190: ok 27497
190: ok 27498
190: ok 27499
190: ok 27500
190: ok 27501
190: ok 27502
190: ok 27503
190: ok 27504
190: ok 27505
190: ok 27506
190: ok 27507
190: ok 27508
190: ok 27509
190: ok 27510
190: ok 27511
190: ok 27512
190: ok 27513
190: ok 27514
190: ok 27515
190: ok 27516
190: ok 27517
190: ok 27518
190: ok 27519
190: ok 27520
190: ok 27521
190: ok 27522
190: ok 27523
190: ok 27524
190: ok 27525
190: ok 27526
190: ok 27527
190: ok 27528
190: ok 27529
190: ok 27530
190: ok 27531
190: ok 27532
190: ok 27533
190: ok 27534
190: ok 27535
190: ok 27536
190: ok 27537
190: ok 27538
190: ok 27539
190: ok 27540
190: ok 27541
190: ok 27542
190: ok 27543
190: ok 27544
190: ok 27545
190: ok 27546
190: ok 27547
190: ok 27548
190: ok 27549
190: ok 27550
190: ok 27551
190: ok 27552
190: ok 27553
190: ok 27554
190: ok 27555
190: ok 27556
190: ok 27557
190: ok 27558
190: ok 27559
190: ok 27560
190: ok 27561
190: ok 27562
190: ok 27563
190: ok 27564
190: ok 27565
190: ok 27566
190: ok 27567
190: ok 27568
190: ok 27569
190: ok 27570
190: ok 27571
190: ok 27572
190: ok 27573
190: ok 27574
190: ok 27575
190: ok 27576
190: ok 27577
190: ok 27578
190: ok 27579
190: ok 27580
190: ok 27581
190: ok 27582
190: ok 27583
190: ok 27584
190: ok 27585
190: ok 27586
190: ok 27587
190: ok 27588
190: ok 27589
190: ok 27590
190: ok 27591
190: ok 27592
190: ok 27593
190: ok 27594
190: ok 27595
190: ok 27596
190: ok 27597
190: ok 27598
190: ok 27599
190: ok 27600
190: ok 27601
190: ok 27602
190: ok 27603
190: ok 27604
190: ok 27605
190: ok 27606
190: ok 27607
190: ok 27608
190: ok 27609
190: ok 27610
190: ok 27611
190: ok 27612
190: ok 27613
190: ok 27614
190: ok 27615
190: ok 27616
190: ok 27617
190: ok 27618
190: ok 27619
190: ok 27620
190: ok 27621
190: ok 27622
190: ok 27623
190: ok 27624
190: ok 27625
190: ok 27626
190: ok 27627
190: ok 27628
190: ok 27629
190: ok 27630
190: ok 27631
190: ok 27632
190: ok 27633
190: ok 27634
190: ok 27635
190: ok 27636
190: ok 27637
190: ok 27638
190: ok 27639
190: ok 27640
190: ok 27641
190: ok 27642
190: ok 27643
190: ok 27644
190: ok 27645
190: ok 27646
190: ok 27647
190: ok 27648
190: ok 27649
190: ok 27650
190: ok 27651
190: ok 27652
190: ok 27653
190: ok 27654
190: ok 27655
190: ok 27656
190: ok 27657
190: ok 27658
190: ok 27659
190: ok 27660
190: ok 27661
190: ok 27662
190: ok 27663
190: ok 27664
190: ok 27665
190: ok 27666
190: ok 27667
190: ok 27668
190: ok 27669
190: ok 27670
190: ok 27671
190: ok 27672
190: ok 27673
190: ok 27674
190: ok 27675
190: ok 27676
190: ok 27677
190: ok 27678
190: ok 27679
190: ok 27680
190: ok 27681
190: ok 27682
190: ok 27683
190: ok 27684
190: ok 27685
190: ok 27686
190: ok 27687
190: ok 27688
190: ok 27689
190: ok 27690
190: ok 27691
190: ok 27692
190: ok 27693
190: ok 27694
190: ok 27695
190: ok 27696
190: ok 27697
190: ok 27698
190: ok 27699
190: ok 27700
190: ok 27701
190: ok 27702
190: ok 27703
190: ok 27704
190: ok 27705
190: ok 27706
190: ok 27707
190: ok 27708
190: ok 27709
190: ok 27710
190: ok 27711
190: ok 27712
190: ok 27713
190: ok 27714
190: ok 27715
190: ok 27716
190: ok 27717
190: ok 27718
190: ok 27719
190: ok 27720
190: ok 27721
190: ok 27722
190: ok 27723
190: ok 27724
190: ok 27725
190: ok 27726
190: ok 27727
190: ok 27728
190: ok 27729
190: ok 27730
190: ok 27731
190: ok 27732
190: ok 27733
190: ok 27734
190: ok 27735
190: ok 27736
190: ok 27737
190: ok 27738
190: ok 27739
190: ok 27740
190: ok 27741
190: ok 27742
190: ok 27743
190: ok 27744
190: ok 27745
190: ok 27746
190: ok 27747
190: ok 27748
190: ok 27749
190: ok 27750
190: ok 27751
190: ok 27752
190: ok 27753
190: ok 27754
190: ok 27755
190: ok 27756
190: ok 27757
190: ok 27758
190: ok 27759
190: ok 27760
190: ok 27761
190: ok 27762
190: ok 27763
190: ok 27764
190: ok 27765
190: ok 27766
190: ok 27767
190: ok 27768
190: ok 27769
190: ok 27770
190: ok 27771
190: ok 27772
190: ok 27773
190: ok 27774
190: ok 27775
190: ok 27776
190: ok 27777
190: ok 27778
190: ok 27779
190: ok 27780
190: ok 27781
190: ok 27782
190: ok 27783
190: ok 27784
190: ok 27785
190: ok 27786
190: ok 27787
190: ok 27788
190: ok 27789
190: ok 27790
190: ok 27791
190: ok 27792
190: ok 27793
190: ok 27794
190: ok 27795
190: ok 27796
190: ok 27797
190: ok 27798
190: ok 27799
190: ok 27800
190: ok 27801
190: ok 27802
190: ok 27803
190: ok 27804
190: ok 27805
190: ok 27806
190: ok 27807
190: ok 27808
190: ok 27809
190: ok 27810
190: ok 27811
190: ok 27812
190: ok 27813
190: ok 27814
190: ok 27815
190: ok 27816
190: ok 27817
190: ok 27818
190: ok 27819
190: ok 27820
190: ok 27821
190: ok 27822
190: ok 27823
190: ok 27824
190: ok 27825
190: ok 27826
190: ok 27827
190: ok 27828
190: ok 27829
190: ok 27830
190: ok 27831
190: ok 27832
190: ok 27833
190: ok 27834
190: ok 27835
190: ok 27836
190: ok 27837
190: ok 27838
190: ok 27839
190: ok 27840
190: ok 27841
190: ok 27842
190: ok 27843
190: ok 27844
190: ok 27845
190: ok 27846
190: ok 27847
190: ok 27848
190: ok 27849
190: ok 27850
190: ok 27851
190: ok 27852
190: ok 27853
190: ok 27854
190: ok 27855
190: ok 27856
190: ok 27857
190: ok 27858
190: ok 27859
190: ok 27860
190: ok 27861
190: ok 27862
190: ok 27863
190: ok 27864
190: ok 27865
190: ok 27866
190: ok 27867
190: ok 27868
190: ok 27869
190: ok 27870
190: ok 27871
190: ok 27872
190: ok 27873
190: ok 27874
190: ok 27875
190: ok 27876
190: ok 27877
190: ok 27878
190: ok 27879
190: ok 27880
190: ok 27881
190: ok 27882
190: ok 27883
190: ok 27884
190: ok 27885
190: ok 27886
190: ok 27887
190: ok 27888
190: ok 27889
190: ok 27890
190: ok 27891
190: ok 27892
190: ok 27893
190: ok 27894
190: ok 27895
190: ok 27896
190: ok 27897
190: ok 27898
190: ok 27899
190: ok 27900
190: ok 27901
190: ok 27902
190: ok 27903
190: ok 27904
190: ok 27905
190: ok 27906
190: ok 27907
190: ok 27908
190: ok 27909
190: ok 27910
190: ok 27911
190: ok 27912
190: ok 27913
190: ok 27914
190: ok 27915
190: ok 27916
190: ok 27917
190: ok 27918
190: ok 27919
190: ok 27920
190: ok 27921
190: ok 27922
190: ok 27923
190: ok 27924
190: ok 27925
190: ok 27926
190: ok 27927
190: ok 27928
190: ok 27929
190: ok 27930
190: ok 27931
190: ok 27932
190: ok 27933
190: ok 27934
190: ok 27935
190: ok 27936
190: ok 27937
190: ok 27938
190: ok 27939
190: ok 27940
190: ok 27941
190: ok 27942
190: ok 27943
190: ok 27944
190: ok 27945
190: ok 27946
190: ok 27947
190: ok 27948
190: ok 27949
190: ok 27950
190: ok 27951
190: ok 27952
190: ok 27953
190: ok 27954
190: ok 27955
190: ok 27956
190: ok 27957
190: ok 27958
190: ok 27959
190: ok 27960
190: ok 27961
190: ok 27962
190: ok 27963
190: ok 27964
190: ok 27965
190: ok 27966
190: ok 27967
190: ok 27968
190: ok 27969
190: ok 27970
190: ok 27971
190: ok 27972
190: ok 27973
190: ok 27974
190: ok 27975
190: ok 27976
190: ok 27977
190: ok 27978
190: ok 27979
190: ok 27980
190: ok 27981
190: ok 27982
190: ok 27983
190: ok 27984
190: ok 27985
190: ok 27986
190: ok 27987
190: ok 27988
190: ok 27989
190: ok 27990
190: ok 27991
190: ok 27992
190: ok 27993
190: ok 27994
190: ok 27995
190: ok 27996
190: ok 27997
190: ok 27998
190: ok 27999
190: ok 28000
190: ok 28001
190: ok 28002
190: ok 28003
190: ok 28004
190: ok 28005
190: ok 28006
190: ok 28007
190: ok 28008
190: ok 28009
190: ok 28010
190: ok 28011
190: ok 28012
190: ok 28013
190: ok 28014
190: ok 28015
190: ok 28016
190: ok 28017
190: ok 28018
190: ok 28019
190: ok 28020
190: ok 28021
190: ok 28022
190: ok 28023
190: ok 28024
190: ok 28025
190: ok 28026
190: ok 28027
190: ok 28028
190: ok 28029
190: ok 28030
190: ok 28031
190: ok 28032
190: ok 28033
190: ok 28034
190: ok 28035
190: ok 28036
190: ok 28037
190: ok 28038
190: ok 28039
190: ok 28040
190: ok 28041
190: ok 28042
190: ok 28043
190: ok 28044
190: ok 28045
190: ok 28046
190: ok 28047
190: ok 28048
190: ok 28049
190: ok 28050
190: ok 28051
190: ok 28052
190: ok 28053
190: ok 28054
190: ok 28055
190: ok 28056
190: ok 28057
190: ok 28058
190: ok 28059
190: ok 28060
190: ok 28061
190: ok 28062
190: ok 28063
190: ok 28064
190: ok 28065
190: ok 28066
190: ok 28067
190: ok 28068
190: ok 28069
190: ok 28070
190: ok 28071
190: ok 28072
190: ok 28073
190: ok 28074
190: ok 28075
190: ok 28076
190: ok 28077
190: ok 28078
190: ok 28079
190: ok 28080
190: ok 28081
190: ok 28082
190: ok 28083
190: ok 28084
190: ok 28085
190: ok 28086
190: ok 28087
190: ok 28088
190: ok 28089
190: ok 28090
190: ok 28091
190: ok 28092
190: ok 28093
190: ok 28094
190: ok 28095
190: ok 28096
190: ok 28097
190: ok 28098
190: ok 28099
190: ok 28100
190: ok 28101
190: ok 28102
190: ok 28103
190: ok 28104
190: ok 28105
190: ok 28106
190: ok 28107
190: ok 28108
190: ok 28109
190: ok 28110
190: ok 28111
190: ok 28112
190: ok 28113
190: ok 28114
190: ok 28115
190: ok 28116
190: ok 28117
190: ok 28118
190: ok 28119
190: ok 28120
190: ok 28121
190: ok 28122
190: ok 28123
190: ok 28124
190: ok 28125
190: ok 28126
190: ok 28127
190: ok 28128
190: ok 28129
190: ok 28130
190: ok 28131
190: ok 28132
190: ok 28133
190: ok 28134
190: ok 28135
190: ok 28136
190: ok 28137
190: ok 28138
190: ok 28139
190: ok 28140
190: ok 28141
190: ok 28142
190: ok 28143
190: ok 28144
190: ok 28145
190: ok 28146
190: ok 28147
190: ok 28148
190: ok 28149
190: ok 28150
190: ok 28151
190: ok 28152
190: ok 28153
190: ok 28154
190: ok 28155
190: ok 28156
190: ok 28157
190: ok 28158
190: ok 28159
190: ok 28160
190: ok 28161
190: ok 28162
190: ok 28163
190: ok 28164
190: ok 28165
190: ok 28166
190: ok 28167
190: ok 28168
190: ok 28169
190: ok 28170
190: ok 28171
190: ok 28172
190: ok 28173
190: ok 28174
190: ok 28175
190: ok 28176
190: ok 28177
190: ok 28178
190: ok 28179
190: ok 28180
190: ok 28181
190: ok 28182
190: ok 28183
190: ok 28184
190: ok 28185
190: ok 28186
190: ok 28187
190: ok 28188
190: ok 28189
190: ok 28190
190: ok 28191
190: ok 28192
190: ok 28193
190: ok 28194
190: ok 28195
190: ok 28196
190: ok 28197
190: ok 28198
190: ok 28199
190: ok 28200
190: ok 28201
190: ok 28202
190: ok 28203
190: ok 28204
190: ok 28205
190: ok 28206
190: ok 28207
190: ok 28208
190: ok 28209
190: ok 28210
190: ok 28211
190: ok 28212
190: ok 28213
190: ok 28214
190: ok 28215
190: ok 28216
190: ok 28217
190: ok 28218
190: ok 28219
190: ok 28220
190: ok 28221
190: ok 28222
190: ok 28223
190: ok 28224
190: ok 28225
190: ok 28226
190: ok 28227
190: ok 28228
190: ok 28229
190: ok 28230
190: ok 28231
190: ok 28232
190: ok 28233
190: ok 28234
190: ok 28235
190: ok 28236
190: ok 28237
190: ok 28238
190: ok 28239
190: ok 28240
190: ok 28241
190: ok 28242
190: ok 28243
190: ok 28244
190: ok 28245
190: ok 28246
190: ok 28247
190: ok 28248
190: ok 28249
190: ok 28250
190: ok 28251
190: ok 28252
190: ok 28253
190: ok 28254
190: ok 28255
190: ok 28256
190: ok 28257
190: ok 28258
190: ok 28259
190: ok 28260
190: ok 28261
190: ok 28262
190: ok 28263
190: ok 28264
190: ok 28265
190: ok 28266
190: ok 28267
190: ok 28268
190: ok 28269
190: ok 28270
190: ok 28271
190: ok 28272
190: ok 28273
190: ok 28274
190: ok 28275
190: ok 28276
190: ok 28277
190: ok 28278
190: ok 28279
190: ok 28280
190: ok 28281
190: ok 28282
190: ok 28283
190: ok 28284
190: ok 28285
190: ok 28286
190: ok 28287
190: ok 28288
190: ok 28289
190: ok 28290
190: ok 28291
190: ok 28292
190: ok 28293
190: ok 28294
190: ok 28295
190: ok 28296
190: ok 28297
190: ok 28298
190: ok 28299
190: ok 28300
190: ok 28301
190: ok 28302
190: ok 28303
190: ok 28304
190: ok 28305
190: ok 28306
190: ok 28307
190: ok 28308
190: ok 28309
190: ok 28310
190: ok 28311
190: ok 28312
190: ok 28313
190: ok 28314
190: ok 28315
190: ok 28316
190: ok 28317
190: ok 28318
190: ok 28319
190: ok 28320
190: ok 28321
190: ok 28322
190: ok 28323
190: ok 28324
190: ok 28325
190: ok 28326
190: ok 28327
190: ok 28328
190: ok 28329
190: ok 28330
190: ok 28331
190: ok 28332
190: ok 28333
190: ok 28334
190: ok 28335
190: ok 28336
190: ok 28337
190: ok 28338
190: ok 28339
190: ok 28340
190: ok 28341
190: ok 28342
190: ok 28343
190: ok 28344
190: ok 28345
190: ok 28346
190: ok 28347
190: ok 28348
190: ok 28349
190: ok 28350
190: ok 28351
190: ok 28352
190: ok 28353
190: ok 28354
190: ok 28355
190: ok 28356
190: ok 28357
190: ok 28358
190: ok 28359
190: ok 28360
190: ok 28361
190: ok 28362
190: ok 28363
190: ok 28364
190: ok 28365
190: ok 28366
190: ok 28367
190: ok 28368
190: ok 28369
190: ok 28370
190: ok 28371
190: ok 28372
190: ok 28373
190: ok 28374
190: ok 28375
190: ok 28376
190: ok 28377
190: ok 28378
190: ok 28379
190: ok 28380
190: ok 28381
190: ok 28382
190: ok 28383
190: ok 28384
190: ok 28385
190: ok 28386
190: ok 28387
190: ok 28388
190: ok 28389
190: ok 28390
190: ok 28391
190: ok 28392
190: ok 28393
190: ok 28394
190: ok 28395
190: ok 28396
190: ok 28397
190: ok 28398
190: ok 28399
190: ok 28400
190: ok 28401
190: ok 28402
190: ok 28403
190: ok 28404
190: ok 28405
190: ok 28406
190: ok 28407
190: ok 28408
190: ok 28409
190: ok 28410
190: ok 28411
190: ok 28412
190: ok 28413
190: ok 28414
190: ok 28415
190: ok 28416
190: ok 28417
190: ok 28418
190: ok 28419
190: ok 28420
190: ok 28421
190: ok 28422
190: ok 28423
190: ok 28424
190: ok 28425
190: ok 28426
190: ok 28427
190: ok 28428
190: ok 28429
190: ok 28430
190: ok 28431
190: ok 28432
190: ok 28433
190: ok 28434
190: ok 28435
190: ok 28436
190: ok 28437
190: ok 28438
190: ok 28439
190: ok 28440
190: ok 28441
190: ok 28442
190: ok 28443
190: ok 28444
190: ok 28445
190: ok 28446
190: ok 28447
190: ok 28448
190: ok 28449
190: ok 28450
190: ok 28451
190: ok 28452
190: ok 28453
190: ok 28454
190: ok 28455
190: ok 28456
190: ok 28457
190: ok 28458
190: ok 28459
190: ok 28460
190: ok 28461
190: ok 28462
190: ok 28463
190: ok 28464
190: ok 28465
190: ok 28466
190: ok 28467
190: ok 28468
190: ok 28469
190: ok 28470
190: ok 28471
190: ok 28472
190: ok 28473
190: ok 28474
190: ok 28475
190: ok 28476
190: ok 28477
190: ok 28478
190: ok 28479
190: ok 28480
190: ok 28481
190: ok 28482
190: ok 28483
190: ok 28484
190: ok 28485
190: ok 28486
190: ok 28487
190: ok 28488
190: ok 28489
190: ok 28490
190: ok 28491
190: ok 28492
190: ok 28493
190: ok 28494
190: ok 28495
190: ok 28496
190: ok 28497
190: ok 28498
190: ok 28499
190: ok 28500
190: ok 28501
190: ok 28502
190: ok 28503
190: ok 28504
190: ok 28505
190: ok 28506
190: ok 28507
190: ok 28508
190: ok 28509
190: ok 28510
190: ok 28511
190: ok 28512
190: ok 28513
190: ok 28514
190: ok 28515
190: ok 28516
190: ok 28517
190: ok 28518
190: ok 28519
190: ok 28520
190: ok 28521
190: ok 28522
190: ok 28523
190: ok 28524
190: ok 28525
190: ok 28526
190: ok 28527
190: ok 28528
190: ok 28529
190: ok 28530
190: ok 28531
190: ok 28532
190: ok 28533
190: ok 28534
190: ok 28535
190: ok 28536
190: ok 28537
190: ok 28538
190: ok 28539
190: ok 28540
190: ok 28541
190: ok 28542
190: ok 28543
190: ok 28544
190: ok 28545
190: ok 28546
190: ok 28547
190: ok 28548
190: ok 28549
190: ok 28550
190: ok 28551
190: ok 28552
190: ok 28553
190: ok 28554
190: ok 28555
190: ok 28556
190: ok 28557
190: ok 28558
190: ok 28559
190: ok 28560
190: ok 28561
190: ok 28562
190: ok 28563
190: ok 28564
190: ok 28565
190: ok 28566
190: ok 28567
190: ok 28568
190: ok 28569
190: ok 28570
190: ok 28571
190: ok 28572
190: ok 28573
190: ok 28574
190: ok 28575
190: ok 28576
190: ok 28577
190: ok 28578
190: ok 28579
190: ok 28580
190: ok 28581
190: ok 28582
190: ok 28583
190: ok 28584
190: ok 28585
190: ok 28586
190: ok 28587
190: ok 28588
190: ok 28589
190: ok 28590
190: ok 28591
190: ok 28592
190: ok 28593
190: ok 28594
190: ok 28595
190: ok 28596
190: ok 28597
190: ok 28598
190: ok 28599
190: ok 28600
190: ok 28601
190: ok 28602
190: ok 28603
190: ok 28604
190: ok 28605
190: ok 28606
190: ok 28607
190: ok 28608
190: ok 28609
190: ok 28610
190: ok 28611
190: ok 28612
190: ok 28613
190: ok 28614
190: ok 28615
190: ok 28616
190: ok 28617
190: ok 28618
190: ok 28619
190: ok 28620
190: ok 28621
190: ok 28622
190: ok 28623
190: ok 28624
190: ok 28625
190: ok 28626
190: ok 28627
190: ok 28628
190: ok 28629
190: ok 28630
190: ok 28631
190: ok 28632
190: ok 28633
190: ok 28634
190: ok 28635
190: ok 28636
190: ok 28637
190: ok 28638
190: ok 28639
190: ok 28640
190: ok 28641
190: ok 28642
190: ok 28643
190: ok 28644
190: ok 28645
190: ok 28646
190: ok 28647
190: ok 28648
190: ok 28649
190: ok 28650
190: ok 28651
190: ok 28652
190: ok 28653
190: ok 28654
190: ok 28655
190: ok 28656
190: ok 28657
190: ok 28658
190: ok 28659
190: ok 28660
190: ok 28661
190: ok 28662
190: ok 28663
190: ok 28664
190: ok 28665
190: ok 28666
190: ok 28667
190: ok 28668
190: ok 28669
190: ok 28670
190: ok 28671
190: ok 28672
190: ok 28673
190: ok 28674
190: ok 28675
190: ok 28676
190: ok 28677
190: ok 28678
190: ok 28679
190: ok 28680
190: ok 28681
190: ok 28682
190: ok 28683
190: ok 28684
190: ok 28685
190: ok 28686
190: ok 28687
190: ok 28688
190: ok 28689
190: ok 28690
190: ok 28691
190: ok 28692
190: ok 28693
190: ok 28694
190: ok 28695
190: ok 28696
190: ok 28697
190: ok 28698
190: ok 28699
190: ok 28700
190: ok 28701
190: ok 28702
190: ok 28703
190: ok 28704
190: ok 28705
190: ok 28706
190: ok 28707
190: ok 28708
190: ok 28709
190: ok 28710
190: ok 28711
190: ok 28712
190: ok 28713
190: ok 28714
190: ok 28715
190: ok 28716
190: ok 28717
190: ok 28718
190: ok 28719
190: ok 28720
190: ok 28721
190: ok 28722
190: ok 28723
190: ok 28724
190: ok 28725
190: ok 28726
190: ok 28727
190: ok 28728
190: ok 28729
190: ok 28730
190: ok 28731
190: ok 28732
190: ok 28733
190: ok 28734
190: ok 28735
190: ok 28736
190: ok 28737
190: ok 28738
190: ok 28739
190: ok 28740
190: ok 28741
190: ok 28742
190: ok 28743
190: ok 28744
190: ok 28745
190: ok 28746
190: ok 28747
190: ok 28748
190: ok 28749
190: ok 28750
190: ok 28751
190: ok 28752
190: ok 28753
190: ok 28754
190: ok 28755
190: ok 28756
190: ok 28757
190: ok 28758
190: ok 28759
190: ok 28760
190: ok 28761
190: ok 28762
190: ok 28763
190: ok 28764
190: ok 28765
190: ok 28766
190: ok 28767
190: ok 28768
190: ok 28769
190: ok 28770
190: ok 28771
190: ok 28772
190: ok 28773
190: ok 28774
190: ok 28775
190: ok 28776
190: ok 28777
190: ok 28778
190: ok 28779
190: ok 28780
190: ok 28781
190: ok 28782
190: ok 28783
190: ok 28784
190: ok 28785
190: ok 28786
190: ok 28787
190: ok 28788
190: ok 28789
190: ok 28790
190: ok 28791
190: ok 28792
190: ok 28793
190: ok 28794
190: ok 28795
190: ok 28796
190: ok 28797
190: ok 28798
190: ok 28799
190: ok 28800
190: ok 28801
190: ok 28802
190: ok 28803
190: ok 28804
190: ok 28805
190: ok 28806
190: ok 28807
190: ok 28808
190: ok 28809
190: ok 28810
190: ok 28811
190: ok 28812
190: ok 28813
190: ok 28814
190: ok 28815
190: ok 28816
190: ok 28817
190: ok 28818
190: ok 28819
190: ok 28820
190: ok 28821
190: ok 28822
190: ok 28823
190: ok 28824
190: ok 28825
190: ok 28826
190: ok 28827
190: ok 28828
190: ok 28829
190: ok 28830
190: ok 28831
190: ok 28832
190: ok 28833
190: ok 28834
190: ok 28835
190: ok 28836
190: ok 28837
190: ok 28838
190: ok 28839
190: ok 28840
190: ok 28841
190: ok 28842
190: ok 28843
190: ok 28844
190: ok 28845
190: ok 28846
190: ok 28847
190: ok 28848
190: ok 28849
190: ok 28850
190: ok 28851
190: ok 28852
190: ok 28853
190: ok 28854
190: ok 28855
190: ok 28856
190: ok 28857
190: ok 28858
190: ok 28859
190: ok 28860
190: ok 28861
190: ok 28862
190: ok 28863
190: ok 28864
190: ok 28865
190: ok 28866
190: ok 28867
190: ok 28868
190: ok 28869
190: ok 28870
190: ok 28871
190: ok 28872
190: ok 28873
190: ok 28874
190: ok 28875
190: ok 28876
190: ok 28877
190: ok 28878
190: ok 28879
190: ok 28880
190: ok 28881
190: ok 28882
190: ok 28883
190: ok 28884
190: ok 28885
190: ok 28886
190: ok 28887
190: ok 28888
190: ok 28889
190: ok 28890
190: ok 28891
190: ok 28892
190: ok 28893
190: ok 28894
190: ok 28895
190: ok 28896
190: ok 28897
190: ok 28898
190: ok 28899
190: ok 28900
190: ok 28901
190: ok 28902
190: ok 28903
190: ok 28904
190: ok 28905
190: ok 28906
190: ok 28907
190: ok 28908
190: ok 28909
190: ok 28910
190: ok 28911
190: ok 28912
190: ok 28913
190: ok 28914
190: ok 28915
190: ok 28916
190: ok 28917
190: ok 28918
190: ok 28919
190: ok 28920
190: ok 28921
190: ok 28922
190: ok 28923
190: ok 28924
190: ok 28925
190: ok 28926
190: ok 28927
190: ok 28928
190: ok 28929
190: ok 28930
190: ok 28931
190: ok 28932
190: ok 28933
190: ok 28934
190: ok 28935
190: ok 28936
190: ok 28937
190: ok 28938
190: ok 28939
190: ok 28940
190: ok 28941
190: ok 28942
190: ok 28943
190: ok 28944
190: ok 28945
190: ok 28946
190: ok 28947
190: ok 28948
190: ok 28949
190: ok 28950
190: ok 28951
190: ok 28952
190: ok 28953
190: ok 28954
190: ok 28955
190: ok 28956
190: ok 28957
190: ok 28958
190: ok 28959
190: ok 28960
190: ok 28961
190: ok 28962
190: ok 28963
190: ok 28964
190: ok 28965
190: ok 28966
190: ok 28967
190: ok 28968
190: ok 28969
190: ok 28970
190: ok 28971
190: ok 28972
190: ok 28973
190: ok 28974
190: ok 28975
190: ok 28976
190: ok 28977
190: ok 28978
190: ok 28979
190: ok 28980
190: ok 28981
190: ok 28982
190: ok 28983
190: ok 28984
190: ok 28985
190: ok 28986
190: ok 28987
190: ok 28988
190: ok 28989
190: ok 28990
190: ok 28991
190: ok 28992
190: ok 28993
190: ok 28994
190: ok 28995
190: ok 28996
190: ok 28997
190: ok 28998
190: ok 28999
190: ok 29000
190: ok 29001
190: ok 29002
190: ok 29003
190: ok 29004
190: ok 29005
190: ok 29006
190: ok 29007
190: ok 29008
190: ok 29009
190: ok 29010
190: ok 29011
190: ok 29012
190: ok 29013
190: ok 29014
190: ok 29015
190: ok 29016
190: ok 29017
190: ok 29018
190: ok 29019
190: ok 29020
190: ok 29021
190: ok 29022
190: ok 29023
190: ok 29024
190: ok 29025
190: ok 29026
190: ok 29027
190: ok 29028
190: ok 29029
190: ok 29030
190: ok 29031
190: ok 29032
190: ok 29033
190: ok 29034
190: ok 29035
190: ok 29036
190: ok 29037
190: ok 29038
190: ok 29039
190: ok 29040
190: ok 29041
190: ok 29042
190: ok 29043
190: ok 29044
190: ok 29045
190: ok 29046
190: ok 29047
190: ok 29048
190: ok 29049
190: ok 29050
190: ok 29051
190: ok 29052
190: ok 29053
190: ok 29054
190: ok 29055
190: ok 29056
190: ok 29057
190: ok 29058
190: ok 29059
190: ok 29060
190: ok 29061
190: ok 29062
190: ok 29063
190: ok 29064
190: ok 29065
190: ok 29066
190: ok 29067
190: ok 29068
190: ok 29069
190: ok 29070
190: ok 29071
190: ok 29072
190: ok 29073
190: ok 29074
190: ok 29075
190: ok 29076
190: ok 29077
190: ok 29078
190: ok 29079
190: ok 29080
190: ok 29081
190: ok 29082
190: ok 29083
190: ok 29084
190: ok 29085
190: ok 29086
190: ok 29087
190: ok 29088
190: ok 29089
190: ok 29090
190: ok 29091
190: ok 29092
190: ok 29093
190: ok 29094
190: ok 29095
190: ok 29096
190: ok 29097
190: ok 29098
190: ok 29099
190: ok 29100
190: ok 29101
190: ok 29102
190: ok 29103
190: ok 29104
190: ok 29105
190: ok 29106
190: ok 29107
190: ok 29108
190: ok 29109
190: ok 29110
190: ok 29111
190: ok 29112
190: ok 29113
190: ok 29114
190: ok 29115
190: ok 29116
190: ok 29117
190: ok 29118
190: ok 29119
190: ok 29120
190: ok 29121
190: ok 29122
190: ok 29123
190: ok 29124
190: ok 29125
190: ok 29126
190: ok 29127
190: ok 29128
190: ok 29129
190: ok 29130
190: ok 29131
190: ok 29132
190: ok 29133
190: ok 29134
190: ok 29135
190: ok 29136
190: ok 29137
190: ok 29138
190: ok 29139
190: ok 29140
190: ok 29141
190: ok 29142
190: ok 29143
190: ok 29144
190: ok 29145
190: ok 29146
190: ok 29147
190: ok 29148
190: ok 29149
190: ok 29150
190: ok 29151
190: ok 29152
190: ok 29153
190: ok 29154
190: ok 29155
190: ok 29156
190: ok 29157
190: ok 29158
190: ok 29159
190: ok 29160
190: ok 29161
190: ok 29162
190: ok 29163
190: ok 29164
190: ok 29165
190: ok 29166
190: ok 29167
190: ok 29168
190: ok 29169
190: ok 29170
190: ok 29171
190: ok 29172
190: ok 29173
190: ok 29174
190: ok 29175
190: ok 29176
190: ok 29177
190: ok 29178
190: ok 29179
190: ok 29180
190: ok 29181
190: ok 29182
190: ok 29183
190: ok 29184
190: ok 29185
190: ok 29186
190: ok 29187
190: ok 29188
190: ok 29189
190: ok 29190
190: ok 29191
190: ok 29192
190: ok 29193
190: ok 29194
190: ok 29195
190: ok 29196
190: ok 29197
190: ok 29198
190: ok 29199
190: ok 29200
190: ok 29201
190: ok 29202
190: ok 29203
190: ok 29204
190: ok 29205
190: ok 29206
190: ok 29207
190: ok 29208
190: ok 29209
190: ok 29210
190: ok 29211
190: ok 29212
190: ok 29213
190: ok 29214
190: ok 29215
190: ok 29216
190: ok 29217
190: ok 29218
190: ok 29219
190: ok 29220
190: ok 29221
190: ok 29222
190: ok 29223
190: ok 29224
190: ok 29225
190: ok 29226
190: ok 29227
190: ok 29228
190: ok 29229
190: ok 29230
190: ok 29231
190: ok 29232
190: ok 29233
190: ok 29234
190: ok 29235
190: ok 29236
190: ok 29237
190: ok 29238
190: ok 29239
190: ok 29240
190: ok 29241
190: ok 29242
190: ok 29243
190: ok 29244
190: ok 29245
190: ok 29246
190: ok 29247
190: ok 29248
190: ok 29249
190: ok 29250
190: ok 29251
190: ok 29252
190: ok 29253
190: ok 29254
190: ok 29255
190: ok 29256
190: ok 29257
190: ok 29258
190: ok 29259
190: ok 29260
190: ok 29261
190: ok 29262
190: ok 29263
190: ok 29264
190: ok 29265
190: ok 29266
190: ok 29267
190: ok 29268
190: ok 29269
190: ok 29270
190: ok 29271
190: ok 29272
190: ok 29273
190: ok 29274
190: ok 29275
190: ok 29276
190: ok 29277
190: ok 29278
190: ok 29279
190: ok 29280
190: ok 29281
190: ok 29282
190: ok 29283
190: ok 29284
190: ok 29285
190: ok 29286
190: ok 29287
190: ok 29288
190: ok 29289
190: ok 29290
190: ok 29291
190: ok 29292
190: ok 29293
190: ok 29294
190: ok 29295
190: ok 29296
190: ok 29297
190: ok 29298
190: ok 29299
190: ok 29300
190: ok 29301
190: ok 29302
190: ok 29303
190: ok 29304
190: ok 29305
190: ok 29306
190: ok 29307
190: ok 29308
190: ok 29309
190: ok 29310
190: ok 29311
190: ok 29312
190: ok 29313
190: ok 29314
190: ok 29315
190: ok 29316
190: ok 29317
190: ok 29318
190: ok 29319
190: ok 29320
190: ok 29321
190: ok 29322
190: ok 29323
190: ok 29324
190: ok 29325
190: ok 29326
190: ok 29327
190: ok 29328
190: ok 29329
190: ok 29330
190: ok 29331
190: ok 29332
190: ok 29333
190: ok 29334
190: ok 29335
190: ok 29336
190: ok 29337
190: ok 29338
190: ok 29339
190: ok 29340
190: ok 29341
190: ok 29342
190: ok 29343
190: ok 29344
190: ok 29345
190: ok 29346
190: ok 29347
190: ok 29348
190: ok 29349
190: ok 29350
190: ok 29351
190: ok 29352
190: ok 29353
190: ok 29354
190: ok 29355
190: ok 29356
190: ok 29357
190: ok 29358
190: ok 29359
190: ok 29360
190: ok 29361
190: ok 29362
190: ok 29363
190: ok 29364
190: ok 29365
190: ok 29366
190: ok 29367
190: ok 29368
190: ok 29369
190: ok 29370
190: ok 29371
190: ok 29372
190: ok 29373
190: ok 29374
190: ok 29375
190: ok 29376
190: ok 29377
190: ok 29378
190: ok 29379
190: ok 29380
190: ok 29381
190: ok 29382
190: ok 29383
190: ok 29384
190: ok 29385
190: ok 29386
190: ok 29387
190: ok 29388
190: ok 29389
190: ok 29390
190: ok 29391
190: ok 29392
190: ok 29393
190: ok 29394
190: ok 29395
190: ok 29396
190: ok 29397
190: ok 29398
190: ok 29399
190: ok 29400
190: ok 29401
190: ok 29402
190: ok 29403
190: ok 29404
190: ok 29405
190: ok 29406
190: ok 29407
190: ok 29408
190: ok 29409
190: ok 29410
190: ok 29411
190: ok 29412
190: ok 29413
190: ok 29414
190: ok 29415
190: ok 29416
190: ok 29417
190: ok 29418
190: ok 29419
190: ok 29420
190: ok 29421
190: ok 29422
190: ok 29423
190: ok 29424
190: ok 29425
190: ok 29426
190: ok 29427
190: ok 29428
190: ok 29429
190: ok 29430
190: ok 29431
190: ok 29432
190: ok 29433
190: ok 29434
190: ok 29435
190: ok 29436
190: ok 29437
190: ok 29438
190: ok 29439
190: ok 29440
190: ok 29441
190: ok 29442
190: ok 29443
190: ok 29444
190: ok 29445
190: ok 29446
190: ok 29447
190: ok 29448
190: ok 29449
190: ok 29450
190: ok 29451
190: ok 29452
190: ok 29453
190: ok 29454
190: ok 29455
190: ok 29456
190: ok 29457
190: ok 29458
190: ok 29459
190: ok 29460
190: ok 29461
190: ok 29462
190: ok 29463
190: ok 29464
190: ok 29465
190: ok 29466
190: ok 29467
190: ok 29468
190: ok 29469
190: ok 29470
190: ok 29471
190: ok 29472
190: ok 29473
190: ok 29474
190: ok 29475
190: ok 29476
190: ok 29477
190: ok 29478
190: ok 29479
190: ok 29480
190: ok 29481
190: ok 29482
190: ok 29483
190: ok 29484
190: ok 29485
190: ok 29486
190: ok 29487
190: ok 29488
190: ok 29489
190: ok 29490
190: ok 29491
190: ok 29492
190: ok 29493
190: ok 29494
190: ok 29495
190: ok 29496
190: ok 29497
190: ok 29498
190: ok 29499
190: ok 29500
190: ok 29501
190: ok 29502
190: ok 29503
190: ok 29504
190: ok 29505
190: ok 29506
190: ok 29507
190: ok 29508
190: ok 29509
190: ok 29510
190: ok 29511
190: ok 29512
190: ok 29513
190: ok 29514
190: ok 29515
190: ok 29516
190: ok 29517
190: ok 29518
190: ok 29519
190: ok 29520
190: ok 29521
190: ok 29522
190: ok 29523
190: ok 29524
190: ok 29525
190: ok 29526
190: ok 29527
190: ok 29528
190: ok 29529
190: ok 29530
190: ok 29531
190: ok 29532
190: ok 29533
190: ok 29534
190: ok 29535
190: ok 29536
190: ok 29537
190: ok 29538
190: ok 29539
190: ok 29540
190: ok 29541
190: ok 29542
190: ok 29543
190: ok 29544
190: ok 29545
190: ok 29546
190: ok 29547
190: ok 29548
190: ok 29549
190: ok 29550
190: ok 29551
190: ok 29552
190: ok 29553
190: ok 29554
190: ok 29555
190: ok 29556
190: ok 29557
190: ok 29558
190: ok 29559
190: ok 29560
190: ok 29561
190: ok 29562
190: ok 29563
190: ok 29564
190: ok 29565
190: ok 29566
190: ok 29567
190: ok 29568
190: ok 29569
190: ok 29570
190: ok 29571
190: ok 29572
190: ok 29573
190: ok 29574
190: ok 29575
190: ok 29576
190: ok 29577
190: ok 29578
190: ok 29579
190: ok 29580
190: ok 29581
190: ok 29582
190: ok 29583
190: ok 29584
190: ok 29585
190: ok 29586
190: ok 29587
190: ok 29588
190: ok 29589
190: ok 29590
190: ok 29591
190: ok 29592
190: ok 29593
190: ok 29594
190: ok 29595
190: ok 29596
190: ok 29597
190: ok 29598
190: ok 29599
190: ok 29600
190: ok 29601
190: ok 29602
190: ok 29603
190: ok 29604
190: ok 29605
190: ok 29606
190: ok 29607
190: ok 29608
190: ok 29609
190: ok 29610
190: ok 29611
190: ok 29612
190: ok 29613
190: ok 29614
190: ok 29615
190: ok 29616
190: ok 29617
190: ok 29618
190: ok 29619
190: ok 29620
190: ok 29621
190: ok 29622
190: ok 29623
190: ok 29624
190: ok 29625
190: ok 29626
190: ok 29627
190: ok 29628
190: ok 29629
190: ok 29630
190: ok 29631
190: ok 29632
190: ok 29633
190: ok 29634
190: ok 29635
190: ok 29636
190: ok 29637
190: ok 29638
190: ok 29639
190: ok 29640
190: ok 29641
190: ok 29642
190: ok 29643
190: ok 29644
190: ok 29645
190: ok 29646
190: ok 29647
190: ok 29648
190: ok 29649
190: ok 29650
190: ok 29651
190: ok 29652
190: ok 29653
190: ok 29654
190: ok 29655
190: ok 29656
190: ok 29657
190: ok 29658
190: ok 29659
190: ok 29660
190: ok 29661
190: ok 29662
190: ok 29663
190: ok 29664
190: ok 29665
190: ok 29666
190: ok 29667
190: ok 29668
190: ok 29669
190: ok 29670
190: ok 29671
190: ok 29672
190: ok 29673
190: ok 29674
190: ok 29675
190: ok 29676
190: ok 29677
190: ok 29678
190: ok 29679
190: ok 29680
190: ok 29681
190: ok 29682
190: ok 29683
190: ok 29684
190: ok 29685
190: ok 29686
190: ok 29687
190: ok 29688
190: ok 29689
190: ok 29690
190: ok 29691
190: ok 29692
190: ok 29693
190: ok 29694
190: ok 29695
190: ok 29696
190: ok 29697
190: ok 29698
190: ok 29699
190: ok 29700
190: ok 29701
190: ok 29702
190: ok 29703
190: ok 29704
190: ok 29705
190: ok 29706
190: ok 29707
190: ok 29708
190: ok 29709
190: ok 29710
190: ok 29711
190: ok 29712
190: ok 29713
190: ok 29714
190: ok 29715
190: ok 29716
190: ok 29717
190: ok 29718
190: ok 29719
190: ok 29720
190: ok 29721
190: ok 29722
190: ok 29723
190: ok 29724
190: ok 29725
190: ok 29726
190: ok 29727
190: ok 29728
190: ok 29729
190: ok 29730
190: ok 29731
190: ok 29732
190: ok 29733
190: ok 29734
190: ok 29735
190: ok 29736
190: ok 29737
190: ok 29738
190: ok 29739
190: ok 29740
190: ok 29741
190: ok 29742
190: ok 29743
190: ok 29744
190: ok 29745
190: ok 29746
190: ok 29747
190: ok 29748
190: ok 29749
190: ok 29750
190: ok 29751
190: ok 29752
190: ok 29753
190: ok 29754
190: ok 29755
190: ok 29756
190: ok 29757
190: ok 29758
190: ok 29759
190: ok 29760
190: ok 29761
190: ok 29762
190: ok 29763
190: ok 29764
190: ok 29765
190: ok 29766
190: ok 29767
190: ok 29768
190: ok 29769
190: ok 29770
190: ok 29771
190: ok 29772
190: ok 29773
190: ok 29774
190: ok 29775
190: ok 29776
190: ok 29777
190: ok 29778
190: ok 29779
190: ok 29780
190: ok 29781
190: ok 29782
190: ok 29783
190: ok 29784
190: ok 29785
190: ok 29786
190: ok 29787
190: ok 29788
190: ok 29789
190: ok 29790
190: ok 29791
190: ok 29792
190: ok 29793
190: ok 29794
190: ok 29795
190: ok 29796
190: ok 29797
190: ok 29798
190: ok 29799
190: ok 29800
190: ok 29801
190: ok 29802
190: ok 29803
190: ok 29804
190: ok 29805
190: ok 29806
190: ok 29807
190: ok 29808
190: ok 29809
190: ok 29810
190: ok 29811
190: ok 29812
190: ok 29813
190: ok 29814
190: ok 29815
190: ok 29816
190: ok 29817
190: ok 29818
190: ok 29819
190: ok 29820
190: ok 29821
190: ok 29822
190: ok 29823
190: ok 29824
190: ok 29825
190: ok 29826
190: ok 29827
190: ok 29828
190: ok 29829
190: ok 29830
190: ok 29831
190: ok 29832
190: ok 29833
190: ok 29834
190: ok 29835
190: ok 29836
190: ok 29837
190: ok 29838
190: ok 29839
190: ok 29840
190: ok 29841
190: ok 29842
190: ok 29843
190: ok 29844
190: ok 29845
190: ok 29846
190: ok 29847
190: ok 29848
190: ok 29849
190: ok 29850
190: ok 29851
190: ok 29852
190: ok 29853
190: ok 29854
190: ok 29855
190: ok 29856
190: ok 29857
190: ok 29858
190: ok 29859
190: ok 29860
190: ok 29861
190: ok 29862
190: ok 29863
190: ok 29864
190: ok 29865
190: ok 29866
190: ok 29867
190: ok 29868
190: ok 29869
190: ok 29870
190: ok 29871
190: ok 29872
190: ok 29873
190: ok 29874
190: ok 29875
190: ok 29876
190: ok 29877
190: ok 29878
190: ok 29879
190: ok 29880
190: ok 29881
190: ok 29882
190: ok 29883
190: ok 29884
190: ok 29885
190: ok 29886
190: ok 29887
190: ok 29888
190: ok 29889
190: ok 29890
190: ok 29891
190: ok 29892
190: ok 29893
190: ok 29894
190: ok 29895
190: ok 29896
190: ok 29897
190: ok 29898
190: ok 29899
190: ok 29900
190: ok 29901
190: ok 29902
190: ok 29903
190: ok 29904
190: ok 29905
190: ok 29906
190: ok 29907
190: ok 29908
190: ok 29909
190: ok 29910
190: ok 29911
190: ok 29912
190: ok 29913
190: ok 29914
190: ok 29915
190: ok 29916
190: ok 29917
190: ok 29918
190: ok 29919
190: ok 29920
190: ok 29921
190: ok 29922
190: ok 29923
190: ok 29924
190: ok 29925
190: ok 29926
190: ok 29927
190: ok 29928
190: ok 29929
190: ok 29930
190: ok 29931
190: ok 29932
190: ok 29933
190: ok 29934
190: ok 29935
190: ok 29936
190: ok 29937
190: ok 29938
190: ok 29939
190: ok 29940
190: ok 29941
190: ok 29942
190: ok 29943
190: ok 29944
190: ok 29945
190: ok 29946
190: ok 29947
190: ok 29948
190: ok 29949
190: ok 29950
190: ok 29951
190: ok 29952
190: ok 29953
190: ok 29954
190: ok 29955
190: ok 29956
190: ok 29957
190: ok 29958
190: ok 29959
190: ok 29960
190: ok 29961
190: ok 29962
190: ok 29963
190: ok 29964
190: ok 29965
190: ok 29966
190: ok 29967
190: ok 29968
190: ok 29969
190: ok 29970
190: ok 29971
190: ok 29972
190: ok 29973
190: ok 29974
190: ok 29975
190: ok 29976
190: ok 29977
190: ok 29978
190: ok 29979
190: ok 29980
190: ok 29981
190: ok 29982
190: ok 29983
190: ok 29984
190: ok 29985
190: ok 29986
190: ok 29987
190: ok 29988
190: ok 29989
190: ok 29990
190: ok 29991
190: ok 29992
190: ok 29993
190: ok 29994
190: ok 29995
190: ok 29996
190: ok 29997
190: ok 29998
190: ok 29999
190: ok 30000
190: ok 30001
190: ok 30002
190: ok 30003
190: ok 30004
190: ok 30005
190: ok 30006
190: ok 30007
190: ok 30008
190: ok 30009
190: ok 30010
190: ok 30011
190: ok 30012
190: ok 30013
190: ok 30014
190: ok 30015
190: ok 30016
190: ok 30017
190: ok 30018
190: ok 30019
190: ok 30020
190: ok 30021
190: ok 30022
190: ok 30023
190: ok 30024
190: ok 30025
190: ok 30026
190: ok 30027
190: ok 30028
190: ok 30029
190: ok 30030
190: ok 30031
190: ok 30032
190: ok 30033
190: ok 30034
190: ok 30035
190: ok 30036
190: ok 30037
190: ok 30038
190: ok 30039
190: ok 30040
190: ok 30041
190: ok 30042
190: ok 30043
190: ok 30044
190: ok 30045
190: ok 30046
190: ok 30047
190: ok 30048
190: ok 30049
190: ok 30050
190: ok 30051
190: ok 30052
190: ok 30053
190: ok 30054
190: ok 30055
190: ok 30056
190: ok 30057
190: ok 30058
190: ok 30059
190: ok 30060
190: ok 30061
190: ok 30062
190: ok 30063
190: ok 30064
190: ok 30065
190: ok 30066
190: ok 30067
190: ok 30068
190: ok 30069
190: ok 30070
190: ok 30071
190: ok 30072
190: ok 30073
190: ok 30074
190: ok 30075
190: ok 30076
190: ok 30077
190: ok 30078
190: ok 30079
190: ok 30080
190: ok 30081
190: ok 30082
190: ok 30083
190: ok 30084
190: ok 30085
190: ok 30086
190: ok 30087
190: ok 30088
190: ok 30089
190: ok 30090
190: ok 30091
190: ok 30092
190: ok 30093
190: ok 30094
190: ok 30095
190: ok 30096
190: ok 30097
190: ok 30098
190: ok 30099
190: ok 30100
190: ok 30101
190: ok 30102
190: ok 30103
190: ok 30104
190: ok 30105
190: ok 30106
190: ok 30107
190: ok 30108
190: ok 30109
190: ok 30110
190: ok 30111
190: ok 30112
190: ok 30113
190: ok 30114
190: ok 30115
190: ok 30116
190: ok 30117
190: ok 30118
190: ok 30119
190: ok 30120
190: ok 30121
190: ok 30122
190: ok 30123
190: ok 30124
190: ok 30125
190: ok 30126
190: ok 30127
190: ok 30128
190: ok 30129
190: ok 30130
190: ok 30131
190: ok 30132
190: ok 30133
190: ok 30134
190: ok 30135
190: ok 30136
190: ok 30137
190: ok 30138
190: ok 30139
190: ok 30140
190: ok 30141
190: ok 30142
190: ok 30143
190: ok 30144
190: ok 30145
190: ok 30146
190: ok 30147
190: ok 30148
190: ok 30149
190: ok 30150
190: ok 30151
190: ok 30152
190: ok 30153
190: ok 30154
190: ok 30155
190: ok 30156
190: ok 30157
190: ok 30158
190: ok 30159
190: ok 30160
190: ok 30161
190: ok 30162
190: ok 30163
190: ok 30164
190: ok 30165
190: ok 30166
190: ok 30167
190: ok 30168
190: ok 30169
190: ok 30170
190: ok 30171
190: ok 30172
190: ok 30173
190: ok 30174
190: ok 30175
190: ok 30176
190: ok 30177
190: ok 30178
190: ok 30179
190: ok 30180
190: ok 30181
190: ok 30182
190: ok 30183
190: ok 30184
190: ok 30185
190: ok 30186
190: ok 30187
190: ok 30188
190: ok 30189
190: ok 30190
190: ok 30191
190: ok 30192
190: ok 30193
190: ok 30194
190: ok 30195
190: ok 30196
190: ok 30197
190: ok 30198
190: ok 30199
190: ok 30200
190: ok 30201
190: ok 30202
190: ok 30203
190: ok 30204
190: ok 30205
190: ok 30206
190: ok 30207
190: ok 30208
190: ok 30209
190: ok 30210
190: ok 30211
190: ok 30212
190: ok 30213
190: ok 30214
190: ok 30215
190: ok 30216
190: ok 30217
190: ok 30218
190: ok 30219
190: ok 30220
190: ok 30221
190: ok 30222
190: ok 30223
190: ok 30224
190: ok 30225
190: ok 30226
190: ok 30227
190: ok 30228
190: ok 30229
190: ok 30230
190: ok 30231
190: ok 30232
190: ok 30233
190: ok 30234
190: ok 30235
190: ok 30236
190: ok 30237
190: ok 30238
190: ok 30239
190: ok 30240
190: ok 30241
190: ok 30242
190: ok 30243
190: ok 30244
190: ok 30245
190: ok 30246
190: ok 30247
190: ok 30248
190: ok 30249
190: ok 30250
190: ok 30251
190: ok 30252
190: ok 30253
190: ok 30254
190: ok 30255
190: ok 30256
190: ok 30257
190: ok 30258
190: ok 30259
190: ok 30260
190: ok 30261
190: ok 30262
190: ok 30263
190: ok 30264
190: ok 30265
190: ok 30266
190: ok 30267
190: ok 30268
190: ok 30269
190: ok 30270
190: ok 30271
190: ok 30272
190: ok 30273
190: ok 30274
190: ok 30275
190: ok 30276
190: ok 30277
190: ok 30278
190: ok 30279
190: ok 30280
190: ok 30281
190: ok 30282
190: ok 30283
190: ok 30284
190: ok 30285
190: ok 30286
190: ok 30287
190: ok 30288
190: ok 30289
190: ok 30290
190: ok 30291
190: ok 30292
190: ok 30293
190: ok 30294
190: ok 30295
190: ok 30296
190: ok 30297
190: ok 30298
190: ok 30299
190: ok 30300
190: ok 30301
190: ok 30302
190: ok 30303
190: ok 30304
190: ok 30305
190: ok 30306
190: ok 30307
190: ok 30308
190: ok 30309
190: ok 30310
190: ok 30311
190: ok 30312
190: ok 30313
190: ok 30314
190: ok 30315
190: ok 30316
190: ok 30317
190: ok 30318
190: ok 30319
190: ok 30320
190: ok 30321
190: ok 30322
190: ok 30323
190: ok 30324
190: ok 30325
190: ok 30326
190: ok 30327
190: ok 30328
190: ok 30329
190: ok 30330
190: ok 30331
190: ok 30332
190: ok 30333
190: ok 30334
190: ok 30335
190: ok 30336
190: ok 30337
190: ok 30338
190: ok 30339
190: ok 30340
190: ok 30341
190: ok 30342
190: ok 30343
190: ok 30344
190: ok 30345
190: ok 30346
190: ok 30347
190: ok 30348
190: ok 30349
190: ok 30350
190: ok 30351
190: ok 30352
190: ok 30353
190: ok 30354
190: ok 30355
190: ok 30356
190: ok 30357
190: ok 30358
190: ok 30359
190: ok 30360
190: ok 30361
190: ok 30362
190: ok 30363
190: ok 30364
190: ok 30365
190: ok 30366
190: ok 30367
190: ok 30368
190: ok 30369
190: ok 30370
190: ok 30371
190: ok 30372
190: ok 30373
190: ok 30374
190: ok 30375
190: ok 30376
190: ok 30377
190: ok 30378
190: ok 30379
190: ok 30380
190: ok 30381
190: ok 30382
190: ok 30383
190: ok 30384
190: ok 30385
190: ok 30386
190: ok 30387
190: ok 30388
190: ok 30389
190: ok 30390
190: ok 30391
190: ok 30392
190: ok 30393
190: ok 30394
190: ok 30395
190: ok 30396
190: ok 30397
190: ok 30398
190: ok 30399
190: ok 30400
190: ok 30401
190: ok 30402
190: ok 30403
190: ok 30404
190: ok 30405
190: ok 30406
190: ok 30407
190: ok 30408
190: ok 30409
190: ok 30410
190: ok 30411
190: ok 30412
190: ok 30413
190: ok 30414
190: ok 30415
190: ok 30416
190: ok 30417
190: ok 30418
190: ok 30419
190: ok 30420
190: ok 30421
190: ok 30422
190: ok 30423
190: ok 30424
190: ok 30425
190: ok 30426
190: ok 30427
190: ok 30428
190: ok 30429
190: ok 30430
190: ok 30431
190: ok 30432
190: ok 30433
190: ok 30434
190: ok 30435
190: ok 30436
190: ok 30437
190: ok 30438
190: ok 30439
190: ok 30440
190: ok 30441
190: ok 30442
190: ok 30443
190: ok 30444
190: ok 30445
190: ok 30446
190: ok 30447
190: ok 30448
190: ok 30449
190: ok 30450
190: ok 30451
190: ok 30452
190: ok 30453
190: ok 30454
190: ok 30455
190: ok 30456
190: ok 30457
190: ok 30458
190: ok 30459
190: ok 30460
190: ok 30461
190: ok 30462
190: ok 30463
190: ok 30464
190: ok 30465
190: ok 30466
190: ok 30467
190: ok 30468
190: ok 30469
190: ok 30470
190: ok 30471
190: ok 30472
190: ok 30473
190: ok 30474
190: ok 30475
190: ok 30476
190: ok 30477
190: ok 30478
190: ok 30479
190: ok 30480
190: ok 30481
190: ok 30482
190: ok 30483
190: ok 30484
190: ok 30485
190: ok 30486
190: ok 30487
190: ok 30488
190: ok 30489
190: ok 30490
190: ok 30491
190: ok 30492
190: ok 30493
190: ok 30494
190: ok 30495
190: ok 30496
190: ok 30497
190: ok 30498
190: ok 30499
190: ok 30500
190: ok 30501
190: ok 30502
190: ok 30503
190: ok 30504
190: ok 30505
190: ok 30506
190: ok 30507
190: ok 30508
190: ok 30509
190: ok 30510
190: ok 30511
190: ok 30512
190: ok 30513
190: ok 30514
190: ok 30515
190: ok 30516
190: ok 30517
190: ok 30518
190: ok 30519
190: ok 30520
190: ok 30521
190: ok 30522
190: ok 30523
190: ok 30524
190: ok 30525
190: ok 30526
190: ok 30527
190: ok 30528
190: ok 30529
190: ok 30530
190: ok 30531
190: ok 30532
190: ok 30533
190: ok 30534
190: ok 30535
190: ok 30536
190: ok 30537
190: ok 30538
190: ok 30539
190: ok 30540
190: ok 30541
190: ok 30542
190: ok 30543
190: ok 30544
190: ok 30545
190: ok 30546
190: ok 30547
190: ok 30548
190: ok 30549
190: ok 30550
190: ok 30551
190: ok 30552
190: ok 30553
190: ok 30554
190: ok 30555
190: ok 30556
190: ok 30557
190: ok 30558
190: ok 30559
190: ok 30560
190: ok 30561
190: ok 30562
190: ok 30563
190: ok 30564
190: ok 30565
190: ok 30566
190: ok 30567
190: ok 30568
190: ok 30569
190: ok 30570
190: ok 30571
190: ok 30572
190: ok 30573
190: ok 30574
190: ok 30575
190: ok 30576
190: ok 30577
190: ok 30578
190: ok 30579
190: ok 30580
190: ok 30581
190: ok 30582
190: ok 30583
190: ok 30584
190: ok 30585
190: ok 30586
190: ok 30587
190: ok 30588
190: ok 30589
190: ok 30590
190: ok 30591
190: ok 30592
190: ok 30593
190: ok 30594
190: ok 30595
190: ok 30596
190: ok 30597
190: ok 30598
190: ok 30599
190: ok 30600
190: ok 30601
190: ok 30602
190: ok 30603
190: ok 30604
190: ok 30605
190: ok 30606
190: ok 30607
190: ok 30608
190: ok 30609
190: ok 30610
190: ok 30611
190: ok 30612
190: ok 30613
190: ok 30614
190: ok 30615
190: ok 30616
190: ok 30617
190: ok 30618
190: ok 30619
190: ok 30620
190: ok 30621
190: ok 30622
190: ok 30623
190: ok 30624
190: ok 30625
190: ok 30626
190: ok 30627
190: ok 30628
190: ok 30629
190: ok 30630
190: ok 30631
190: ok 30632
190: ok 30633
190: ok 30634
190: ok 30635
190: ok 30636
190: ok 30637
190: ok 30638
190: ok 30639
190: ok 30640
190: ok 30641
190: ok 30642
190: ok 30643
190: ok 30644
190: ok 30645
190: ok 30646
190: ok 30647
190: ok 30648
190: ok 30649
190: ok 30650
190: ok 30651
190: ok 30652
190: ok 30653
190: ok 30654
190: ok 30655
190: ok 30656
190: ok 30657
190: ok 30658
190: ok 30659
190: ok 30660
190: ok 30661
190: ok 30662
190: ok 30663
190: ok 30664
190: ok 30665
190: ok 30666
190: ok 30667
190: ok 30668
190: ok 30669
190: ok 30670
190: ok 30671
190: ok 30672
190: ok 30673
190: ok 30674
190: ok 30675
190: ok 30676
190: ok 30677
190: ok 30678
190: ok 30679
190: ok 30680
190: ok 30681
190: ok 30682
190: ok 30683
190: ok 30684
190: ok 30685
190: ok 30686
190: ok 30687
190: ok 30688
190: ok 30689
190: ok 30690
190: ok 30691
190: ok 30692
190: ok 30693
190: ok 30694
190: ok 30695
190: ok 30696
190: ok 30697
190: ok 30698
190: ok 30699
190: ok 30700
190: ok 30701
190: ok 30702
190: ok 30703
190: ok 30704
190: ok 30705
190: ok 30706
190: ok 30707
190: ok 30708
190: ok 30709
190: ok 30710
190: ok 30711
190: ok 30712
190: ok 30713
190: ok 30714
190: ok 30715
190: ok 30716
190: ok 30717
190: ok 30718
190: ok 30719
190: ok 30720
190: ok 30721
190: ok 30722
190: ok 30723
190: ok 30724
190: ok 30725
190: ok 30726
190: ok 30727
190: ok 30728
190: ok 30729
190: ok 30730
190: ok 30731
190: ok 30732
190: ok 30733
190: ok 30734
190: ok 30735
190: ok 30736
190: ok 30737
190: ok 30738
190: ok 30739
190: ok 30740
190: ok 30741
190: ok 30742
190: ok 30743
190: ok 30744
190: ok 30745
190: ok 30746
190: ok 30747
190: ok 30748
190: ok 30749
190: ok 30750
190: ok 30751
190: ok 30752
190: ok 30753
190: ok 30754
190: ok 30755
190: ok 30756
190: ok 30757
190: ok 30758
190: ok 30759
190: ok 30760
190: ok 30761
190: ok 30762
190: ok 30763
190: ok 30764
190: ok 30765
190: ok 30766
190: ok 30767
190: ok 30768
190: ok 30769
190: ok 30770
190: ok 30771
190: ok 30772
190: ok 30773
190: ok 30774
190: ok 30775
190: ok 30776
190: ok 30777
190: ok 30778
190: ok 30779
190: ok 30780
190: ok 30781
190: ok 30782
190: ok 30783
190: ok 30784
190: ok 30785
190: ok 30786
190: ok 30787
190: ok 30788
190: ok 30789
190: ok 30790
190: ok 30791
190: ok 30792
190: ok 30793
190: ok 30794
190: ok 30795
190: ok 30796
190: ok 30797
190: ok 30798
190: ok 30799
190: ok 30800
190: ok 30801
190: ok 30802
190: ok 30803
190: ok 30804
190: ok 30805
190: ok 30806
190: ok 30807
190: ok 30808
190: ok 30809
190: ok 30810
190: ok 30811
190: ok 30812
190: ok 30813
190: ok 30814
190: ok 30815
190: ok 30816
190: ok 30817
190: ok 30818
190: ok 30819
190: ok 30820
190: ok 30821
190: ok 30822
190: ok 30823
190: ok 30824
190: ok 30825
190: ok 30826
190: ok 30827
190: ok 30828
190: ok 30829
190: ok 30830
190: ok 30831
190: ok 30832
190: ok 30833
190: ok 30834
190: ok 30835
190: ok 30836
190: ok 30837
190: ok 30838
190: ok 30839
190: ok 30840
190: ok 30841
190: ok 30842
190: ok 30843
190: ok 30844
190: ok 30845
190: ok 30846
190: ok 30847
190: ok 30848
190: ok 30849
190: ok 30850
190: ok 30851
190: ok 30852
190: ok 30853
190: ok 30854
190: ok 30855
190: ok 30856
190: ok 30857
190: ok 30858
190: ok 30859
190: ok 30860
190: ok 30861
190: ok 30862
190: ok 30863
190: ok 30864
190: ok 30865
190: ok 30866
190: ok 30867
190: ok 30868
190: ok 30869
190: ok 30870
190: ok 30871
190: ok 30872
190: ok 30873
190: ok 30874
190: ok 30875
190: ok 30876
190: ok 30877
190: ok 30878
190: ok 30879
190: ok 30880
190: ok 30881
190: ok 30882
190: ok 30883
190: ok 30884
190: ok 30885
190: ok 30886
190: ok 30887
190: ok 30888
190: ok 30889
190: ok 30890
190: ok 30891
190: ok 30892
190: ok 30893
190: ok 30894
190: ok 30895
190: ok 30896
190: ok 30897
190: ok 30898
190: ok 30899
190: ok 30900
190: ok 30901
190: ok 30902
190: ok 30903
190: ok 30904
190: ok 30905
190: ok 30906
190: ok 30907
190: ok 30908
190: ok 30909
190: ok 30910
190: ok 30911
190: ok 30912
190: ok 30913
190: ok 30914
190: ok 30915
190: ok 30916
190: ok 30917
190: ok 30918
190: ok 30919
190: ok 30920
190: ok 30921
190: ok 30922
190: ok 30923
190: ok 30924
190: ok 30925
190: ok 30926
190: ok 30927
190: ok 30928
190: ok 30929
190: ok 30930
190: ok 30931
190: ok 30932
190: ok 30933
190: ok 30934
190: ok 30935
190: ok 30936
190: ok 30937
190: ok 30938
190: ok 30939
190: ok 30940
190: ok 30941
190: ok 30942
190: ok 30943
190: ok 30944
190: ok 30945
190: ok 30946
190: ok 30947
190: ok 30948
190: ok 30949
190: ok 30950
190: ok 30951
190: ok 30952
190: ok 30953
190: ok 30954
190: ok 30955
190: ok 30956
190: ok 30957
190: ok 30958
190: ok 30959
190: ok 30960
190: ok 30961
190: ok 30962
190: ok 30963
190: ok 30964
190: ok 30965
190: ok 30966
190: ok 30967
190: ok 30968
190: ok 30969
190: ok 30970
190: ok 30971
190: ok 30972
190: ok 30973
190: ok 30974
190: ok 30975
190: ok 30976
190: ok 30977
190: ok 30978
190: ok 30979
190: ok 30980
190: ok 30981
190: ok 30982
190: ok 30983
190: ok 30984
190: ok 30985
190: ok 30986
190: ok 30987
190: ok 30988
190: ok 30989
190: ok 30990
190: ok 30991
190: ok 30992
190: ok 30993
190: ok 30994
190: ok 30995
190: ok 30996
190: ok 30997
190: ok 30998
190: ok 30999
190: ok 31000
190: ok 31001
190: ok 31002
190: ok 31003
190: ok 31004
190: ok 31005
190: ok 31006
190: ok 31007
190: ok 31008
190: ok 31009
190: ok 31010
190: ok 31011
190: ok 31012
190: ok 31013
190: ok 31014
190: ok 31015
190: ok 31016
190: ok 31017
190: ok 31018
190: ok 31019
190: ok 31020
190: ok 31021
190: ok 31022
190: ok 31023
190: ok 31024
190: ok 31025
190: ok 31026
190: ok 31027
190: ok 31028
190: ok 31029
190: ok 31030
190: ok 31031
190: ok 31032
190: ok 31033
190: ok 31034
190: ok 31035
190: ok 31036
190: ok 31037
190: ok 31038
190: ok 31039
190: ok 31040
190: ok 31041
190: ok 31042
190: ok 31043
190: ok 31044
190: ok 31045
190: ok 31046
190: ok 31047
190: ok 31048
190: ok 31049
190: ok 31050
190: ok 31051
190: ok 31052
190: ok 31053
190: ok 31054
190: ok 31055
190: ok 31056
190: ok 31057
190: ok 31058
190: ok 31059
190: ok 31060
190: ok 31061
190: ok 31062
190: ok 31063
190: ok 31064
190: ok 31065
190: ok 31066
190: ok 31067
190: ok 31068
190: ok 31069
190: ok 31070
190: ok 31071
190: ok 31072
190: ok 31073
190: ok 31074
190: ok 31075
190: ok 31076
190: ok 31077
190: ok 31078
190: ok 31079
190: ok 31080
190: ok 31081
190: ok 31082
190: ok 31083
190: ok 31084
190: ok 31085
190: ok 31086
190: ok 31087
190: ok 31088
190: ok 31089
190: ok 31090
190: ok 31091
190: ok 31092
190: ok 31093
190: ok 31094
190: ok 31095
190: ok 31096
190: ok 31097
190: ok 31098
190: ok 31099
190: ok 31100
190: ok 31101
190: ok 31102
190: ok 31103
190: ok 31104
190: ok 31105
190: ok 31106
190: ok 31107
190: ok 31108
190: ok 31109
190: ok 31110
190: ok 31111
190: ok 31112
190: ok 31113
190: ok 31114
190: ok 31115
190: ok 31116
190: ok 31117
190: ok 31118
190: ok 31119
190: ok 31120
190: ok 31121
190: ok 31122
190: ok 31123
190: ok 31124
190: ok 31125
190: ok 31126
190: ok 31127
190: ok 31128
190: ok 31129
190: ok 31130
190: ok 31131
190: ok 31132
190: ok 31133
190: ok 31134
190: ok 31135
190: ok 31136
190: ok 31137
190: ok 31138
190: ok 31139
190: ok 31140
190: ok 31141
190: ok 31142
190: ok 31143
190: ok 31144
190: ok 31145
190: ok 31146
190: ok 31147
190: ok 31148
190: ok 31149
190: ok 31150
190: ok 31151
190: ok 31152
190: ok 31153
190: ok 31154
190: ok 31155
190: ok 31156
190: ok 31157
190: ok 31158
190: ok 31159
190: ok 31160
190: ok 31161
190: ok 31162
190: ok 31163
190: ok 31164
190: ok 31165
190: ok 31166
190: ok 31167
190: ok 31168
190: ok 31169
190: ok 31170
190: ok 31171
190: ok 31172
190: ok 31173
190: ok 31174
190: ok 31175
190: ok 31176
190: ok 31177
190: ok 31178
190: ok 31179
190: ok 31180
190: ok 31181
190: ok 31182
190: ok 31183
190: ok 31184
190: ok 31185
190: ok 31186
190: ok 31187
190: ok 31188
190: ok 31189
190: ok 31190
190: ok 31191
190: ok 31192
190: ok 31193
190: ok 31194
190: ok 31195
190: ok 31196
190: ok 31197
190: ok 31198
190: ok 31199
190: ok 31200
190: ok 31201
190: ok 31202
190: ok 31203
190: ok 31204
190: ok 31205
190: ok 31206
190: ok 31207
190: ok 31208
190: ok 31209
190: ok 31210
190: ok 31211
190: ok 31212
190: ok 31213
190: ok 31214
190: ok 31215
190: ok 31216
190: ok 31217
190: ok 31218
190: ok 31219
190: ok 31220
190: ok 31221
190: ok 31222
190: ok 31223
190: ok 31224
190: ok 31225
190: ok 31226
190: ok 31227
190: ok 31228
190: ok 31229
190: ok 31230
190: ok 31231
190: ok 31232
190: ok 31233
190: ok 31234
190: ok 31235
190: ok 31236
190: ok 31237
190: ok 31238
190: ok 31239
190: ok 31240
190: ok 31241
190: ok 31242
190: ok 31243
190: ok 31244
190: ok 31245
190: ok 31246
190: ok 31247
190: ok 31248
190: ok 31249
190: ok 31250
190: ok 31251
190: ok 31252
190: ok 31253
190: ok 31254
190: ok 31255
190: ok 31256
190: ok 31257
190: ok 31258
190: ok 31259
190: ok 31260
190: ok 31261
190: ok 31262
190: ok 31263
190: ok 31264
190: ok 31265
190: ok 31266
190: ok 31267
190: ok 31268
190: ok 31269
190: ok 31270
190: ok 31271
190: ok 31272
190: ok 31273
190: ok 31274
190: ok 31275
190: ok 31276
190: ok 31277
190: ok 31278
190: ok 31279
190: ok 31280
190: ok 31281
190: ok 31282
190: ok 31283
190: ok 31284
190: ok 31285
190: ok 31286
190: ok 31287
190: ok 31288
190: ok 31289
190: ok 31290
190: ok 31291
190: ok 31292
190: ok 31293
190: ok 31294
190: ok 31295
190: ok 31296
190: ok 31297
190: ok 31298
190: ok 31299
190: ok 31300
190: ok 31301
190: ok 31302
190: ok 31303
190: ok 31304
190: ok 31305
190: ok 31306
190: ok 31307
190: ok 31308
190: ok 31309
190: ok 31310
190: ok 31311
190: ok 31312
190: ok 31313
190: ok 31314
190: ok 31315
190: ok 31316
190: ok 31317
190: ok 31318
190: ok 31319
190: ok 31320
190: ok 31321
190: ok 31322
190: ok 31323
190: ok 31324
190: ok 31325
190: ok 31326
190: ok 31327
190: ok 31328
190: ok 31329
190: ok 31330
190: ok 31331
190: ok 31332
190: ok 31333
190: ok 31334
190: ok 31335
190: ok 31336
190: ok 31337
190: ok 31338
190: ok 31339
190: ok 31340
190: ok 31341
190: ok 31342
190: ok 31343
190: ok 31344
190: ok 31345
190: ok 31346
190: ok 31347
190: ok 31348
190: ok 31349
190: ok 31350
190: ok 31351
190: ok 31352
190: ok 31353
190: ok 31354
190: ok 31355
190: ok 31356
190: ok 31357
190: ok 31358
190: ok 31359
190: ok 31360
190: ok 31361
190: ok 31362
190: ok 31363
190: ok 31364
190: ok 31365
190: ok 31366
190: ok 31367
190: ok 31368
190: ok 31369
190: ok 31370
190: ok 31371
190: ok 31372
190: ok 31373
190: ok 31374
190: ok 31375
190: ok 31376
190: ok 31377
190: ok 31378
190: ok 31379
190: ok 31380
190: ok 31381
190: ok 31382
190: ok 31383
190: ok 31384
190: ok 31385
190: ok 31386
190: ok 31387
190: ok 31388
190: ok 31389
190: ok 31390
190: ok 31391
190: ok 31392
190: ok 31393
190: ok 31394
190: ok 31395
190: ok 31396
190: ok 31397
190: ok 31398
190: ok 31399
190: ok 31400
190: ok 31401
190: ok 31402
190: ok 31403
190: ok 31404
190: ok 31405
190: ok 31406
190: ok 31407
190: ok 31408
190: ok 31409
190: ok 31410
190: ok 31411
190: ok 31412
190: ok 31413
190: ok 31414
190: ok 31415
190: ok 31416
190: ok 31417
190: ok 31418
190: ok 31419
190: ok 31420
190: ok 31421
190: ok 31422
190: ok 31423
190: ok 31424
190: ok 31425
190: ok 31426
190: ok 31427
190: ok 31428
190: ok 31429
190: ok 31430
190: ok 31431
190: ok 31432
190: ok 31433
190: ok 31434
190: ok 31435
190: ok 31436
190: ok 31437
190: ok 31438
190: ok 31439
190: ok 31440
190: ok 31441
190: ok 31442
190: ok 31443
190: ok 31444
190: ok 31445
190: ok 31446
190: ok 31447
190: ok 31448
190: ok 31449
190: ok 31450
190: ok 31451
190: ok 31452
190: ok 31453
190: ok 31454
190: ok 31455
190: ok 31456
190: ok 31457
190: ok 31458
190: ok 31459
190: ok 31460
190: ok 31461
190: ok 31462
190: ok 31463
190: ok 31464
190: ok 31465
190: ok 31466
190: ok 31467
190: ok 31468
190: ok 31469
190: ok 31470
190: ok 31471
190: ok 31472
190: ok 31473
190: ok 31474
190: ok 31475
190: ok 31476
190: ok 31477
190: ok 31478
190: ok 31479
190: ok 31480
190: ok 31481
190: ok 31482
190: ok 31483
190: ok 31484
190: ok 31485
190: ok 31486
190: ok 31487
190: ok 31488
190: ok 31489
190: ok 31490
190: ok 31491
190: ok 31492
190: ok 31493
190: ok 31494
190: ok 31495
190: ok 31496
190: ok 31497
190: ok 31498
190: ok 31499
190: ok 31500
190: ok 31501
190: ok 31502
190: ok 31503
190: ok 31504
190: ok 31505
190: ok 31506
190: ok 31507
190: ok 31508
190: ok 31509
190: ok 31510
190: ok 31511
190: ok 31512
190: ok 31513
190: ok 31514
190: ok 31515
190: ok 31516
190: ok 31517
190: ok 31518
190: ok 31519
190: ok 31520
190: ok 31521
190: ok 31522
190: ok 31523
190: ok 31524
190: ok 31525
190: ok 31526
190: ok 31527
190: ok 31528
190: ok 31529
190: ok 31530
190: ok 31531
190: ok 31532
190: ok 31533
190: ok 31534
190: ok 31535
190: ok 31536
190: ok 31537
190: ok 31538
190: ok 31539
190: ok 31540
190: ok 31541
190: ok 31542
190: ok 31543
190: ok 31544
190: ok 31545
190: ok 31546
190: ok 31547
190: ok 31548
190: ok 31549
190: ok 31550
190: ok 31551
190: ok 31552
190: ok 31553
190: ok 31554
190: ok 31555
190: ok 31556
190: ok 31557
190: ok 31558
190: ok 31559
190: ok 31560
190: ok 31561
190: ok 31562
190: ok 31563
190: ok 31564
190: ok 31565
190: ok 31566
190: ok 31567
190: ok 31568
190: ok 31569
190: ok 31570
190: ok 31571
190: ok 31572
190: ok 31573
190: ok 31574
190: ok 31575
190: ok 31576
190: ok 31577
190: ok 31578
190: ok 31579
190: ok 31580
190: ok 31581
190: ok 31582
190: ok 31583
190: ok 31584
190: ok 31585
190: ok 31586
190: ok 31587
190: ok 31588
190: ok 31589
190: ok 31590
190: ok 31591
190: ok 31592
190: ok 31593
190: ok 31594
190: ok 31595
190: ok 31596
190: ok 31597
190: ok 31598
190: ok 31599
190: ok 31600
190: ok 31601
190: ok 31602
190: ok 31603
190: ok 31604
190: ok 31605
190: ok 31606
190: ok 31607
190: ok 31608
190: ok 31609
190: ok 31610
190: ok 31611
190: ok 31612
190: ok 31613
190: ok 31614
190: ok 31615
190: ok 31616
190: ok 31617
190: ok 31618
190: ok 31619
190: ok 31620
190: ok 31621
190: ok 31622
190: ok 31623
190: ok 31624
190: ok 31625
190: ok 31626
190: ok 31627
190: ok 31628
190: ok 31629
190: ok 31630
190: ok 31631
190: ok 31632
190: ok 31633
190: ok 31634
190: ok 31635
190: ok 31636
190: ok 31637
190: ok 31638
190: ok 31639
190: ok 31640
190: ok 31641
190: ok 31642
190: ok 31643
190: ok 31644
190: ok 31645
190: ok 31646
190: ok 31647
190: ok 31648
190: ok 31649
190: ok 31650
190: ok 31651
190: ok 31652
190: ok 31653
190: ok 31654
190: ok 31655
190: ok 31656
190: ok 31657
190: ok 31658
190: ok 31659
190: ok 31660
190: ok 31661
190: ok 31662
190: ok 31663
190: ok 31664
190: ok 31665
190: ok 31666
190: ok 31667
190: ok 31668
190: ok 31669
190: ok 31670
190: ok 31671
190: ok 31672
190: ok 31673
190: ok 31674
190: ok 31675
190: ok 31676
190: ok 31677
190: ok 31678
190: ok 31679
190: ok 31680
190: ok 31681
190: ok 31682
190: ok 31683
190: ok 31684
190: ok 31685
190: ok 31686
190: ok 31687
190: ok 31688
190: ok 31689
190: ok 31690
190: ok 31691
190: ok 31692
190: ok 31693
190: ok 31694
190: ok 31695
190: ok 31696
190: ok 31697
190: ok 31698
190: ok 31699
190: ok 31700
190: ok 31701
190: ok 31702
190: ok 31703
190: ok 31704
190: ok 31705
190: ok 31706
190: ok 31707
190: ok 31708
190: ok 31709
190: ok 31710
190: ok 31711
190: ok 31712
190: ok 31713
190: ok 31714
190: ok 31715
190: ok 31716
190: ok 31717
190: ok 31718
190: ok 31719
190: ok 31720
190: ok 31721
190: ok 31722
190: ok 31723
190: ok 31724
190: ok 31725
190: ok 31726
190: ok 31727
190: ok 31728
190: ok 31729
190: ok 31730
190: ok 31731
190: ok 31732
190: ok 31733
190: ok 31734
190: ok 31735
190: ok 31736
190: ok 31737
190: ok 31738
190: ok 31739
190: ok 31740
190: ok 31741
190: ok 31742
190: ok 31743
190: ok 31744
190: ok 31745
190: ok 31746
190: ok 31747
190: ok 31748
190: ok 31749
190: ok 31750
190: ok 31751
190: ok 31752
190: ok 31753
190: ok 31754
190: ok 31755
190: ok 31756
190: ok 31757
190: ok 31758
190: ok 31759
190: ok 31760
190: ok 31761
190: ok 31762
190: ok 31763
190: ok 31764
190: ok 31765
190: ok 31766
190: ok 31767
190: ok 31768
190: ok 31769
190: ok 31770
190: ok 31771
190: ok 31772
190: ok 31773
190: ok 31774
190: ok 31775
190: ok 31776
190: ok 31777
190: ok 31778
190: ok 31779
190: ok 31780
190: ok 31781
190: ok 31782
190: ok 31783
190: ok 31784
190: ok 31785
190: ok 31786
190: ok 31787
190: ok 31788
190: ok 31789
190: ok 31790
190: ok 31791
190: ok 31792
190: ok 31793
190: ok 31794
190: ok 31795
190: ok 31796
190: ok 31797
190: ok 31798
190: ok 31799
190: ok 31800
190: ok 31801
190: ok 31802
190: ok 31803
190: ok 31804
190: ok 31805
190: ok 31806
190: ok 31807
190: ok 31808
190: ok 31809
190: ok 31810
190: ok 31811
190: ok 31812
190: ok 31813
190: ok 31814
190: ok 31815
190: ok 31816
190: ok 31817
190: ok 31818
190: ok 31819
190: ok 31820
190: ok 31821
190: ok 31822
190: ok 31823
190: ok 31824
190: ok 31825
190: ok 31826
190: ok 31827
190: ok 31828
190: ok 31829
190: ok 31830
190: ok 31831
190: ok 31832
190: ok 31833
190: ok 31834
190: ok 31835
190: ok 31836
190: ok 31837
190: ok 31838
190: ok 31839
190: ok 31840
190: ok 31841
190: ok 31842
190: ok 31843
190: ok 31844
190: ok 31845
190: ok 31846
190: ok 31847
190: ok 31848
190: ok 31849
190: ok 31850
190: ok 31851
190: ok 31852
190: ok 31853
190: ok 31854
190: ok 31855
190: ok 31856
190: ok 31857
190: ok 31858
190: ok 31859
190: ok 31860
190: ok 31861
190: ok 31862
190: ok 31863
190: ok 31864
190: ok 31865
190: ok 31866
190: ok 31867
190: ok 31868
190: ok 31869
190: ok 31870
190: ok 31871
190: ok 31872
190: ok 31873
190: ok 31874
190: ok 31875
190: ok 31876
190: ok 31877
190: ok 31878
190: ok 31879
190: ok 31880
190: ok 31881
190: ok 31882
190: ok 31883
190: ok 31884
190: ok 31885
190: ok 31886
190: ok 31887
190: ok 31888
190: ok 31889
190: ok 31890
190: ok 31891
190: ok 31892
190: ok 31893
190: ok 31894
190: ok 31895
190: ok 31896
190: ok 31897
190: ok 31898
190: ok 31899
190: ok 31900
190: ok 31901
190: ok 31902
190: ok 31903
190: ok 31904
190: ok 31905
190: ok 31906
190: ok 31907
190: ok 31908
190: ok 31909
190: ok 31910
190: ok 31911
190: ok 31912
190: ok 31913
190: ok 31914
190: ok 31915
190: ok 31916
190: ok 31917
190: ok 31918
190: ok 31919
190: ok 31920
190: ok 31921
190: ok 31922
190: ok 31923
190: ok 31924
190: ok 31925
190: ok 31926
190: ok 31927
190: ok 31928
190: ok 31929
190: ok 31930
190: ok 31931
190: ok 31932
190: ok 31933
190: ok 31934
190: ok 31935
190: ok 31936
190: ok 31937
190: ok 31938
190: ok 31939
190: ok 31940
190: ok 31941
190: ok 31942
190: ok 31943
190: ok 31944
190: ok 31945
190: ok 31946
190: ok 31947
190: ok 31948
190: ok 31949
190: ok 31950
190: ok 31951
190: ok 31952
190: ok 31953
190: ok 31954
190: ok 31955
190: ok 31956
190: ok 31957
190: ok 31958
190: ok 31959
190: ok 31960
190: ok 31961
190: ok 31962
190: ok 31963
190: ok 31964
190: ok 31965
190: ok 31966
190: ok 31967
190: ok 31968
190: ok 31969
190: ok 31970
190: ok 31971
190: ok 31972
190: ok 31973
190: ok 31974
190: ok 31975
190: ok 31976
190: ok 31977
190: ok 31978
190: ok 31979
190: ok 31980
190: ok 31981
190: ok 31982
190: ok 31983
190: ok 31984
190: ok 31985
190: ok 31986
190: ok 31987
190: ok 31988
190: ok 31989
190: ok 31990
190: ok 31991
190: ok 31992
190: ok 31993
190: ok 31994
190: ok 31995
190: ok 31996
190: ok 31997
190: ok 31998
190: ok 31999
190: ok 32000
190: ok 32001
190: ok 32002
190: ok 32003
190: ok 32004
190: ok 32005
190: ok 32006
190: ok 32007
190: ok 32008
190: ok 32009
190: ok 32010
190: ok 32011
190: ok 32012
190: ok 32013
190: ok 32014
190: ok 32015
190: ok 32016
190: ok 32017
190: ok 32018
190: ok 32019
190: ok 32020
190: ok 32021
190: ok 32022
190: ok 32023
190: ok 32024
190: ok 32025
190: ok 32026
190: ok 32027
190: ok 32028
190: ok 32029
190: ok 32030
190: ok 32031
190: ok 32032
190: ok 32033
190: ok 32034
190: ok 32035
190: ok 32036
190: ok 32037
190: ok 32038
190: ok 32039
190: ok 32040
190: ok 32041
190: ok 32042
190: ok 32043
190: ok 32044
190: ok 32045
190: ok 32046
190: ok 32047
190: ok 32048
190: ok 32049
190: ok 32050
190: ok 32051
190: ok 32052
190: ok 32053
190: ok 32054
190: ok 32055
190: ok 32056
190: ok 32057
190: ok 32058
190: ok 32059
190: ok 32060
190: ok 32061
190: ok 32062
190: ok 32063
190: ok 32064
190: ok 32065
190: ok 32066
190: ok 32067
190: ok 32068
190: ok 32069
190: ok 32070
190: ok 32071
190: ok 32072
190: ok 32073
190: ok 32074
190: ok 32075
190: ok 32076
190: ok 32077
190: ok 32078
190: ok 32079
190: ok 32080
190: ok 32081
190: ok 32082
190: ok 32083
190: ok 32084
190: ok 32085
190: ok 32086
190: ok 32087
190: ok 32088
190: ok 32089
190: ok 32090
190: ok 32091
190: ok 32092
190: ok 32093
190: ok 32094
190: ok 32095
190: ok 32096
190: ok 32097
190: ok 32098
190: ok 32099
190: ok 32100
190: ok 32101
190: ok 32102
190: ok 32103
190: ok 32104
190: ok 32105
190: ok 32106
190: ok 32107
190: ok 32108
190: ok 32109
190: ok 32110
190: ok 32111
190: ok 32112
190: ok 32113
190: ok 32114
190: ok 32115
190: ok 32116
190: ok 32117
190: ok 32118
190: ok 32119
190: ok 32120
190: ok 32121
190: ok 32122
190: ok 32123
190: ok 32124
190: ok 32125
190: ok 32126
190: ok 32127
190: ok 32128
190: ok 32129
190: ok 32130
190: ok 32131
190: ok 32132
190: ok 32133
190: ok 32134
190: ok 32135
190: ok 32136
190: ok 32137
190: ok 32138
190: ok 32139
190: ok 32140
190: ok 32141
190: ok 32142
190: ok 32143
190: ok 32144
190: ok 32145
190: ok 32146
190: ok 32147
190: ok 32148
190: ok 32149
190: ok 32150
190: ok 32151
190: ok 32152
190: ok 32153
190: ok 32154
190: ok 32155
190: ok 32156
190: ok 32157
190: ok 32158
190: ok 32159
190: ok 32160
190: ok 32161
190: ok 32162
190: ok 32163
190: ok 32164
190: ok 32165
190: ok 32166
190: ok 32167
190: ok 32168
190: ok 32169
190: ok 32170
190: ok 32171
190: ok 32172
190: ok 32173
190: ok 32174
190: ok 32175
190: ok 32176
190: ok 32177
190: ok 32178
190: ok 32179
190: ok 32180
190: ok 32181
190: ok 32182
190: ok 32183
190: ok 32184
190: ok 32185
190: ok 32186
190: ok 32187
190: ok 32188
190: ok 32189
190: ok 32190
190: ok 32191
190: ok 32192
190: ok 32193
190: ok 32194
190: ok 32195
190: ok 32196
190: ok 32197
190: ok 32198
190: ok 32199
190: ok 32200
190: ok 32201
190: ok 32202
190: ok 32203
190: ok 32204
190: ok 32205
190: ok 32206
190: ok 32207
190: ok 32208
190: ok 32209
190: ok 32210
190: ok 32211
190: ok 32212
190: ok 32213
190: ok 32214
190: ok 32215
190: ok 32216
190: ok 32217
190: ok 32218
190: ok 32219
190: ok 32220
190: ok 32221
190: ok 32222
190: ok 32223
190: ok 32224
190: ok 32225
190: ok 32226
190: ok 32227
190: ok 32228
190: ok 32229
190: ok 32230
190: ok 32231
190: ok 32232
190: ok 32233
190: ok 32234
190: ok 32235
190: ok 32236
190: ok 32237
190: ok 32238
190: ok 32239
190: ok 32240
190: ok 32241
190: ok 32242
190: ok 32243
190: ok 32244
190: ok 32245
190: ok 32246
190: ok 32247
190: ok 32248
190: ok 32249
190: ok 32250
190: ok 32251
190: ok 32252
190: ok 32253
190: ok 32254
190: ok 32255
190: ok 32256
190: ok 32257
190: ok 32258
190: ok 32259
190: ok 32260
190: ok 32261
190: ok 32262
190: ok 32263
190: ok 32264
190: ok 32265
190: ok 32266
190: ok 32267
190: ok 32268
190: ok 32269
190: ok 32270
190: ok 32271
190: ok 32272
190: ok 32273
190: ok 32274
190: ok 32275
190: ok 32276
190: ok 32277
190: ok 32278
190: ok 32279
190: ok 32280
190: ok 32281
190: ok 32282
190: ok 32283
190: ok 32284
190: ok 32285
190: ok 32286
190: ok 32287
190: ok 32288
190: ok 32289
190: ok 32290
190: ok 32291
190: ok 32292
190: ok 32293
190: ok 32294
190: ok 32295
190: ok 32296
190: ok 32297
190: ok 32298
190: ok 32299
190: ok 32300
190: ok 32301
190: ok 32302
190: ok 32303
190: ok 32304
190: ok 32305
190: ok 32306
190: ok 32307
190: ok 32308
190: ok 32309
190: ok 32310
190: ok 32311
190: ok 32312
190: ok 32313
190: ok 32314
190: ok 32315
190: ok 32316
190: ok 32317
190: ok 32318
190: ok 32319
190: ok 32320
190: ok 32321
190: ok 32322
190: ok 32323
190: ok 32324
190: ok 32325
190: ok 32326
190: ok 32327
190: ok 32328
190: ok 32329
190: ok 32330
190: ok 32331
190: ok 32332
190: ok 32333
190: ok 32334
190: ok 32335
190: ok 32336
190: ok 32337
190: ok 32338
190: ok 32339
190: ok 32340
190: ok 32341
190: ok 32342
190: ok 32343
190: ok 32344
190: ok 32345
190: ok 32346
190: ok 32347
190: ok 32348
190: ok 32349
190: ok 32350
190: ok 32351
190: ok 32352
190: ok 32353
190: ok 32354
190: ok 32355
190: ok 32356
190: ok 32357
190: ok 32358
190: ok 32359
190: ok 32360
190: ok 32361
190: ok 32362
190: ok 32363
190: ok 32364
190: ok 32365
190: ok 32366
190: ok 32367
190: ok 32368
190: ok 32369
190: ok 32370
190: ok 32371
190: ok 32372
190: ok 32373
190: ok 32374
190: ok 32375
190: ok 32376
190: ok 32377
190: ok 32378
190: ok 32379
190: ok 32380
190: ok 32381
190: ok 32382
190: ok 32383
190: ok 32384
190: ok 32385
190: ok 32386
190: ok 32387
190: ok 32388
190: ok 32389
190: ok 32390
190: ok 32391
190: ok 32392
190: ok 32393
190: ok 32394
190: ok 32395
190: ok 32396
190: ok 32397
190: ok 32398
190: ok 32399
190: ok 32400
190: ok 32401
190: ok 32402
190: ok 32403
190: ok 32404
190: ok 32405
190: ok 32406
190: ok 32407
190: ok 32408
190: ok 32409
190: ok 32410
190: ok 32411
190: ok 32412
190: ok 32413
190: ok 32414
190: ok 32415
190: ok 32416
190: ok 32417
190: ok 32418
190: ok 32419
190: ok 32420
190: ok 32421
190: ok 32422
190: ok 32423
190: ok 32424
190: ok 32425
190: ok 32426
190: ok 32427
190: ok 32428
190: ok 32429
190: ok 32430
190: ok 32431
190: ok 32432
190: ok 32433
190: ok 32434
190: ok 32435
190: ok 32436
190: ok 32437
190: ok 32438
190: ok 32439
190: ok 32440
190: ok 32441
190: ok 32442
190: ok 32443
190: ok 32444
190: ok 32445
190: ok 32446
190: ok 32447
190: ok 32448
190: ok 32449
190: ok 32450
190: ok 32451
190: ok 32452
190: ok 32453
190: ok 32454
190: ok 32455
190: ok 32456
190: ok 32457
190: ok 32458
190: ok 32459
190: ok 32460
190: ok 32461
190: ok 32462
190: ok 32463
190: ok 32464
190: ok 32465
190: ok 32466
190: ok 32467
190: ok 32468
190: ok 32469
190: ok 32470
190: ok 32471
190: ok 32472
190: ok 32473
190: ok 32474
190: ok 32475
190: ok 32476
190: ok 32477
190: ok 32478
190: ok 32479
190: ok 32480
190: ok 32481
190: ok 32482
190: ok 32483
190: ok 32484
190: ok 32485
190: ok 32486
190: ok 32487
190: ok 32488
190: ok 32489
190: ok 32490
190: ok 32491
190: ok 32492
190: ok 32493
190: ok 32494
190: ok 32495
190: ok 32496
190: ok 32497
190: ok 32498
190: ok 32499
190: ok 32500
190: ok 32501
190: ok 32502
190: ok 32503
190: ok 32504
190: ok 32505
190: ok 32506
190: ok 32507
190: ok 32508
190: ok 32509
190: ok 32510
190: ok 32511
190: ok 32512
190: ok 32513
190: ok 32514
190: ok 32515
190: ok 32516
190: ok 32517
190: ok 32518
190: ok 32519
190: ok 32520
190: ok 32521
190: ok 32522
190: ok 32523
190: ok 32524
190: ok 32525
190: ok 32526
190: ok 32527
190: ok 32528
190: ok 32529
190: ok 32530
190: ok 32531
190: ok 32532
190: ok 32533
190: ok 32534
190: ok 32535
190: ok 32536
190: ok 32537
190: ok 32538
190: ok 32539
190: ok 32540
190: ok 32541
190: ok 32542
190: ok 32543
190: ok 32544
190: ok 32545
190: ok 32546
190: ok 32547
190: ok 32548
190: ok 32549
190: ok 32550
190: ok 32551
190: ok 32552
190: ok 32553
190: ok 32554
190: ok 32555
190: ok 32556
190: ok 32557
190: ok 32558
190: ok 32559
190: ok 32560
190: ok 32561
190: ok 32562
190: ok 32563
190: ok 32564
190: ok 32565
190: ok 32566
190: ok 32567
190: ok 32568
190: ok 32569
190: ok 32570
190: ok 32571
190: ok 32572
190: ok 32573
190: ok 32574
190: ok 32575
190: ok 32576
190: ok 32577
190: ok 32578
190: ok 32579
190: ok 32580
190: ok 32581
190: ok 32582
190: ok 32583
190: ok 32584
190: ok 32585
190: ok 32586
190: ok 32587
190: ok 32588
190: ok 32589
190: ok 32590
190: ok 32591
190: ok 32592
190: ok 32593
190: ok 32594
190: ok 32595
190: ok 32596
190: ok 32597
190: ok 32598
190: ok 32599
190: ok 32600
190: ok 32601
190: ok 32602
190: ok 32603
190: ok 32604
190: ok 32605
190: ok 32606
190: ok 32607
190: ok 32608
190: ok 32609
190: ok 32610
190: ok 32611
190: ok 32612
190: ok 32613
190: ok 32614
190: ok 32615
190: ok 32616
190: ok 32617
190: ok 32618
190: ok 32619
190: ok 32620
190: ok 32621
190: ok 32622
190: ok 32623
190: ok 32624
190: ok 32625
190: ok 32626
190: ok 32627
190: ok 32628
190: ok 32629
190: ok 32630
190: ok 32631
190: ok 32632
190: ok 32633
190: ok 32634
190: ok 32635
190: ok 32636
190: ok 32637
190: ok 32638
190: ok 32639
190: ok 32640
190: ok 32641
190: ok 32642
190: ok 32643
190: ok 32644
190: ok 32645
190: ok 32646
190: ok 32647
190: ok 32648
190: ok 32649
190: ok 32650
190: ok 32651
190: ok 32652
190: ok 32653
190: ok 32654
190: ok 32655
190: ok 32656
190: ok 32657
190: ok 32658
190: ok 32659
190: ok 32660
190: ok 32661
190: ok 32662
190: ok 32663
190: ok 32664
190: ok 32665
190: ok 32666
190: ok 32667
190: ok 32668
190: ok 32669
190: ok 32670
190: ok 32671
190: ok 32672
190: ok 32673
190: ok 32674
190: ok 32675
190: ok 32676
190: ok 32677
190: ok 32678
190: ok 32679
190: ok 32680
190: ok 32681
190: ok 32682
190: ok 32683
190: ok 32684
190: ok 32685
190: ok 32686
190: ok 32687
190: ok 32688
190: ok 32689
190: ok 32690
190: ok 32691
190: ok 32692
190: ok 32693
190: ok 32694
190: ok 32695
190: ok 32696
190: ok 32697
190: ok 32698
190: ok 32699
190: ok 32700
190: ok 32701
190: ok 32702
190: ok 32703
190: ok 32704
190: ok 32705
190: ok 32706
190: ok 32707
190: ok 32708
190: ok 32709
190: ok 32710
190: ok 32711
190: ok 32712
190: ok 32713
190: ok 32714
190: ok 32715
190: ok 32716
190: ok 32717
190: ok 32718
190: ok 32719
190: ok 32720
190: ok 32721
190: ok 32722
190: ok 32723
190: ok 32724
190: ok 32725
190: ok 32726
190: ok 32727
190: ok 32728
190: ok 32729
190: ok 32730
190: ok 32731
190: ok 32732
190: ok 32733
190: ok 32734
190: ok 32735
190: ok 32736
190: ok 32737
190: ok 32738
190: ok 32739
190: ok 32740
190: ok 32741
190: ok 32742
190: ok 32743
190: ok 32744
190: ok 32745
190: ok 32746
190: ok 32747
190: ok 32748
190: ok 32749
190: ok 32750
190: ok 32751
190: ok 32752
190: ok 32753
190: ok 32754
190: ok 32755
190: ok 32756
190: ok 32757
190: ok 32758
190: ok 32759
190: ok 32760
190: ok 32761
190: ok 32762
190: ok 32763
190: ok 32764
190: ok 32765
190: ok 32766
190: ok 32767
190: ok 32768
190: ok 32769
190: ok 32770
190: ok 32771
190: ok 32772
190: ok 32773
190: ok 32774
190: ok 32775
190: ok 32776
190: ok 32777
190: ok 32778
190: ok 32779
190: ok 32780
190: ok 32781
190: ok 32782
190: ok 32783
190: ok 32784
190: ok 32785
190: ok 32786
190: ok 32787
190: ok 32788
190: ok 32789
190: ok 32790
190: ok 32791
190: ok 32792
190: ok 32793
190: ok 32794
190: ok 32795
190: ok 32796
190: ok 32797
190: ok 32798
190: ok 32799
190: ok 32800
190: ok 32801
190: ok 32802
190: ok 32803
190: ok 32804
190: ok 32805
190: ok 32806
190: ok 32807
190: ok 32808
190: ok 32809
190: ok 32810
190: ok 32811
190: ok 32812
190: ok 32813
190: ok 32814
190: ok 32815
190: ok 32816
190: ok 32817
190: ok 32818
190: ok 32819
190: ok 32820
190: ok 32821
190: ok 32822
190: ok 32823
190: ok 32824
190: ok 32825
190: ok 32826
190: ok 32827
190: ok 32828
190: ok 32829
190: ok 32830
190: ok 32831
190: ok 32832
190: ok 32833
190: ok 32834
190: ok 32835
190: ok 32836
190: ok 32837
190: ok 32838
190: ok 32839
190: ok 32840
190: ok 32841
190: ok 32842
190: ok 32843
190: ok 32844
190: ok 32845
190: ok 32846
190: ok 32847
190: ok 32848
190: ok 32849
190: ok 32850
190: ok 32851
190: ok 32852
190: ok 32853
190: ok 32854
190: ok 32855
190: ok 32856
190: ok 32857
190: ok 32858
190: ok 32859
190: ok 32860
190: ok 32861
190: ok 32862
190: ok 32863
190: ok 32864
190: ok 32865
190: ok 32866
190: ok 32867
190: ok 32868
190: ok 32869
190: ok 32870
190: ok 32871
190: ok 32872
190: ok 32873
190: ok 32874
190: ok 32875
190: ok 32876
190: ok 32877
190: ok 32878
190: ok 32879
190: ok 32880
190: ok 32881
190: ok 32882
190: ok 32883
190: ok 32884
190: ok 32885
190: ok 32886
190: ok 32887
190: ok 32888
190: ok 32889
190: ok 32890
190: ok 32891
190: ok 32892
190: ok 32893
190: ok 32894
190: ok 32895
190: ok 32896
190: ok 32897
190: ok 32898
190: ok 32899
190: ok 32900
190: ok 32901
190: ok 32902
190: ok 32903
190: ok 32904
190: ok 32905
190: ok 32906
190: ok 32907
190: ok 32908
190: ok 32909
190: ok 32910
190: ok 32911
190: ok 32912
190: ok 32913
190: ok 32914
190: ok 32915
190: ok 32916
190: ok 32917
190: ok 32918
190: ok 32919
190: ok 32920
190: ok 32921
190: ok 32922
190: ok 32923
190: ok 32924
190: ok 32925
190: ok 32926
190: ok 32927
190: ok 32928
190: ok 32929
190: ok 32930
190: ok 32931
190: ok 32932
190: ok 32933
190: ok 32934
190: ok 32935
190: ok 32936
190: ok 32937
190: ok 32938
190: ok 32939
190: ok 32940
190: ok 32941
190: ok 32942
190: ok 32943
190: ok 32944
190: ok 32945
190: ok 32946
190: ok 32947
190: ok 32948
190: ok 32949
190: ok 32950
190: ok 32951
190: ok 32952
190: ok 32953
190: ok 32954
190: ok 32955
190: ok 32956
190: ok 32957
190: ok 32958
190: ok 32959
190: ok 32960
190: ok 32961
190: ok 32962
190: ok 32963
190: ok 32964
190: ok 32965
190: ok 32966
190: ok 32967
190: ok 32968
190: ok 32969
190: ok 32970
190: ok 32971
190: ok 32972
190: ok 32973
190: ok 32974
190: ok 32975
190: ok 32976
190: ok 32977
190: ok 32978
190: ok 32979
190: ok 32980
190: ok 32981
190: ok 32982
190: ok 32983
190: ok 32984
190: ok 32985
190: ok 32986
190: ok 32987
190: ok 32988
190: ok 32989
190: ok 32990
190: ok 32991
190: ok 32992
190: ok 32993
190: ok 32994
190: ok 32995
190: ok 32996
190: ok 32997
190: ok 32998
190: ok 32999
190: ok 33000
190: ok 33001
190: ok 33002
190: ok 33003
190: ok 33004
190: ok 33005
190: ok 33006
190: ok 33007
190: ok 33008
190: ok 33009
190: ok 33010
190: ok 33011
190: ok 33012
190: ok 33013
190: ok 33014
190: ok 33015
190: ok 33016
190: ok 33017
190: ok 33018
190: ok 33019
190: ok 33020
190: ok 33021
190: ok 33022
190: ok 33023
190: ok 33024
190: ok 33025
190: ok 33026
190: ok 33027
190: ok 33028
190: ok 33029
190: ok 33030
190: ok 33031
190: ok 33032
190: ok 33033
190: ok 33034
190: ok 33035
190: ok 33036
190: ok 33037
190: ok 33038
190: ok 33039
190: ok 33040
190: ok 33041
190: ok 33042
190: ok 33043
190: ok 33044
190: ok 33045
190: ok 33046
190: ok 33047
190: ok 33048
190: ok 33049
190: ok 33050
190: ok 33051
190: ok 33052
190: ok 33053
190: ok 33054
190: ok 33055
190: ok 33056
190: ok 33057
190: ok 33058
190: ok 33059
190: ok 33060
190: ok 33061
190: ok 33062
190: ok 33063
190: ok 33064
190: ok 33065
190: ok 33066
190: ok 33067
190: ok 33068
190: ok 33069
190: ok 33070
190: ok 33071
190: ok 33072
190: ok 33073
190: ok 33074
190: ok 33075
190: ok 33076
190: ok 33077
190: ok 33078
190: ok 33079
190: ok 33080
190: ok 33081
190: ok 33082
190: ok 33083
190: ok 33084
190: ok 33085
190: ok 33086
190: ok 33087
190: ok 33088
190: ok 33089
190: ok 33090
190: ok 33091
190: ok 33092
190: ok 33093
190: ok 33094
190: ok 33095
190: ok 33096
190: ok 33097
190: ok 33098
190: ok 33099
190: ok 33100
190: ok 33101
190: ok 33102
190: ok 33103
190: ok 33104
190: ok 33105
190: ok 33106
190: ok 33107
190: ok 33108
190: ok 33109
190: ok 33110
190: ok 33111
190: ok 33112
190: ok 33113
190: ok 33114
190: ok 33115
190: ok 33116
190: ok 33117
190: ok 33118
190: ok 33119
190: ok 33120
190: ok 33121
190: ok 33122
190: ok 33123
190: ok 33124
190: ok 33125
190: ok 33126
190: ok 33127
190: ok 33128
190: ok 33129
190: ok 33130
190: ok 33131
190: ok 33132
190: ok 33133
190: ok 33134
190: ok 33135
190: ok 33136
190: ok 33137
190: ok 33138
190: ok 33139
190: ok 33140
190: ok 33141
190: ok 33142
190: ok 33143
190: ok 33144
190: ok 33145
190: ok 33146
190: ok 33147
190: ok 33148
190: ok 33149
190: ok 33150
190: ok 33151
190: ok 33152
190: ok 33153
190: ok 33154
190: ok 33155
190: ok 33156
190: ok 33157
190: ok 33158
190: ok 33159
190: ok 33160
190: ok 33161
190: ok 33162
190: ok 33163
190: ok 33164
190: ok 33165
190: ok 33166
190: ok 33167
190: ok 33168
190: ok 33169
190: ok 33170
190: ok 33171
190: ok 33172
190: ok 33173
190: ok 33174
190: ok 33175
190: ok 33176
190: ok 33177
190: ok 33178
190: ok 33179
190: ok 33180
190: ok 33181
190: ok 33182
190: ok 33183
190: ok 33184
190: ok 33185
190: ok 33186
190: ok 33187
190: ok 33188
190: ok 33189
190: ok 33190
190: ok 33191
190: ok 33192
190: ok 33193
190: ok 33194
190: ok 33195
190: ok 33196
190: ok 33197
190: ok 33198
190: ok 33199
190: ok 33200
190: ok 33201
190: ok 33202
190: ok 33203
190: ok 33204
190: ok 33205
190: ok 33206
190: ok 33207
190: ok 33208
190: ok 33209
190: ok 33210
190: ok 33211
190: ok 33212
190: ok 33213
190: ok 33214
190: ok 33215
190: ok 33216
190: ok 33217
190: ok 33218
190: ok 33219
190: ok 33220
190: ok 33221
190: ok 33222
190: ok 33223
190: ok 33224
190: ok 33225
190: ok 33226
190: ok 33227
190: ok 33228
190: ok 33229
190: ok 33230
190: ok 33231
190: ok 33232
190: ok 33233
190: ok 33234
190: ok 33235
190: ok 33236
190: ok 33237
190: ok 33238
190: ok 33239
190: ok 33240
190: ok 33241
190: ok 33242
190: ok 33243
190: ok 33244
190: ok 33245
190: ok 33246
190: ok 33247
190: ok 33248
190: ok 33249
190: ok 33250
190: ok 33251
190: ok 33252
190: ok 33253
190: ok 33254
190: ok 33255
190: ok 33256
190: ok 33257
190: ok 33258
190: ok 33259
190: ok 33260
190: ok 33261
190: ok 33262
190: ok 33263
190: ok 33264
190: ok 33265
190: ok 33266
190: ok 33267
190: ok 33268
190: ok 33269
190: ok 33270
190: ok 33271
190: ok 33272
190: ok 33273
190: ok 33274
190: ok 33275
190: ok 33276
190: ok 33277
190: ok 33278
190: ok 33279
190: ok 33280
190: ok 33281
190: ok 33282
190: ok 33283
190: ok 33284
190: ok 33285
190: ok 33286
190: ok 33287
190: ok 33288
190: ok 33289
190: ok 33290
190: ok 33291
190: ok 33292
190: ok 33293
190: ok 33294
190: ok 33295
190: ok 33296
190: ok 33297
190: ok 33298
190: ok 33299
190: ok 33300
190: ok 33301
190: ok 33302
190: ok 33303
190: ok 33304
190: ok 33305
190: ok 33306
190: ok 33307
190: ok 33308
190: ok 33309
190: ok 33310
190: ok 33311
190: ok 33312
190: ok 33313
190: ok 33314
190: ok 33315
190: ok 33316
190: ok 33317
190: ok 33318
190: ok 33319
190: ok 33320
190: ok 33321
190: ok 33322
190: ok 33323
190: ok 33324
190: ok 33325
190: ok 33326
190: ok 33327
190: ok 33328
190: ok 33329
190: ok 33330
190: ok 33331
190: ok 33332
190: ok 33333
190: ok 33334
190: ok 33335
190: ok 33336
190: ok 33337
190: ok 33338
190: ok 33339
190: ok 33340
190: ok 33341
190: ok 33342
190: ok 33343
190: ok 33344
190: ok 33345
190: ok 33346
190: ok 33347
190: ok 33348
190: ok 33349
190: ok 33350
190: ok 33351
190: ok 33352
190: ok 33353
190: ok 33354
190: ok 33355
190: ok 33356
190: ok 33357
190: ok 33358
190: ok 33359
190: ok 33360
190: ok 33361
190: ok 33362
190: ok 33363
190: ok 33364
190: ok 33365
190: ok 33366
190: ok 33367
190: ok 33368
190: ok 33369
190: ok 33370
190: ok 33371
190: ok 33372
190: ok 33373
190: ok 33374
190: ok 33375
190: ok 33376
190: ok 33377
190: ok 33378
190: ok 33379
190: ok 33380
190: ok 33381
190: ok 33382
190: ok 33383
190: ok 33384
190: ok 33385
190: ok 33386
190: ok 33387
190: ok 33388
190: ok 33389
190: ok 33390
190: ok 33391
190: ok 33392
190: ok 33393
190: ok 33394
190: ok 33395
190: ok 33396
190: ok 33397
190: ok 33398
190: ok 33399
190: ok 33400
190: ok 33401
190: ok 33402
190: ok 33403
190: ok 33404
190: ok 33405
190: ok 33406
190: ok 33407
190: ok 33408
190: ok 33409
190: ok 33410
190: ok 33411
190: ok 33412
190: ok 33413
190: ok 33414
190: ok 33415
190: ok 33416
190: ok 33417
190: ok 33418
190: ok 33419
190: ok 33420
190: ok 33421
190: ok 33422
190: ok 33423
190: ok 33424
190: ok 33425
190: ok 33426
190: ok 33427
190: ok 33428
190: ok 33429
190: ok 33430
190: ok 33431
190: ok 33432
190: ok 33433
190: ok 33434
190: ok 33435
190: ok 33436
190: ok 33437
190: ok 33438
190: ok 33439
190: ok 33440
190: ok 33441
190: ok 33442
190: ok 33443
190: ok 33444
190: ok 33445
190: ok 33446
190: ok 33447
190: ok 33448
190: ok 33449
190: ok 33450
190: ok 33451
190: ok 33452
190: ok 33453
190: ok 33454
190: ok 33455
190: ok 33456
190: ok 33457
190: ok 33458
190: ok 33459
190: ok 33460
190: ok 33461
190: ok 33462
190: ok 33463
190: ok 33464
190: ok 33465
190: ok 33466
190: ok 33467
190: ok 33468
190: ok 33469
190: ok 33470
190: ok 33471
190: ok 33472
190: ok 33473
190: ok 33474
190: ok 33475
190: ok 33476
190: ok 33477
190: ok 33478
190: ok 33479
190: ok 33480
190: ok 33481
190: ok 33482
190: ok 33483
190: ok 33484
190: ok 33485
190: ok 33486
190: ok 33487
190: ok 33488
190: ok 33489
190: ok 33490
190: ok 33491
190: ok 33492
190: ok 33493
190: ok 33494
190: ok 33495
190: ok 33496
190: ok 33497
190: ok 33498
190: ok 33499
190: ok 33500
190: ok 33501
190: ok 33502
190: ok 33503
190: ok 33504
190: ok 33505
190: ok 33506
190: ok 33507
190: ok 33508
190: ok 33509
190: ok 33510
190: ok 33511
190: ok 33512
190: ok 33513
190: ok 33514
190: ok 33515
190: ok 33516
190: ok 33517
190: ok 33518
190: ok 33519
190: ok 33520
190: ok 33521
190: ok 33522
190: ok 33523
190: ok 33524
190: ok 33525
190: ok 33526
190: ok 33527
190: ok 33528
190: ok 33529
190: ok 33530
190: ok 33531
190: ok 33532
190: ok 33533
190: ok 33534
190: ok 33535
190: ok 33536
190: ok 33537
190: ok 33538
190: ok 33539
190: ok 33540
190: ok 33541
190: ok 33542
190: ok 33543
190: ok 33544
190: ok 33545
190: ok 33546
190: ok 33547
190: ok 33548
190: ok 33549
190: ok 33550
190: ok 33551
190: ok 33552
190: ok 33553
190: ok 33554
190: ok 33555
190: ok 33556
190: ok 33557
190: ok 33558
190: ok 33559
190: ok 33560
190: ok 33561
190: ok 33562
190: ok 33563
190: ok 33564
190: ok 33565
190: ok 33566
190: ok 33567
190: ok 33568
190: ok 33569
190: ok 33570
190: ok 33571
190: ok 33572
190: ok 33573
190: ok 33574
190: ok 33575
190: ok 33576
190: ok 33577
190: ok 33578
190: ok 33579
190: ok 33580
190: ok 33581
190: ok 33582
190: ok 33583
190: ok 33584
190: ok 33585
190: ok 33586
190: ok 33587
190: ok 33588
190: ok 33589
190: ok 33590
190: ok 33591
190: ok 33592
190: ok 33593
190: ok 33594
190: ok 33595
190: ok 33596
190: ok 33597
190: ok 33598
190: ok 33599
190: ok 33600
190: ok 33601
190: ok 33602
190: ok 33603
190: ok 33604
190: ok 33605
190: ok 33606
190: ok 33607
190: ok 33608
190: ok 33609
190: ok 33610
190: ok 33611
190: ok 33612
190: ok 33613
190: ok 33614
190: ok 33615
190: ok 33616
190: ok 33617
190: ok 33618
190: ok 33619
190: ok 33620
190: ok 33621
190: ok 33622
190: ok 33623
190: ok 33624
190: ok 33625
190: ok 33626
190: ok 33627
190: ok 33628
190: ok 33629
190: ok 33630
190: ok 33631
190: ok 33632
190: ok 33633
190: ok 33634
190: ok 33635
190: ok 33636
190: ok 33637
190: ok 33638
190: ok 33639
190: ok 33640
190: ok 33641
190: ok 33642
190: ok 33643
190: ok 33644
190: ok 33645
190: ok 33646
190: ok 33647
190: ok 33648
190: ok 33649
190: ok 33650
190: ok 33651
190: ok 33652
190: ok 33653
190: ok 33654
190: ok 33655
190: ok 33656
190: ok 33657
190: ok 33658
190: ok 33659
190: ok 33660
190: ok 33661
190: ok 33662
190: ok 33663
190: ok 33664
190: ok 33665
190: ok 33666
190: ok 33667
190: ok 33668
190: ok 33669
190: ok 33670
190: ok 33671
190: ok 33672
190: ok 33673
190: ok 33674
190: ok 33675
190: ok 33676
190: ok 33677
190: ok 33678
190: ok 33679
190: ok 33680
190: ok 33681
190: ok 33682
190: ok 33683
190: ok 33684
190: ok 33685
190: ok 33686
190: ok 33687
190: ok 33688
190: ok 33689
190: ok 33690
190: ok 33691
190: ok 33692
190: ok 33693
190: ok 33694
190: ok 33695
190: ok 33696
190: ok 33697
190: ok 33698
190: ok 33699
190: ok 33700
190: ok 33701
190: ok 33702
190: ok 33703
190: ok 33704
190: ok 33705
190: ok 33706
190: ok 33707
190: ok 33708
190: ok 33709
190: ok 33710
190: ok 33711
190: ok 33712
190: ok 33713
190: ok 33714
190: ok 33715
190: ok 33716
190: ok 33717
190: ok 33718
190: ok 33719
190: ok 33720
190: ok 33721
190: ok 33722
190: ok 33723
190: ok 33724
190: ok 33725
190: ok 33726
190: ok 33727
190: ok 33728
190: ok 33729
190: ok 33730
190: ok 33731
190: ok 33732
190: ok 33733
190: ok 33734
190: ok 33735
190: ok 33736
190: ok 33737
190: ok 33738
190: ok 33739
190: ok 33740
190: ok 33741
190: ok 33742
190: ok 33743
190: ok 33744
190: ok 33745
190: ok 33746
190: ok 33747
190: ok 33748
190: ok 33749
190: ok 33750
190: ok 33751
190: ok 33752
190: ok 33753
190: ok 33754
190: ok 33755
190: ok 33756
190: ok 33757
190: ok 33758
190: ok 33759
190: ok 33760
190: ok 33761
190: ok 33762
190: ok 33763
190: ok 33764
190: ok 33765
190: ok 33766
190: ok 33767
190: ok 33768
190: ok 33769
190: ok 33770
190: ok 33771
190: ok 33772
190: ok 33773
190: ok 33774
190: ok 33775
190: ok 33776
190: ok 33777
190: ok 33778
190: ok 33779
190: ok 33780
190: ok 33781
190: ok 33782
190: ok 33783
190: ok 33784
190: ok 33785
190: ok 33786
190: ok 33787
190: ok 33788
190: ok 33789
190: ok 33790
190: ok 33791
190: ok 33792
190: ok 33793
190: ok 33794
190: ok 33795
190: ok 33796
190: ok 33797
190: ok 33798
190: ok 33799
190: ok 33800
190: ok 33801
190: ok 33802
190: ok 33803
190: ok 33804
190: ok 33805
190: ok 33806
190: ok 33807
190: ok 33808
190: ok 33809
190: ok 33810
190: ok 33811
190: ok 33812
190: ok 33813
190: ok 33814
190: ok 33815
190: ok 33816
190: ok 33817
190: ok 33818
190: ok 33819
190: ok 33820
190: ok 33821
190: ok 33822
190: ok 33823
190: ok 33824
190: ok 33825
190: ok 33826
190: ok 33827
190: ok 33828
190: ok 33829
190: ok 33830
190: ok 33831
190: ok 33832
190: ok 33833
190: ok 33834
190: ok 33835
190: ok 33836
190: ok 33837
190: ok 33838
190: ok 33839
190: ok 33840
190: ok 33841
190: ok 33842
190: ok 33843
190: ok 33844
190: ok 33845
190: ok 33846
190: ok 33847
190: ok 33848
190: ok 33849
190: ok 33850
190: ok 33851
190: ok 33852
190: ok 33853
190: ok 33854
190: ok 33855
190: ok 33856
190: ok 33857
190: ok 33858
190: ok 33859
190: ok 33860
190: ok 33861
190: ok 33862
190: ok 33863
190: ok 33864
190: ok 33865
190: ok 33866
190: ok 33867
190: ok 33868
190: ok 33869
190: ok 33870
190: ok 33871
190: ok 33872
190: ok 33873
190: ok 33874
190: ok 33875
190: ok 33876
190: ok 33877
190: ok 33878
190: ok 33879
190: ok 33880
190: ok 33881
190: ok 33882
190: ok 33883
190: ok 33884
190: ok 33885
190: ok 33886
190: ok 33887
190: ok 33888
190: ok 33889
190: ok 33890
190: ok 33891
190: ok 33892
190: ok 33893
190: ok 33894
190: ok 33895
190: ok 33896
190: ok 33897
190: ok 33898
190: ok 33899
190: ok 33900
190: ok 33901
190: ok 33902
190: ok 33903
190: ok 33904
190: ok 33905
190: ok 33906
190: ok 33907
190: ok 33908
190: ok 33909
190: ok 33910
190: ok 33911
190: ok 33912
190: ok 33913
190: ok 33914
190: ok 33915
190: ok 33916
190: ok 33917
190: ok 33918
190: ok 33919
190: ok 33920
190: ok 33921
190: ok 33922
190: ok 33923
190: ok 33924
190: ok 33925
190: ok 33926
190: ok 33927
190: ok 33928
190: ok 33929
190: ok 33930
190: ok 33931
190: ok 33932
190: ok 33933
190: ok 33934
190: ok 33935
190: ok 33936
190: ok 33937
190: ok 33938
190: ok 33939
190: ok 33940
190: ok 33941
190: ok 33942
190: ok 33943
190: ok 33944
190: ok 33945
190: ok 33946
190: ok 33947
190: ok 33948
190: ok 33949
190: ok 33950
190: ok 33951
190: ok 33952
190: ok 33953
190: ok 33954
190: ok 33955
190: ok 33956
190: ok 33957
190: ok 33958
190: ok 33959
190: ok 33960
190: ok 33961
190: ok 33962
190: ok 33963
190: ok 33964
190: ok 33965
190: ok 33966
190: ok 33967
190: ok 33968
190: ok 33969
190: ok 33970
190: ok 33971
190: ok 33972
190: ok 33973
190: ok 33974
190: ok 33975
190: ok 33976
190: ok 33977
190: ok 33978
190: ok 33979
190: ok 33980
190: ok 33981
190: ok 33982
190: ok 33983
190: ok 33984
190: ok 33985
190: ok 33986
190: ok 33987
190: ok 33988
190: ok 33989
190: ok 33990
190: ok 33991
190: ok 33992
190: ok 33993
190: ok 33994
190: ok 33995
190: ok 33996
190: ok 33997
190: ok 33998
190: ok 33999
190: ok 34000
190: ok 34001
190: ok 34002
190: ok 34003
190: ok 34004
190: ok 34005
190: ok 34006
190: ok 34007
190: ok 34008
190: ok 34009
190: ok 34010
190: ok 34011
190: ok 34012
190: ok 34013
190: ok 34014
190: ok 34015
190: ok 34016
190: ok 34017
190: ok 34018
190: ok 34019
190: ok 34020
190: ok 34021
190: ok 34022
190: ok 34023
190: ok 34024
190: ok 34025
190: ok 34026
190: ok 34027
190: ok 34028
190: ok 34029
190: ok 34030
190: ok 34031
190: ok 34032
190: ok 34033
190: ok 34034
190: ok 34035
190: ok 34036
190: ok 34037
190: ok 34038
190: ok 34039
190: ok 34040
190: ok 34041
190: ok 34042
190: ok 34043
190: ok 34044
190: ok 34045
190: ok 34046
190: ok 34047
190: ok 34048
190: ok 34049
190: ok 34050
190: ok 34051
190: ok 34052
190: ok 34053
190: ok 34054
190: ok 34055
190: ok 34056
190: ok 34057
190: ok 34058
190: ok 34059
190: ok 34060
190: ok 34061
190: ok 34062
190: ok 34063
190: ok 34064
190: ok 34065
190: ok 34066
190: ok 34067
190: ok 34068
190: ok 34069
190: ok 34070
190: ok 34071
190: ok 34072
190: ok 34073
190: ok 34074
190: ok 34075
190: ok 34076
190: ok 34077
190: ok 34078
190: ok 34079
190: ok 34080
190: ok 34081
190: ok 34082
190: ok 34083
190: ok 34084
190: ok 34085
190: ok 34086
190: ok 34087
190: ok 34088
190: ok 34089
190: ok 34090
190: ok 34091
190: ok 34092
190: ok 34093
190: ok 34094
190: ok 34095
190: ok 34096
190: ok 34097
190: ok 34098
190: ok 34099
190: ok 34100
190: ok 34101
190: ok 34102
190: ok 34103
190: ok 34104
190: ok 34105
190: ok 34106
190: ok 34107
190: ok 34108
190: ok 34109
190: ok 34110
190: ok 34111
190: ok 34112
190: ok 34113
190: ok 34114
190: ok 34115
190: ok 34116
190: ok 34117
190: ok 34118
190: ok 34119
190: ok 34120
190: ok 34121
190: ok 34122
190: ok 34123
190: ok 34124
190: ok 34125
190: ok 34126
190: ok 34127
190: ok 34128
190: ok 34129
190: ok 34130
190: ok 34131
190: ok 34132
190: ok 34133
190: ok 34134
190: ok 34135
190: ok 34136
190: ok 34137
190: ok 34138
190: ok 34139
190: ok 34140
190: ok 34141
190: ok 34142
190: ok 34143
190: ok 34144
190: ok 34145
190: ok 34146
190: ok 34147
190: ok 34148
190: ok 34149
190: ok 34150
190: ok 34151
190: ok 34152
190: ok 34153
190: ok 34154
190: ok 34155
190: ok 34156
190: ok 34157
190: ok 34158
190: ok 34159
190: ok 34160
190: ok 34161
190: ok 34162
190: ok 34163
190: ok 34164
190: ok 34165
190: ok 34166
190: ok 34167
190: ok 34168
190: ok 34169
190: ok 34170
190: ok 34171
190: ok 34172
190: ok 34173
190: ok 34174
190: ok 34175
190: ok 34176
190: ok 34177
190: ok 34178
190: ok 34179
190: ok 34180
190: ok 34181
190: ok 34182
190: ok 34183
190: ok 34184
190: ok 34185
190: ok 34186
190: ok 34187
190: ok 34188
190: ok 34189
190: ok 34190
190: ok 34191
190: ok 34192
190: ok 34193
190: ok 34194
190: ok 34195
190: ok 34196
190: ok 34197
190: ok 34198
190: ok 34199
190: ok 34200
190: ok 34201
190: ok 34202
190: ok 34203
190: ok 34204
190: ok 34205
190: ok 34206
190: ok 34207
190: ok 34208
190: ok 34209
190: ok 34210
190: ok 34211
190: ok 34212
190: ok 34213
190: ok 34214
190: ok 34215
190: ok 34216
190: ok 34217
190: ok 34218
190: ok 34219
190: ok 34220
190: ok 34221
190: ok 34222
190: ok 34223
190: ok 34224
190: ok 34225
190: ok 34226
190: ok 34227
190: ok 34228
190: ok 34229
190: ok 34230
190: ok 34231
190: ok 34232
190: ok 34233
190: ok 34234
190: ok 34235
190: ok 34236
190: ok 34237
190: ok 34238
190: ok 34239
190: ok 34240
190: ok 34241
190: ok 34242
190: ok 34243
190: ok 34244
190: ok 34245
190: ok 34246
190: ok 34247
190: ok 34248
190: ok 34249
190: ok 34250
190: ok 34251
190: ok 34252
190: ok 34253
190: ok 34254
190: ok 34255
190: ok 34256
190: ok 34257
190: ok 34258
190: ok 34259
190: ok 34260
190: ok 34261
190: ok 34262
190: ok 34263
190: ok 34264
190: ok 34265
190: ok 34266
190: ok 34267
190: ok 34268
190: ok 34269
190: ok 34270
190: ok 34271
190: ok 34272
190: ok 34273
190: ok 34274
190: ok 34275
190: ok 34276
190: ok 34277
190: ok 34278
190: ok 34279
190: ok 34280
190: ok 34281
190: ok 34282
190: ok 34283
190: ok 34284
190: ok 34285
190: ok 34286
190: ok 34287
190: ok 34288
190: ok 34289
190: ok 34290
190: ok 34291
190: ok 34292
190: ok 34293
190: ok 34294
190: ok 34295
190: ok 34296
190: ok 34297
190: ok 34298
190: ok 34299
190: ok 34300
190: ok 34301
190: ok 34302
190: ok 34303
190: ok 34304
190: ok 34305
190: ok 34306
190: ok 34307
190: ok 34308
190: ok 34309
190: ok 34310
190: ok 34311
190: ok 34312
190: ok 34313
190: ok 34314
190: ok 34315
190: ok 34316
190: ok 34317
190: ok 34318
190: ok 34319
190: ok 34320
190: ok 34321
190: ok 34322
190: ok 34323
190: ok 34324
190: ok 34325
190: ok 34326
190: ok 34327
190: ok 34328
190: ok 34329
190: ok 34330
190: ok 34331
190: ok 34332
190: ok 34333
190: ok 34334
190: ok 34335
190: ok 34336
190: ok 34337
190: ok 34338
190: ok 34339
190: ok 34340
190: ok 34341
190: ok 34342
190: ok 34343
190: ok 34344
190: ok 34345
190: ok 34346
190: ok 34347
190: ok 34348
190: ok 34349
190: ok 34350
190: ok 34351
190: ok 34352
190: ok 34353
190: ok 34354
190: ok 34355
190: ok 34356
190: ok 34357
190: ok 34358
190: ok 34359
190: ok 34360
190: ok 34361
190: ok 34362
190: ok 34363
190: ok 34364
190: ok 34365
190: ok 34366
190: ok 34367
190: ok 34368
190: ok 34369
190: ok 34370
190: ok 34371
190: ok 34372
190: ok 34373
190: ok 34374
190: ok 34375
190: ok 34376
190: ok 34377
190: ok 34378
190: ok 34379
190: ok 34380
190: ok 34381
190: ok 34382
190: ok 34383
190: ok 34384
190: ok 34385
190: ok 34386
190: ok 34387
190: ok 34388
190: ok 34389
190: ok 34390
190: ok 34391
190: ok 34392
190: ok 34393
190: ok 34394
190: ok 34395
190: ok 34396
190: ok 34397
190: ok 34398
190: ok 34399
190: ok 34400
190: ok 34401
190: ok 34402
190: ok 34403
190: ok 34404
190: ok 34405
190: ok 34406
190: ok 34407
190: ok 34408
190: ok 34409
190: ok 34410
190: ok 34411
190: ok 34412
190: ok 34413
190: ok 34414
190: ok 34415
190: ok 34416
190: ok 34417
190: ok 34418
190: ok 34419
190: ok 34420
190: ok 34421
190: ok 34422
190: ok 34423
190: ok 34424
190: ok 34425
190: ok 34426
190: ok 34427
190: ok 34428
190: ok 34429
190: ok 34430
190: ok 34431
190: ok 34432
190: ok 34433
190: ok 34434
190: ok 34435
190: ok 34436
190: ok 34437
190: ok 34438
190: ok 34439
190: ok 34440
190: ok 34441
190: ok 34442
190: ok 34443
190: ok 34444
190: ok 34445
190: ok 34446
190: ok 34447
190: ok 34448
190: ok 34449
190: ok 34450
190: ok 34451
190: ok 34452
190: ok 34453
190: ok 34454
190: ok 34455
190: ok 34456
190: ok 34457
190: ok 34458
190: ok 34459
190: ok 34460
190: ok 34461
190: ok 34462
190: ok 34463
190: ok 34464
190: ok 34465
190: ok 34466
190: ok 34467
190: ok 34468
190: ok 34469
190: ok 34470
190: ok 34471
190: ok 34472
190: ok 34473
190: ok 34474
190: ok 34475
190: ok 34476
190: ok 34477
190: ok 34478
190: ok 34479
190: ok 34480
190: ok 34481
190: ok 34482
190: ok 34483
190: ok 34484
190: ok 34485
190: ok 34486
190: ok 34487
190: ok 34488
190: ok 34489
190: ok 34490
190: ok 34491
190: ok 34492
190: ok 34493
190: ok 34494
190: ok 34495
190: ok 34496
190: ok 34497
190: ok 34498
190: ok 34499
190: ok 34500
190: ok 34501
190: ok 34502
190: ok 34503
190: ok 34504
190: ok 34505
190: ok 34506
190: ok 34507
190: ok 34508
190: ok 34509
190: ok 34510
190: ok 34511
190: ok 34512
190: ok 34513
190: ok 34514
190: ok 34515
190: ok 34516
190: ok 34517
190: ok 34518
190: ok 34519
190: ok 34520
190: ok 34521
190: ok 34522
190: ok 34523
190: ok 34524
190: ok 34525
190: ok 34526
190: ok 34527
190: ok 34528
190: ok 34529
190: ok 34530
190: ok 34531
190: ok 34532
190: ok 34533
190: ok 34534
190: ok 34535
190: ok 34536
190: ok 34537
190: ok 34538
190: ok 34539
190: ok 34540
190: ok 34541
190: ok 34542
190: ok 34543
190: ok 34544
190: ok 34545
190: ok 34546
190: ok 34547
190: ok 34548
190: ok 34549
190: ok 34550
190: ok 34551
190: ok 34552
190: ok 34553
190: ok 34554
190: ok 34555
190: ok 34556
190: ok 34557
190: ok 34558
190: ok 34559
190: ok 34560
190: ok 34561
190: ok 34562
190: ok 34563
190: ok 34564
190: ok 34565
190: ok 34566
190: ok 34567
190: ok 34568
190: ok 34569
190: ok 34570
190: ok 34571
190: ok 34572
190: ok 34573
190: ok 34574
190: ok 34575
190: ok 34576
190: ok 34577
190: ok 34578
190: ok 34579
190: ok 34580
190: ok 34581
190: ok 34582
190: ok 34583
190: ok 34584
190: ok 34585
190: ok 34586
190: ok 34587
190: ok 34588
190: ok 34589
190: ok 34590
190: ok 34591
190: ok 34592
190: ok 34593
190: ok 34594
190: ok 34595
190: ok 34596
190: ok 34597
190: ok 34598
190: ok 34599
190: ok 34600
190: ok 34601
190: ok 34602
190: ok 34603
190: ok 34604
190: ok 34605
190: ok 34606
190: ok 34607
190: ok 34608
190: ok 34609
190: ok 34610
190: ok 34611
190: ok 34612
190: ok 34613
190: ok 34614
190: ok 34615
190: ok 34616
190: ok 34617
190: ok 34618
190: ok 34619
190: ok 34620
190: ok 34621
190: ok 34622
190: ok 34623
190: ok 34624
190: ok 34625
190: ok 34626
190: ok 34627
190: ok 34628
190: ok 34629
190: ok 34630
190: ok 34631
190: ok 34632
190: ok 34633
190: ok 34634
190: ok 34635
190: ok 34636
190: ok 34637
190: ok 34638
190: ok 34639
190: ok 34640
190: ok 34641
190: ok 34642
190: ok 34643
190: ok 34644
190: ok 34645
190: ok 34646
190: ok 34647
190: ok 34648
190: ok 34649
190: ok 34650
190: ok 34651
190: ok 34652
190: ok 34653
190: ok 34654
190: ok 34655
190: ok 34656
190: ok 34657
190: ok 34658
190: ok 34659
190: ok 34660
190: ok 34661
190: ok 34662
190: ok 34663
190: ok 34664
190: ok 34665
190: ok 34666
190: ok 34667
190: ok 34668
190: ok 34669
190: ok 34670
190: ok 34671
190: ok 34672
190: ok 34673
190: ok 34674
190: ok 34675
190: ok 34676
190: ok 34677
190: ok 34678
190: ok 34679
190: ok 34680
190: ok 34681
190: ok 34682
190: ok 34683
190: ok 34684
190: ok 34685
190: ok 34686
190: ok 34687
190: ok 34688
190: ok 34689
190: ok 34690
190: ok 34691
190: ok 34692
190: ok 34693
190: ok 34694
190: ok 34695
190: ok 34696
190: ok 34697
190: ok 34698
190: ok 34699
190: ok 34700
190: ok 34701
190: ok 34702
190: ok 34703
190: ok 34704
190: ok 34705
190: ok 34706
190: ok 34707
190: ok 34708
190: ok 34709
190: ok 34710
190: ok 34711
190: ok 34712
190: ok 34713
190: ok 34714
190: ok 34715
190: ok 34716
190: ok 34717
190: ok 34718
190: ok 34719
190: ok 34720
190: ok 34721
190: ok 34722
190: ok 34723
190: ok 34724
190: ok 34725
190: ok 34726
190: ok 34727
190: ok 34728
190: ok 34729
190: ok 34730
190: ok 34731
190: ok 34732
190: ok 34733
190: ok 34734
190: ok 34735
190: ok 34736
190: ok 34737
190: ok 34738
190: ok 34739
190: ok 34740
190: ok 34741
190: ok 34742
190: ok 34743
190: ok 34744
190: ok 34745
190: ok 34746
190: ok 34747
190: ok 34748
190: ok 34749
190: ok 34750
190: ok 34751
190: ok 34752
190: ok 34753
190: ok 34754
190: ok 34755
190: ok 34756
190: ok 34757
190: ok 34758
190: ok 34759
190: ok 34760
190: ok 34761
190: ok 34762
190: ok 34763
190: ok 34764
190: ok 34765
190: ok 34766
190: ok 34767
190: ok 34768
190: ok 34769
190: ok 34770
190: ok 34771
190: ok 34772
190: ok 34773
190: ok 34774
190: ok 34775
190: ok 34776
190: ok 34777
190: ok 34778
190: ok 34779
190: ok 34780
190: ok 34781
190: ok 34782
190: ok 34783
190: ok 34784
190: ok 34785
190: ok 34786
190: ok 34787
190: ok 34788
190: ok 34789
190: ok 34790
190: ok 34791
190: ok 34792
190: ok 34793
190: ok 34794
190: ok 34795
190: ok 34796
190: ok 34797
190: ok 34798
190: ok 34799
190: ok 34800
190: ok 34801
190: ok 34802
190: ok 34803
190: ok 34804
190: ok 34805
190: ok 34806
190: ok 34807
190: ok 34808
190: ok 34809
190: ok 34810
190: ok 34811
190: ok 34812
190: ok 34813
190: ok 34814
190: ok 34815
190: ok 34816
190: ok 34817
190: ok 34818
190: ok 34819
190: ok 34820
190: ok 34821
190: ok 34822
190: ok 34823
190: ok 34824
190: ok 34825
190: ok 34826
190: ok 34827
190: ok 34828
190: ok 34829
190: ok 34830
190: ok 34831
190: ok 34832
190: ok 34833
190: ok 34834
190: ok 34835
190: ok 34836
190: ok 34837
190: ok 34838
190: ok 34839
190: ok 34840
190: ok 34841
190: ok 34842
190: ok 34843
190: ok 34844
190: ok 34845
190: ok 34846
190: ok 34847
190: ok 34848
190: ok 34849
190: ok 34850
190: ok 34851
190: ok 34852
190: ok 34853
190: ok 34854
190: ok 34855
190: ok 34856
190: ok 34857
190: ok 34858
190: ok 34859
190: ok 34860
190: ok 34861
190: ok 34862
190: ok 34863
190: ok 34864
190: ok 34865
190: ok 34866
190: ok 34867
190: ok 34868
190: ok 34869
190: ok 34870
190: ok 34871
190: ok 34872
190: ok 34873
190: ok 34874
190: ok 34875
190: ok 34876
190: ok 34877
190: ok 34878
190: ok 34879
190: ok 34880
190: ok 34881
190: ok 34882
190: ok 34883
190: ok 34884
190: ok 34885
190: ok 34886
190: ok 34887
190: ok 34888
190: ok 34889
190: ok 34890
190: ok 34891
190: ok 34892
190: ok 34893
190: ok 34894
190: ok 34895
190: ok 34896
190: ok 34897
190: ok 34898
190: ok 34899
190: ok 34900
190: ok 34901
190: ok 34902
190: ok 34903
190: ok 34904
190: ok 34905
190: ok 34906
190: ok 34907
190: ok 34908
190: ok 34909
190: ok 34910
190: ok 34911
190: ok 34912
190: ok 34913
190: ok 34914
190: ok 34915
190: ok 34916
190: ok 34917
190: ok 34918
190: ok 34919
190: ok 34920
190: ok 34921
190: ok 34922
190: ok 34923
190: ok 34924
190: ok 34925
190: ok 34926
190: ok 34927
190: ok 34928
190: ok 34929
190: ok 34930
190: ok 34931
190: ok 34932
190: ok 34933
190: ok 34934
190: ok 34935
190: ok 34936
190: ok 34937
190: ok 34938
190: ok 34939
190: ok 34940
190: ok 34941
190: ok 34942
190: ok 34943
190: ok 34944
190: ok 34945
190: ok 34946
190: ok 34947
190: ok 34948
190: ok 34949
190: ok 34950
190: ok 34951
190: ok 34952
190: ok 34953
190: ok 34954
190: ok 34955
190: ok 34956
190: ok 34957
190: ok 34958
190: ok 34959
190: ok 34960
190: ok 34961
190: ok 34962
190: ok 34963
190: ok 34964
190: ok 34965
190: ok 34966
190: ok 34967
190: ok 34968
190: ok 34969
190: ok 34970
190: ok 34971
190: ok 34972
190: ok 34973
190: ok 34974
190: ok 34975
190: ok 34976
190: ok 34977
190: ok 34978
190: ok 34979
190: ok 34980
190: ok 34981
190: ok 34982
190: ok 34983
190: ok 34984
190: ok 34985
190: ok 34986
190: ok 34987
190: ok 34988
190: ok 34989
190: ok 34990
190: ok 34991
190: ok 34992
190: ok 34993
190: ok 34994
190: ok 34995
190: ok 34996
190: ok 34997
190: ok 34998
190: ok 34999
190: ok 35000
190: ok 35001
190: ok 35002
190: ok 35003
190: ok 35004
190: ok 35005
190: ok 35006
190: ok 35007
190: ok 35008
190: ok 35009
190: ok 35010
190: ok 35011
190: ok 35012
190: ok 35013
190: ok 35014
190: ok 35015
190: ok 35016
190: ok 35017
190: ok 35018
190: ok 35019
190: ok 35020
190: ok 35021
190: ok 35022
190: ok 35023
190: ok 35024
190: ok 35025
190: ok 35026
190: ok 35027
190: ok 35028
190: ok 35029
190: ok 35030
190: ok 35031
190: ok 35032
190: ok 35033
190: ok 35034
190: ok 35035
190: ok 35036
190: ok 35037
190: ok 35038
190: ok 35039
190: ok 35040
190: ok 35041
190: ok 35042
190: ok 35043
190: ok 35044
190: ok 35045
190: ok 35046
190: ok 35047
190: ok 35048
190: ok 35049
190: ok 35050
190: ok 35051
190: ok 35052
190: ok 35053
190: ok 35054
190: ok 35055
190: ok 35056
190: ok 35057
190: ok 35058
190: ok 35059
190: ok 35060
190: ok 35061
190: ok 35062
190: ok 35063
190: ok 35064
190: ok 35065
190: ok 35066
190: ok 35067
190: ok 35068
190: ok 35069
190: ok 35070
190: ok 35071
190: ok 35072
190: ok 35073
190: ok 35074
190: ok 35075
190: ok 35076
190: ok 35077
190: ok 35078
190: ok 35079
190: ok 35080
190: ok 35081
190: ok 35082
190: ok 35083
190: ok 35084
190: ok 35085
190: ok 35086
190: ok 35087
190: ok 35088
190: ok 35089
190: ok 35090
190: ok 35091
190: ok 35092
190: ok 35093
190: ok 35094
190: ok 35095
190: ok 35096
190: ok 35097
190: ok 35098
190: ok 35099
190: ok 35100
190: ok 35101
190: ok 35102
190: ok 35103
190: ok 35104
190: ok 35105
190: ok 35106
190: ok 35107
190: ok 35108
190: ok 35109
190: ok 35110
190: ok 35111
190: ok 35112
190: ok 35113
190: ok 35114
190: ok 35115
190: ok 35116
190: ok 35117
190: ok 35118
190: ok 35119
190: ok 35120
190: ok 35121
190: ok 35122
190: ok 35123
190: ok 35124
190: ok 35125
190: ok 35126
190: ok 35127
190: ok 35128
190: ok 35129
190: ok 35130
190: ok 35131
190: ok 35132
190: ok 35133
190: ok 35134
190: ok 35135
190: ok 35136
190: ok 35137
190: ok 35138
190: ok 35139
190: ok 35140
190: ok 35141
190: ok 35142
190: ok 35143
190: ok 35144
190: ok 35145
190: ok 35146
190: ok 35147
190: ok 35148
190: ok 35149
190: ok 35150
190: ok 35151
190: ok 35152
190: ok 35153
190: ok 35154
190: ok 35155
190: ok 35156
190: ok 35157
190: ok 35158
190: ok 35159
190: ok 35160
190: ok 35161
190: ok 35162
190: ok 35163
190: ok 35164
190: ok 35165
190: ok 35166
190: ok 35167
190: ok 35168
190: ok 35169
190: ok 35170
190: ok 35171
190: ok 35172
190: ok 35173
190: ok 35174
190: ok 35175
190: ok 35176
190: ok 35177
190: ok 35178
190: ok 35179
190: ok 35180
190: ok 35181
190: ok 35182
190: ok 35183
190: ok 35184
190: ok 35185
190: ok 35186
190: ok 35187
190: ok 35188
190: ok 35189
190: ok 35190
190: ok 35191
190: ok 35192
190: ok 35193
190: ok 35194
190: ok 35195
190: ok 35196
190: ok 35197
190: ok 35198
190: ok 35199
190: ok 35200
190: ok 35201
190: ok 35202
190: ok 35203
190: ok 35204
190: ok 35205
190: ok 35206
190: ok 35207
190: ok 35208
190: ok 35209
190: ok 35210
190: ok 35211
190: ok 35212
190: ok 35213
190: ok 35214
190: ok 35215
190: ok 35216
190: ok 35217
190: ok 35218
190: ok 35219
190: ok 35220
190: ok 35221
190: ok 35222
190: ok 35223
190: ok 35224
190: ok 35225
190: ok 35226
190: ok 35227
190: ok 35228
190: ok 35229
190: ok 35230
190: ok 35231
190: ok 35232
190: ok 35233
190: ok 35234
190: ok 35235
190: ok 35236
190: ok 35237
190: ok 35238
190: ok 35239
190: ok 35240
190: ok 35241
190: ok 35242
190: ok 35243
190: ok 35244
190: ok 35245
190: ok 35246
190: ok 35247
190: ok 35248
190: ok 35249
190: ok 35250
190: ok 35251
190: ok 35252
190: ok 35253
190: ok 35254
190: ok 35255
190: ok 35256
190: ok 35257
190: ok 35258
190: ok 35259
190: ok 35260
190: ok 35261
190: ok 35262
190: ok 35263
190: ok 35264
190: ok 35265
190: ok 35266
190: ok 35267
190: ok 35268
190: ok 35269
190: ok 35270
190: ok 35271
190: ok 35272
190: ok 35273
190: ok 35274
190: ok 35275
190: ok 35276
190: ok 35277
190: ok 35278
190: ok 35279
190: ok 35280
190: ok 35281
190: ok 35282
190: ok 35283
190: ok 35284
190: ok 35285
190: ok 35286
190: ok 35287
190: ok 35288
190: ok 35289
190: ok 35290
190: ok 35291
190: ok 35292
190: ok 35293
190: ok 35294
190: ok 35295
190: ok 35296
190: ok 35297
190: ok 35298
190: ok 35299
190: ok 35300
190: ok 35301
190: ok 35302
190: ok 35303
190: ok 35304
190: ok 35305
190: ok 35306
190: ok 35307
190: ok 35308
190: ok 35309
190: ok 35310
190: ok 35311
190: ok 35312
190: ok 35313
190: ok 35314
190: ok 35315
190: ok 35316
190: ok 35317
190: ok 35318
190: ok 35319
190: ok 35320
190: ok 35321
190: ok 35322
190: ok 35323
190: ok 35324
190: ok 35325
190: ok 35326
190: ok 35327
190: ok 35328
190: ok 35329
190: ok 35330
190: ok 35331
190: ok 35332
190: ok 35333
190: ok 35334
190: ok 35335
190: ok 35336
190: ok 35337
190: ok 35338
190: ok 35339
190: ok 35340
190: ok 35341
190: ok 35342
190: ok 35343
190: ok 35344
190: ok 35345
190: ok 35346
190: ok 35347
190: ok 35348
190: ok 35349
190: ok 35350
190: ok 35351
190: ok 35352
190: ok 35353
190: ok 35354
190: ok 35355
190: ok 35356
190: ok 35357
190: ok 35358
190: ok 35359
190: ok 35360
190: ok 35361
190: ok 35362
190: ok 35363
190: ok 35364
190: ok 35365
190: ok 35366
190: ok 35367
190: ok 35368
190: ok 35369
190: ok 35370
190: ok 35371
190: ok 35372
190: ok 35373
190: ok 35374
190: ok 35375
190: ok 35376
190: ok 35377
190: ok 35378
190: ok 35379
190: ok 35380
190: ok 35381
190: ok 35382
190: ok 35383
190: ok 35384
190: ok 35385
190: ok 35386
190: ok 35387
190: ok 35388
190: ok 35389
190: ok 35390
190: ok 35391
190: ok 35392
190: ok 35393
190: ok 35394
190: ok 35395
190: ok 35396
190: ok 35397
190: ok 35398
190: ok 35399
190: ok 35400
190: ok 35401
190: ok 35402
190: ok 35403
190: ok 35404
190: ok 35405
190: ok 35406
190: ok 35407
190: ok 35408
190: ok 35409
190: ok 35410
190: ok 35411
190: ok 35412
190: ok 35413
190: ok 35414
190: ok 35415
190: ok 35416
190: ok 35417
190: ok 35418
190: ok 35419
190: ok 35420
190: ok 35421
190: ok 35422
190: ok 35423
190: ok 35424
190: ok 35425
190: ok 35426
190: ok 35427
190: ok 35428
190: ok 35429
190: ok 35430
190: ok 35431
190: ok 35432
190: ok 35433
190: ok 35434
190: ok 35435
190: ok 35436
190: ok 35437
190: ok 35438
190: ok 35439
190: ok 35440
190: ok 35441
190: ok 35442
190: ok 35443
190: ok 35444
190: ok 35445
190: ok 35446
190: ok 35447
190: ok 35448
190: ok 35449
190: ok 35450
190: ok 35451
190: ok 35452
190: ok 35453
190: ok 35454
190: ok 35455
190: ok 35456
190: ok 35457
190: ok 35458
190: ok 35459
190: ok 35460
190: ok 35461
190: ok 35462
190: ok 35463
190: ok 35464
190: ok 35465
190: ok 35466
190: ok 35467
190: ok 35468
190: ok 35469
190: ok 35470
190: ok 35471
190: ok 35472
190: ok 35473
190: ok 35474
190: ok 35475
190: ok 35476
190: ok 35477
190: ok 35478
190: ok 35479
190: ok 35480
190: ok 35481
190: ok 35482
190: ok 35483
190: ok 35484
190: ok 35485
190: ok 35486
190: ok 35487
190: ok 35488
190: ok 35489
190: ok 35490
190: ok 35491
190: ok 35492
190: ok 35493
190: ok 35494
190: ok 35495
190: ok 35496
190: ok 35497
190: ok 35498
190: ok 35499
190: ok 35500
190: ok 35501
190: ok 35502
190: ok 35503
190: ok 35504
190: ok 35505
190: ok 35506
190: ok 35507
190: ok 35508
190: ok 35509
190: ok 35510
190: ok 35511
190: ok 35512
190: ok 35513
190: ok 35514
190: ok 35515
190: ok 35516
190: ok 35517
190: ok 35518
190: ok 35519
190: ok 35520
190: ok 35521
190: ok 35522
190: ok 35523
190: ok 35524
190: ok 35525
190: ok 35526
190: ok 35527
190: ok 35528
190: ok 35529
190: ok 35530
190: ok 35531
190: ok 35532
190: ok 35533
190: ok 35534
190: ok 35535
190: ok 35536
190: ok 35537
190: ok 35538
190: ok 35539
190: ok 35540
190: ok 35541
190: ok 35542
190: ok 35543
190: ok 35544
190: ok 35545
190: ok 35546
190: ok 35547
190: ok 35548
190: ok 35549
190: ok 35550
190: ok 35551
190: ok 35552
190: ok 35553
190: ok 35554
190: ok 35555
190: ok 35556
190: ok 35557
190: ok 35558
190: ok 35559
190: ok 35560
190: ok 35561
190: ok 35562
190: ok 35563
190: ok 35564
190: ok 35565
190: ok 35566
190: ok 35567
190: ok 35568
190: ok 35569
190: ok 35570
190: ok 35571
190: ok 35572
190: ok 35573
190: ok 35574
190: ok 35575
190: ok 35576
190: ok 35577
190: ok 35578
190: ok 35579
190: ok 35580
190: ok 35581
190: ok 35582
190: ok 35583
190: ok 35584
190: ok 35585
190: ok 35586
190: ok 35587
190: ok 35588
190: ok 35589
190: ok 35590
190: ok 35591
190: ok 35592
190: ok 35593
190: ok 35594
190: ok 35595
190: ok 35596
190: ok 35597
190: ok 35598
190: ok 35599
190: ok 35600
190: ok 35601
190: ok 35602
190: ok 35603
190: ok 35604
190: ok 35605
190: ok 35606
190: ok 35607
190: ok 35608
190: ok 35609
190: ok 35610
190: ok 35611
190: ok 35612
190: ok 35613
190: ok 35614
190: ok 35615
190: ok 35616
190: ok 35617
190: ok 35618
190: ok 35619
190: ok 35620
190: ok 35621
190: ok 35622
190: ok 35623
190: ok 35624
190: ok 35625
190: ok 35626
190: ok 35627
190: ok 35628
190: ok 35629
190: ok 35630
190: ok 35631
190: ok 35632
190: ok 35633
190: ok 35634
190: ok 35635
190: ok 35636
190: ok 35637
190: ok 35638
190: ok 35639
190: ok 35640
190: ok 35641
190: ok 35642
190: ok 35643
190: ok 35644
190: ok 35645
190: ok 35646
190: ok 35647
190: ok 35648
190: ok 35649
190: ok 35650
190: ok 35651
190: ok 35652
190: ok 35653
190: ok 35654
190: ok 35655
190: ok 35656
190: ok 35657
190: ok 35658
190: ok 35659
190: ok 35660
190: ok 35661
190: ok 35662
190: ok 35663
190: ok 35664
190: ok 35665
190: ok 35666
190: ok 35667
190: ok 35668
190: ok 35669
190: ok 35670
190: ok 35671
190: ok 35672
190: ok 35673
190: ok 35674
190: ok 35675
190: ok 35676
190: ok 35677
190: ok 35678
190: ok 35679
190: ok 35680
190: ok 35681
190: ok 35682
190: ok 35683
190: ok 35684
190: ok 35685
190: ok 35686
190: ok 35687
190: ok 35688
190: ok 35689
190: ok 35690
190: ok 35691
190: ok 35692
190: ok 35693
190: ok 35694
190: ok 35695
190: ok 35696
190: ok 35697
190: ok 35698
190: ok 35699
190: ok 35700
190: ok 35701
190: ok 35702
190: ok 35703
190: ok 35704
190: ok 35705
190: ok 35706
190: ok 35707
190: ok 35708
190: ok 35709
190: ok 35710
190: ok 35711
190: ok 35712
190: ok 35713
190: ok 35714
190: ok 35715
190: ok 35716
190: ok 35717
190: ok 35718
190: ok 35719
190: ok 35720
190: ok 35721
190: ok 35722
190: ok 35723
190: ok 35724
190: ok 35725
190: ok 35726
190: ok 35727
190: ok 35728
190: ok 35729
190: ok 35730
190: ok 35731
190: ok 35732
190: ok 35733
190: ok 35734
190: ok 35735
190: ok 35736
190: ok 35737
190: ok 35738
190: ok 35739
190: ok 35740
190: ok 35741
190: ok 35742
190: ok 35743
190: ok 35744
190: ok 35745
190: ok 35746
190: ok 35747
190: ok 35748
190: ok 35749
190: ok 35750
190: ok 35751
190: ok 35752
190: ok 35753
190: ok 35754
190: ok 35755
190: ok 35756
190: ok 35757
190: ok 35758
190: ok 35759
190: ok 35760
190: ok 35761
190: ok 35762
190: ok 35763
190: ok 35764
190: ok 35765
190: ok 35766
190: ok 35767
190: ok 35768
190: ok 35769
190: ok 35770
190: ok 35771
190: ok 35772
190: ok 35773
190: ok 35774
190: ok 35775
190: ok 35776
190: ok 35777
190: ok 35778
190: ok 35779
190: ok 35780
190: ok 35781
190: ok 35782
190: ok 35783
190: ok 35784
190: ok 35785
190: ok 35786
190: ok 35787
190: ok 35788
190: ok 35789
190: ok 35790
190: ok 35791
190: ok 35792
190: ok 35793
190: ok 35794
190: ok 35795
190: ok 35796
190: ok 35797
190: ok 35798
190: ok 35799
190: ok 35800
190: ok 35801
190: ok 35802
190: ok 35803
190: ok 35804
190: ok 35805
190: ok 35806
190: ok 35807
190: ok 35808
190: ok 35809
190: ok 35810
190: ok 35811
190: ok 35812
190: ok 35813
190: ok 35814
190: ok 35815
190: ok 35816
190: ok 35817
190: ok 35818
190: ok 35819
190: ok 35820
190: ok 35821
190: ok 35822
190: ok 35823
190: ok 35824
190: ok 35825
190: ok 35826
190: ok 35827
190: ok 35828
190: ok 35829
190: ok 35830
190: ok 35831
190: ok 35832
190: ok 35833
190: ok 35834
190: ok 35835
190: ok 35836
190: ok 35837
190: ok 35838
190: ok 35839
190: ok 35840
190: ok 35841
190: ok 35842
190: ok 35843
190: ok 35844
190: ok 35845
190: ok 35846
190: ok 35847
190: ok 35848
190: ok 35849
190: ok 35850
190: ok 35851
190: ok 35852
190: ok 35853
190: ok 35854
190: ok 35855
190: ok 35856
190: ok 35857
190: ok 35858
190: ok 35859
190: ok 35860
190: ok 35861
190: ok 35862
190: ok 35863
190: ok 35864
190: ok 35865
190: ok 35866
190: ok 35867
190: ok 35868
190: ok 35869
190: ok 35870
190: ok 35871
190: ok 35872
190: ok 35873
190: ok 35874
190: ok 35875
190: ok 35876
190: ok 35877
190: ok 35878
190: ok 35879
190: ok 35880
190: ok 35881
190: ok 35882
190: ok 35883
190: ok 35884
190: ok 35885
190: ok 35886
190: ok 35887
190: ok 35888
190: ok 35889
190: ok 35890
190: ok 35891
190: ok 35892
190: ok 35893
190: ok 35894
190: ok 35895
190: ok 35896
190: ok 35897
190: ok 35898
190: ok 35899
190: ok 35900
190: ok 35901
190: ok 35902
190: ok 35903
190: ok 35904
190: ok 35905
190: ok 35906
190: ok 35907
190: ok 35908
190: ok 35909
190: ok 35910
190: ok 35911
190: ok 35912
190: ok 35913
190: ok 35914
190: ok 35915
190: ok 35916
190: ok 35917
190: ok 35918
190: ok 35919
190: ok 35920
190: ok 35921
190: ok 35922
190: ok 35923
190: ok 35924
190: ok 35925
190: ok 35926
190: ok 35927
190: ok 35928
190: ok 35929
190: ok 35930
190: ok 35931
190: ok 35932
190: ok 35933
190: ok 35934
190: ok 35935
190: ok 35936
190: ok 35937
190: ok 35938
190: ok 35939
190: ok 35940
190: ok 35941
190: ok 35942
190: ok 35943
190: ok 35944
190: ok 35945
190: ok 35946
190: ok 35947
190: ok 35948
190: ok 35949
190: ok 35950
190: ok 35951
190: ok 35952
190: ok 35953
190: ok 35954
190: ok 35955
190: ok 35956
190: ok 35957
190: ok 35958
190: ok 35959
190: ok 35960
190: ok 35961
190: ok 35962
190: ok 35963
190: ok 35964
190: ok 35965
190: ok 35966
190: ok 35967
190: ok 35968
190: ok 35969
190: ok 35970
190: ok 35971
190: ok 35972
190: ok 35973
190: ok 35974
190: ok 35975
190: ok 35976
190: ok 35977
190: ok 35978
190: ok 35979
190: ok 35980
190: ok 35981
190: ok 35982
190: ok 35983
190: ok 35984
190: ok 35985
190: ok 35986
190: ok 35987
190: ok 35988
190: ok 35989
190: ok 35990
190: ok 35991
190: ok 35992
190: ok 35993
190: ok 35994
190: ok 35995
190: ok 35996
190: ok 35997
190: ok 35998
190: ok 35999
190: ok 36000
190: ok 36001
190: ok 36002
190: ok 36003
190: ok 36004
190: ok 36005
190: ok 36006
190: ok 36007
190: ok 36008
190: ok 36009
190: ok 36010
190: ok 36011
190: ok 36012
190: ok 36013
190: ok 36014
190: ok 36015
190: ok 36016
190: ok 36017
190: ok 36018
190: ok 36019
190: ok 36020
190: ok 36021
190: ok 36022
190: ok 36023
190: ok 36024
190: ok 36025
190: ok 36026
190: ok 36027
190: ok 36028
190: ok 36029
190: ok 36030
190: ok 36031
190: ok 36032
190: ok 36033
190: ok 36034
190: ok 36035
190: ok 36036
190: ok 36037
190: ok 36038
190: ok 36039
190: ok 36040
190: ok 36041
190: ok 36042
190: ok 36043
190: ok 36044
190: ok 36045
190: ok 36046
190: ok 36047
190: ok 36048
190: ok 36049
190: ok 36050
190: ok 36051
190: ok 36052
190: ok 36053
190: ok 36054
190: ok 36055
190: ok 36056
190: ok 36057
190: ok 36058
190: ok 36059
190: ok 36060
190: ok 36061
190: ok 36062
190: ok 36063
190: ok 36064
190: ok 36065
190: ok 36066
190: ok 36067
190: ok 36068
190: ok 36069
190: ok 36070
190: ok 36071
190: ok 36072
190: ok 36073
190: ok 36074
190: ok 36075
190: ok 36076
190: ok 36077
190: ok 36078
190: ok 36079
190: ok 36080
190: ok 36081
190: ok 36082
190: ok 36083
190: ok 36084
190: ok 36085
190: ok 36086
190: ok 36087
190: ok 36088
190: ok 36089
190: ok 36090
190: ok 36091
190: ok 36092
190: ok 36093
190: ok 36094
190: ok 36095
190: ok 36096
190: ok 36097
190: ok 36098
190: ok 36099
190: ok 36100
190: ok 36101
190: ok 36102
190: ok 36103
190: ok 36104
190: ok 36105
190: ok 36106
190: ok 36107
190: ok 36108
190: ok 36109
190: ok 36110
190: ok 36111
190: ok 36112
190: ok 36113
190: ok 36114
190: ok 36115
190: ok 36116
190: ok 36117
190: ok 36118
190: ok 36119
190: ok 36120
190: ok 36121
190: ok 36122
190: ok 36123
190: ok 36124
190: ok 36125
190: ok 36126
190: ok 36127
190: ok 36128
190: ok 36129
190: ok 36130
190: ok 36131
190: ok 36132
190: ok 36133
190: ok 36134
190: ok 36135
190: ok 36136
190: ok 36137
190: ok 36138
190: ok 36139
190: ok 36140
190: ok 36141
190: ok 36142
190: ok 36143
190: ok 36144
190: ok 36145
190: ok 36146
190: ok 36147
190: ok 36148
190: ok 36149
190: ok 36150
190: ok 36151
190: ok 36152
190: ok 36153
190: ok 36154
190: ok 36155
190: ok 36156
190: ok 36157
190: ok 36158
190: ok 36159
190: ok 36160
190: ok 36161
190: ok 36162
190: ok 36163
190: ok 36164
190: ok 36165
190: ok 36166
190: ok 36167
190: ok 36168
190: ok 36169
190: ok 36170
190: ok 36171
190: ok 36172
190: ok 36173
190: ok 36174
190: ok 36175
190: ok 36176
190: ok 36177
190: ok 36178
190: ok 36179
190: ok 36180
190: ok 36181
190: ok 36182
190: ok 36183
190: ok 36184
190: ok 36185
190: ok 36186
190: ok 36187
190: ok 36188
190: ok 36189
190: ok 36190
190: ok 36191
190: ok 36192
190: ok 36193
190: ok 36194
190: ok 36195
190: ok 36196
190: ok 36197
190: ok 36198
190: ok 36199
190: ok 36200
190: ok 36201
190: ok 36202
190: ok 36203
190: ok 36204
190: ok 36205
190: ok 36206
190: ok 36207
190: ok 36208
190: ok 36209
190: ok 36210
190: ok 36211
190: ok 36212
190: ok 36213
190: ok 36214
190: ok 36215
190: ok 36216
190: ok 36217
190: ok 36218
190: ok 36219
190: ok 36220
190: ok 36221
190: ok 36222
190: ok 36223
190: ok 36224
190: ok 36225
190: ok 36226
190: ok 36227
190: ok 36228
190: ok 36229
190: ok 36230
190: ok 36231
190: ok 36232
190: ok 36233
190: ok 36234
190: ok 36235
190: ok 36236
190: ok 36237
190: ok 36238
190: ok 36239
190: ok 36240
190: ok 36241
190: ok 36242
190: ok 36243
190: ok 36244
190: ok 36245
190: ok 36246
190: ok 36247
190: ok 36248
190: ok 36249
190: ok 36250
190: ok 36251
190: ok 36252
190: ok 36253
190: ok 36254
190: ok 36255
190: ok 36256
190: ok 36257
190: ok 36258
190: ok 36259
190: ok 36260
190: ok 36261
190: ok 36262
190: ok 36263
190: ok 36264
190: ok 36265
190: ok 36266
190: ok 36267
190: ok 36268
190: ok 36269
190: ok 36270
190: ok 36271
190: ok 36272
190: ok 36273
190: ok 36274
190: ok 36275
190: ok 36276
190: ok 36277
190: ok 36278
190: ok 36279
190: ok 36280
190: ok 36281
190: ok 36282
190: ok 36283
190: ok 36284
190: ok 36285
190: ok 36286
190: ok 36287
190: ok 36288
190: ok 36289
190: ok 36290
190: ok 36291
190: ok 36292
190: ok 36293
190: ok 36294
190: ok 36295
190: ok 36296
190: ok 36297
190: ok 36298
190: ok 36299
190: ok 36300
190: ok 36301
190: ok 36302
190: ok 36303
190: ok 36304
190: ok 36305
190: ok 36306
190: ok 36307
190: ok 36308
190: ok 36309
190: ok 36310
190: ok 36311
190: ok 36312
190: ok 36313
190: ok 36314
190: ok 36315
190: ok 36316
190: ok 36317
190: ok 36318
190: ok 36319
190: ok 36320
190: ok 36321
190: ok 36322
190: ok 36323
190: ok 36324
190: ok 36325
190: ok 36326
190: ok 36327
190: ok 36328
190: ok 36329
190: ok 36330
190: ok 36331
190: ok 36332
190: ok 36333
190: ok 36334
190: ok 36335
190: ok 36336
190: ok 36337
190: ok 36338
190: ok 36339
190: ok 36340
190: ok 36341
190: ok 36342
190: ok 36343
190: ok 36344
190: ok 36345
190: ok 36346
190: ok 36347
190: ok 36348
190: ok 36349
190: ok 36350
190: ok 36351
190: ok 36352
190: ok 36353
190: ok 36354
190: ok 36355
190: ok 36356
190: ok 36357
190: ok 36358
190: ok 36359
190: ok 36360
190: ok 36361
190: ok 36362
190: ok 36363
190: ok 36364
190: ok 36365
190: ok 36366
190: ok 36367
190: ok 36368
190: ok 36369
190: ok 36370
190: ok 36371
190: ok 36372
190: ok 36373
190: ok 36374
190: ok 36375
190: ok 36376
190: ok 36377
190: ok 36378
190: ok 36379
190: ok 36380
190: ok 36381
190: ok 36382
190: ok 36383
190: ok 36384
190: ok 36385
190: ok 36386
190: ok 36387
190: ok 36388
190: ok 36389
190: ok 36390
190: ok 36391
190: ok 36392
190: ok 36393
190: ok 36394
190: ok 36395
190: ok 36396
190: ok 36397
190: ok 36398
190: ok 36399
190: ok 36400
190: ok 36401
190: ok 36402
190: ok 36403
190: ok 36404
190: ok 36405
190: ok 36406
190: ok 36407
190: ok 36408
190: ok 36409
190: ok 36410
190: ok 36411
190: ok 36412
190: ok 36413
190: ok 36414
190: ok 36415
190: ok 36416
190: ok 36417
190: ok 36418
190: ok 36419
190: ok 36420
190: ok 36421
190: ok 36422
190: ok 36423
190: ok 36424
190: ok 36425
190: ok 36426
190: ok 36427
190: ok 36428
190: ok 36429
190: ok 36430
190: ok 36431
190: ok 36432
190: ok 36433
190: ok 36434
190: ok 36435
190: ok 36436
190: ok 36437
190: ok 36438
190: ok 36439
190: ok 36440
190: ok 36441
190: ok 36442
190: ok 36443
190: ok 36444
190: ok 36445
190: ok 36446
190: ok 36447
190: ok 36448
190: ok 36449
190: ok 36450
190: ok 36451
190: ok 36452
190: ok 36453
190: ok 36454
190: ok 36455
190: ok 36456
190: ok 36457
190: ok 36458
190: ok 36459
190: ok 36460
190: ok 36461
190: ok 36462
190: ok 36463
190: ok 36464
190: ok 36465
190: ok 36466
190: ok 36467
190: ok 36468
190: ok 36469
190: ok 36470
190: ok 36471
190: ok 36472
190: ok 36473
190: ok 36474
190: ok 36475
190: ok 36476
190: ok 36477
190: ok 36478
190: ok 36479
190: ok 36480
190: ok 36481
190: ok 36482
190: ok 36483
190: ok 36484
190: ok 36485
190: ok 36486
190: ok 36487
190: ok 36488
190: ok 36489
190: ok 36490
190: ok 36491
190: ok 36492
190: ok 36493
190: ok 36494
190: ok 36495
190: ok 36496
190: ok 36497
190: ok 36498
190: ok 36499
190: ok 36500
190: ok 36501
190: ok 36502
190: ok 36503
190: ok 36504
190: ok 36505
190: ok 36506
190: ok 36507
190: ok 36508
190: ok 36509
190: ok 36510
190: ok 36511
190: ok 36512
190: ok 36513
190: ok 36514
190: ok 36515
190: ok 36516
190: ok 36517
190: ok 36518
190: ok 36519
190: ok 36520
190: ok 36521
190: ok 36522
190: ok 36523
190: ok 36524
190: ok 36525
190: ok 36526
190: ok 36527
190: ok 36528
190: ok 36529
190: ok 36530
190: ok 36531
190: ok 36532
190: ok 36533
190: ok 36534
190: ok 36535
190: ok 36536
190: ok 36537
190: ok 36538
190: ok 36539
190: ok 36540
190: ok 36541
190: ok 36542
190: ok 36543
190: ok 36544
190: ok 36545
190: ok 36546
190: ok 36547
190: ok 36548
190: ok 36549
190: ok 36550
190: ok 36551
190: ok 36552
190: ok 36553
190: ok 36554
190: ok 36555
190: ok 36556
190: ok 36557
190: ok 36558
190: ok 36559
190: ok 36560
190: ok 36561
190: ok 36562
190: ok 36563
190: ok 36564
190: ok 36565
190: ok 36566
190: ok 36567
190: ok 36568
190: ok 36569
190: ok 36570
190: ok 36571
190: ok 36572
190: ok 36573
190: ok 36574
190: ok 36575
190: ok 36576
190: ok 36577
190: ok 36578
190: ok 36579
190: ok 36580
190: ok 36581
190: ok 36582
190: ok 36583
190: ok 36584
190: ok 36585
190: ok 36586
190: ok 36587
190: ok 36588
190: ok 36589
190: ok 36590
190: ok 36591
190: ok 36592
190: ok 36593
190: ok 36594
190: ok 36595
190: ok 36596
190: ok 36597
190: ok 36598
190: ok 36599
190: ok 36600
190: ok 36601
190: ok 36602
190: ok 36603
190: ok 36604
190: ok 36605
190: ok 36606
190: ok 36607
190: ok 36608
190: ok 36609
190: ok 36610
190: ok 36611
190: ok 36612
190: ok 36613
190: ok 36614
190: ok 36615
190: ok 36616
190: ok 36617
190: ok 36618
190: ok 36619
190: ok 36620
190: ok 36621
190: ok 36622
190: ok 36623
190: ok 36624
190: ok 36625
190: ok 36626
190: ok 36627
190: ok 36628
190: ok 36629
190: ok 36630
190: ok 36631
190: ok 36632
190: ok 36633
190: ok 36634
190: ok 36635
190: ok 36636
190: ok 36637
190: ok 36638
190: ok 36639
190: ok 36640
190: ok 36641
190: ok 36642
190: ok 36643
190: ok 36644
190: ok 36645
190: ok 36646
190: ok 36647
190: ok 36648
190: ok 36649
190: ok 36650
190: ok 36651
190: ok 36652
190: ok 36653
190: ok 36654
190: ok 36655
190: ok 36656
190: ok 36657
190: ok 36658
190: ok 36659
190: ok 36660
190: ok 36661
190: ok 36662
190: ok 36663
190: ok 36664
190: ok 36665
190: ok 36666
190: ok 36667
190: ok 36668
190: ok 36669
190: ok 36670
190: ok 36671
190: ok 36672
190: ok 36673
190: ok 36674
190: ok 36675
190: ok 36676
190: ok 36677
190: ok 36678
190: ok 36679
190: ok 36680
190: ok 36681
190: ok 36682
190: ok 36683
190: ok 36684
190: ok 36685
190: ok 36686
190: ok 36687
190: ok 36688
190: ok 36689
190: ok 36690
190: ok 36691
190: ok 36692
190: ok 36693
190: ok 36694
190: ok 36695
190: ok 36696
190: ok 36697
190: ok 36698
190: ok 36699
190: ok 36700
190: ok 36701
190: ok 36702
190: ok 36703
190: ok 36704
190: ok 36705
190: ok 36706
190: ok 36707
190: ok 36708
190: ok 36709
190: ok 36710
190: ok 36711
190: ok 36712
190: ok 36713
190: ok 36714
190: ok 36715
190: ok 36716
190: ok 36717
190: ok 36718
190: ok 36719
190: ok 36720
190: ok 36721
190: ok 36722
190: ok 36723
190: ok 36724
190: ok 36725
190: ok 36726
190: ok 36727
190: ok 36728
190: ok 36729
190: ok 36730
190: ok 36731
190: ok 36732
190: ok 36733
190: ok 36734
190: ok 36735
190: ok 36736
190: ok 36737
190: ok 36738
190: ok 36739
190: ok 36740
190: ok 36741
190: ok 36742
190: ok 36743
190: ok 36744
190: ok 36745
190: ok 36746
190: ok 36747
190: ok 36748
190: ok 36749
190: ok 36750
190: ok 36751
190: ok 36752
190: ok 36753
190: ok 36754
190: ok 36755
190: ok 36756
190: ok 36757
190: ok 36758
190: ok 36759
190: ok 36760
190: ok 36761
190: ok 36762
190: ok 36763
190: ok 36764
190: ok 36765
190: ok 36766
190: ok 36767
190: ok 36768
190: ok 36769
190: ok 36770
190: ok 36771
190: ok 36772
190: ok 36773
190: ok 36774
190: ok 36775
190: ok 36776
190: ok 36777
190: ok 36778
190: ok 36779
190: ok 36780
190: ok 36781
190: ok 36782
190: ok 36783
190: ok 36784
190: ok 36785
190: ok 36786
190: ok 36787
190: ok 36788
190: ok 36789
190: ok 36790
190: ok 36791
190: ok 36792
190: ok 36793
190: ok 36794
190: ok 36795
190: ok 36796
190: ok 36797
190: ok 36798
190: ok 36799
190: ok 36800
190: ok 36801
190: ok 36802
190: ok 36803
190: ok 36804
190: ok 36805
190: ok 36806
190: ok 36807
190: ok 36808
190: ok 36809
190: ok 36810
190: ok 36811
190: ok 36812
190: ok 36813
190: ok 36814
190: ok 36815
190: ok 36816
190: ok 36817
190: ok 36818
190: ok 36819
190: ok 36820
190: ok 36821
190: ok 36822
190: ok 36823
190: ok 36824
190: ok 36825
190: ok 36826
190: ok 36827
190: ok 36828
190: ok 36829
190: ok 36830
190: ok 36831
190: ok 36832
190: ok 36833
190: ok 36834
190: ok 36835
190: ok 36836
190: ok 36837
190: ok 36838
190: ok 36839
190: ok 36840
190: ok 36841
190: ok 36842
190: ok 36843
190: ok 36844
190: ok 36845
190: ok 36846
190: ok 36847
190: ok 36848
190: ok 36849
190: ok 36850
190: ok 36851
190: ok 36852
190: ok 36853
190: ok 36854
190: ok 36855
190: ok 36856
190: ok 36857
190: ok 36858
190: ok 36859
190: ok 36860
190: ok 36861
190: ok 36862
190: ok 36863
190: ok 36864
190: ok 36865
190: ok 36866
190: ok 36867
190: ok 36868
190: ok 36869
190: ok 36870
190: ok 36871
190: ok 36872
190: ok 36873
190: ok 36874
190: ok 36875
190: ok 36876
190: ok 36877
190: ok 36878
190: ok 36879
190: ok 36880
190: ok 36881
190: ok 36882
190: ok 36883
190: ok 36884
190: ok 36885
190: ok 36886
190: ok 36887
190: ok 36888
190: ok 36889
190: ok 36890
190: ok 36891
190: ok 36892
190: ok 36893
190: ok 36894
190: ok 36895
190: ok 36896
190: ok 36897
190: ok 36898
190: ok 36899
190: ok 36900
190: ok 36901
190: ok 36902
190: ok 36903
190: ok 36904
190: ok 36905
190: ok 36906
190: ok 36907
190: ok 36908
190: ok 36909
190: ok 36910
190: ok 36911
190: ok 36912
190: ok 36913
190: ok 36914
190: ok 36915
190: ok 36916
190: ok 36917
190: ok 36918
190: ok 36919
190: ok 36920
190: ok 36921
190: ok 36922
190: ok 36923
190: ok 36924
190: ok 36925
190: ok 36926
190: ok 36927
190: ok 36928
190: ok 36929
190: ok 36930
190: ok 36931
190: ok 36932
190: ok 36933
190: ok 36934
190: ok 36935
190: ok 36936
190: ok 36937
190: ok 36938
190: ok 36939
190: ok 36940
190: ok 36941
190: ok 36942
190: ok 36943
190: ok 36944
190: ok 36945
190: ok 36946
190: ok 36947
190: ok 36948
190: ok 36949
190: ok 36950
190: ok 36951
190: ok 36952
190: ok 36953
190: ok 36954
190: ok 36955
190: ok 36956
190: ok 36957
190: ok 36958
190: ok 36959
190: ok 36960
190: ok 36961
190: ok 36962
190: ok 36963
190: ok 36964
190: ok 36965
190: ok 36966
190: ok 36967
190: ok 36968
190: ok 36969
190: ok 36970
190: ok 36971
190: ok 36972
190: ok 36973
190: ok 36974
190: ok 36975
190: ok 36976
190: ok 36977
190: ok 36978
190: ok 36979
190: ok 36980
190: ok 36981
190: ok 36982
190: ok 36983
190: ok 36984
190: ok 36985
190: ok 36986
190: ok 36987
190: ok 36988
190: ok 36989
190: ok 36990
190: ok 36991
190: ok 36992
190: ok 36993
190: ok 36994
190: ok 36995
190: ok 36996
190: ok 36997
190: ok 36998
190: ok 36999
190: ok 37000
190: ok 37001
190: ok 37002
190: ok 37003
190: ok 37004
190: ok 37005
190: ok 37006
190: ok 37007
190: ok 37008
190: ok 37009
190: ok 37010
190: ok 37011
190: ok 37012
190: ok 37013
190: ok 37014
190: ok 37015
190: ok 37016
190: ok 37017
190: ok 37018
190: ok 37019
190: ok 37020
190: ok 37021
190: ok 37022
190: ok 37023
190: ok 37024
190: ok 37025
190: ok 37026
190: ok 37027
190: ok 37028
190: ok 37029
190: ok 37030
190: ok 37031
190: ok 37032
190: ok 37033
190: ok 37034
190: ok 37035
190: ok 37036
190: ok 37037
190: ok 37038
190: ok 37039
190: ok 37040
190: ok 37041
190: ok 37042
190: ok 37043
190: ok 37044
190: ok 37045
190: ok 37046
190: ok 37047
190: ok 37048
190: ok 37049
190: ok 37050
190: ok 37051
190: ok 37052
190: ok 37053
190: ok 37054
190: ok 37055
190: ok 37056
190: ok 37057
190: ok 37058
190: ok 37059
190: ok 37060
190: ok 37061
190: ok 37062
190: ok 37063
190: ok 37064
190: ok 37065
190: ok 37066
190: ok 37067
190: ok 37068
190: ok 37069
190: ok 37070
190: ok 37071
190: ok 37072
190: ok 37073
190: ok 37074
190: ok 37075
190: ok 37076
190: ok 37077
190: ok 37078
190: ok 37079
190: ok 37080
190: ok 37081
190: ok 37082
190: ok 37083
190: ok 37084
190: ok 37085
190: ok 37086
190: ok 37087
190: ok 37088
190: ok 37089
190: ok 37090
190: ok 37091
190: ok 37092
190: ok 37093
190: ok 37094
190: ok 37095
190: ok 37096
190: ok 37097
190: ok 37098
190: ok 37099
190: ok 37100
190: ok 37101
190: ok 37102
190: ok 37103
190: ok 37104
190: ok 37105
190: ok 37106
190: ok 37107
190: ok 37108
190: ok 37109
190: ok 37110
190: ok 37111
190: ok 37112
190: ok 37113
190: ok 37114
190: ok 37115
190: ok 37116
190: ok 37117
190: ok 37118
190: ok 37119
190: ok 37120
190: ok 37121
190: ok 37122
190: ok 37123
190: ok 37124
190: ok 37125
190: ok 37126
190: ok 37127
190: ok 37128
190: ok 37129
190: ok 37130
190: ok 37131
190: ok 37132
190: ok 37133
190: ok 37134
190: ok 37135
190: ok 37136
190: ok 37137
190: ok 37138
190: ok 37139
190: ok 37140
190: ok 37141
190: ok 37142
190: ok 37143
190: ok 37144
190: ok 37145
190: ok 37146
190: ok 37147
190: ok 37148
190: ok 37149
190: ok 37150
190: ok 37151
190: ok 37152
190: ok 37153
190: ok 37154
190: ok 37155
190: ok 37156
190: ok 37157
190: ok 37158
190: ok 37159
190: ok 37160
190: ok 37161
190: ok 37162
190: ok 37163
190: ok 37164
190: ok 37165
190: ok 37166
190: ok 37167
190: ok 37168
190: ok 37169
190: ok 37170
190: ok 37171
190: ok 37172
190: ok 37173
190: ok 37174
190: ok 37175
190: ok 37176
190: ok 37177
190: ok 37178
190: ok 37179
190: ok 37180
190: ok 37181
190: ok 37182
190: ok 37183
190: ok 37184
190: ok 37185
190: ok 37186
190: ok 37187
190: ok 37188
190: ok 37189
190: ok 37190
190: ok 37191
190: ok 37192
190: ok 37193
190: ok 37194
190: ok 37195
190: ok 37196
190: ok 37197
190: ok 37198
190: ok 37199
190: ok 37200
190: ok 37201
190: ok 37202
190: ok 37203
190: ok 37204
190: ok 37205
190: ok 37206
190: ok 37207
190: ok 37208
190: ok 37209
190: ok 37210
190: ok 37211
190: ok 37212
190: ok 37213
190: ok 37214
190: ok 37215
190: ok 37216
190: ok 37217
190: ok 37218
190: ok 37219
190: ok 37220
190: ok 37221
190: ok 37222
190: ok 37223
190: ok 37224
190: ok 37225
190: ok 37226
190: ok 37227
190: ok 37228
190: ok 37229
190: ok 37230
190: ok 37231
190: ok 37232
190: ok 37233
190: ok 37234
190: ok 37235
190: ok 37236
190: ok 37237
190: ok 37238
190: ok 37239
190: ok 37240
190: ok 37241
190: ok 37242
190: ok 37243
190: ok 37244
190: ok 37245
190: ok 37246
190: ok 37247
190: ok 37248
190: ok 37249
190: ok 37250
190: ok 37251
190: ok 37252
190: ok 37253
190: ok 37254
190: ok 37255
190: ok 37256
190: ok 37257
190: ok 37258
190: ok 37259
190: ok 37260
190: ok 37261
190: ok 37262
190: ok 37263
190: ok 37264
190: ok 37265
190: ok 37266
190: ok 37267
190: ok 37268
190: ok 37269
190: ok 37270
190: ok 37271
190: ok 37272
190: ok 37273
190: ok 37274
190: ok 37275
190: ok 37276
190: ok 37277
190: ok 37278
190: ok 37279
190: ok 37280
190: ok 37281
190: ok 37282
190: ok 37283
190: ok 37284
190: ok 37285
190: ok 37286
190: ok 37287
190: ok 37288
190: ok 37289
190: ok 37290
190: ok 37291
190: ok 37292
190: ok 37293
190: ok 37294
190: ok 37295
190: ok 37296
190: ok 37297
190: ok 37298
190: ok 37299
190: ok 37300
190: ok 37301
190: ok 37302
190: ok 37303
190: ok 37304
190: ok 37305
190: ok 37306
190: ok 37307
190: ok 37308
190: ok 37309
190: ok 37310
190: ok 37311
190: ok 37312
190: ok 37313
190: ok 37314
190: ok 37315
190: ok 37316
190: ok 37317
190: ok 37318
190: ok 37319
190: ok 37320
190: ok 37321
190: ok 37322
190: ok 37323
190: ok 37324
190: ok 37325
190: ok 37326
190: ok 37327
190: ok 37328
190: ok 37329
190: ok 37330
190: ok 37331
190: ok 37332
190: ok 37333
190: ok 37334
190: ok 37335
190: ok 37336
190: ok 37337
190: ok 37338
190: ok 37339
190: ok 37340
190: ok 37341
190: ok 37342
190: ok 37343
190: ok 37344
190: ok 37345
190: ok 37346
190: ok 37347
190: ok 37348
190: ok 37349
190: ok 37350
190: ok 37351
190: ok 37352
190: ok 37353
190: ok 37354
190: ok 37355
190: ok 37356
190: ok 37357
190: ok 37358
190: ok 37359
190: ok 37360
190: ok 37361
190: ok 37362
190: ok 37363
190: ok 37364
190: ok 37365
190: ok 37366
190: ok 37367
190: ok 37368
190: ok 37369
190: ok 37370
190: ok 37371
190: ok 37372
190: ok 37373
190: ok 37374
190: ok 37375
190: ok 37376
190: ok 37377
190: ok 37378
190: ok 37379
190: ok 37380
190: ok 37381
190: ok 37382
190: ok 37383
190: ok 37384
190: ok 37385
190: ok 37386
190: ok 37387
190: ok 37388
190: ok 37389
190: ok 37390
190: ok 37391
190: ok 37392
190: ok 37393
190: ok 37394
190: ok 37395
190: ok 37396
190: ok 37397
190: ok 37398
190: ok 37399
190: ok 37400
190: ok 37401
190: ok 37402
190: ok 37403
190: ok 37404
190: ok 37405
190: ok 37406
190: ok 37407
190: ok 37408
190: ok 37409
190: ok 37410
190: ok 37411
190: ok 37412
190: ok 37413
190: ok 37414
190: ok 37415
190: ok 37416
190: ok 37417
190: ok 37418
190: ok 37419
190: ok 37420
190: ok 37421
190: ok 37422
190: ok 37423
190: ok 37424
190: ok 37425
190: ok 37426
190: ok 37427
190: ok 37428
190: ok 37429
190: ok 37430
190: ok 37431
190: ok 37432
190: ok 37433
190: ok 37434
190: ok 37435
190: ok 37436
190: ok 37437
190: ok 37438
190: ok 37439
190: ok 37440
190: ok 37441
190: ok 37442
190: ok 37443
190: ok 37444
190: ok 37445
190: ok 37446
190: ok 37447
190: ok 37448
190: ok 37449
190: ok 37450
190: ok 37451
190: ok 37452
190: ok 37453
190: ok 37454
190: ok 37455
190: ok 37456
190: ok 37457
190: ok 37458
190: ok 37459
190: ok 37460
190: ok 37461
190: ok 37462
190: ok 37463
190: ok 37464
190: ok 37465
190: ok 37466
190: ok 37467
190: ok 37468
190: ok 37469
190: ok 37470
190: ok 37471
190: ok 37472
190: ok 37473
190: ok 37474
190: ok 37475
190: ok 37476
190: ok 37477
190: ok 37478
190: ok 37479
190: ok 37480
190: ok 37481
190: ok 37482
190: ok 37483
190: ok 37484
190: ok 37485
190: ok 37486
190: ok 37487
190: ok 37488
190: ok 37489
190: ok 37490
190: ok 37491
190: ok 37492
190: ok 37493
190: ok 37494
190: ok 37495
190: ok 37496
190: ok 37497
190: ok 37498
190: ok 37499
190: ok 37500
190: ok 37501
190: ok 37502
190: ok 37503
190: ok 37504
190: ok 37505
190: ok 37506
190: ok 37507
190: ok 37508
190: ok 37509
190: ok 37510
190: ok 37511
190: ok 37512
190: ok 37513
190: ok 37514
190: ok 37515
190: ok 37516
190: ok 37517
190: ok 37518
190: ok 37519
190: ok 37520
190: ok 37521
190: ok 37522
190: ok 37523
190: ok 37524
190: ok 37525
190: ok 37526
190: ok 37527
190: ok 37528
190: ok 37529
190: ok 37530
190: ok 37531
190: ok 37532
190: ok 37533
190: ok 37534
190: ok 37535
190: ok 37536
190: ok 37537
190: ok 37538
190: ok 37539
190: ok 37540
190: ok 37541
190: ok 37542
190: ok 37543
190: ok 37544
190: ok 37545
190: ok 37546
190: ok 37547
190: ok 37548
190: ok 37549
190: ok 37550
190: ok 37551
190: ok 37552
190: ok 37553
190: ok 37554
190: ok 37555
190: ok 37556
190: ok 37557
190: ok 37558
190: ok 37559
190: ok 37560
190: ok 37561
190: ok 37562
190: ok 37563
190: ok 37564
190: ok 37565
190: ok 37566
190: ok 37567
190: ok 37568
190: ok 37569
190: ok 37570
190: ok 37571
190: ok 37572
190: ok 37573
190: ok 37574
190: ok 37575
190: ok 37576
190: ok 37577
190: ok 37578
190: ok 37579
190: ok 37580
190: ok 37581
190: ok 37582
190: ok 37583
190: ok 37584
190: ok 37585
190: ok 37586
190: ok 37587
190: ok 37588
190: ok 37589
190: ok 37590
190: ok 37591
190: ok 37592
190: ok 37593
190: ok 37594
190: ok 37595
190: ok 37596
190: ok 37597
190: ok 37598
190: ok 37599
190: ok 37600
190: ok 37601
190: ok 37602
190: ok 37603
190: ok 37604
190: ok 37605
190: ok 37606
190: ok 37607
190: ok 37608
190: ok 37609
190: ok 37610
190: ok 37611
190: ok 37612
190: ok 37613
190: ok 37614
190: ok 37615
190: ok 37616
190: ok 37617
190: ok 37618
190: ok 37619
190: ok 37620
190: ok 37621
190: ok 37622
190: ok 37623
190: ok 37624
190: ok 37625
190: ok 37626
190: ok 37627
190: ok 37628
190: ok 37629
190: ok 37630
190: ok 37631
190: ok 37632
190: ok 37633
190: ok 37634
190: ok 37635
190: ok 37636
190: ok 37637
190: ok 37638
190: ok 37639
190: ok 37640
190: ok 37641
190: ok 37642
190: ok 37643
190: ok 37644
190: ok 37645
190: ok 37646
190: ok 37647
190: ok 37648
190: ok 37649
190: ok 37650
190: ok 37651
190: ok 37652
190: ok 37653
190: ok 37654
190: ok 37655
190: ok 37656
190: ok 37657
190: ok 37658
190: ok 37659
190: ok 37660
190: ok 37661
190: ok 37662
190: ok 37663
190: ok 37664
190: ok 37665
190: ok 37666
190: ok 37667
190: ok 37668
190: ok 37669
190: ok 37670
190: ok 37671
190: ok 37672
190: ok 37673
190: ok 37674
190: ok 37675
190: ok 37676
190: ok 37677
190: ok 37678
190: ok 37679
190: ok 37680
190: ok 37681
190: ok 37682
190: ok 37683
190: ok 37684
190: ok 37685
190: ok 37686
190: ok 37687
190: ok 37688
190: ok 37689
190: ok 37690
190: ok 37691
190: ok 37692
190: ok 37693
190: ok 37694
190: ok 37695
190: ok 37696
190: ok 37697
190: ok 37698
190: ok 37699
190: ok 37700
190: ok 37701
190: ok 37702
190: ok 37703
190: ok 37704
190: ok 37705
190: ok 37706
190: ok 37707
190: ok 37708
190: ok 37709
190: ok 37710
190: ok 37711
190: ok 37712
190: ok 37713
190: ok 37714
190: ok 37715
190: ok 37716
190: ok 37717
190: ok 37718
190: ok 37719
190: ok 37720
190: ok 37721
190: ok 37722
190: ok 37723
190: ok 37724
190: ok 37725
190: ok 37726
190: ok 37727
190: ok 37728
190: ok 37729
190: ok 37730
190: ok 37731
190: ok 37732
190: ok 37733
190: ok 37734
190: ok 37735
190: ok 37736
190: ok 37737
190: ok 37738
190: ok 37739
190: ok 37740
190: ok 37741
190: ok 37742
190: ok 37743
190: ok 37744
190: ok 37745
190: ok 37746
190: ok 37747
190: ok 37748
190: ok 37749
190: ok 37750
190: ok 37751
190: ok 37752
190: ok 37753
190: ok 37754
190: ok 37755
190: ok 37756
190: ok 37757
190: ok 37758
190: ok 37759
190: ok 37760
190: ok 37761
190: ok 37762
190: ok 37763
190: ok 37764
190: ok 37765
190: ok 37766
190: ok 37767
190: ok 37768
190: ok 37769
190: ok 37770
190: ok 37771
190: ok 37772
190: ok 37773
190: ok 37774
190: ok 37775
190: ok 37776
190: ok 37777
190: ok 37778
190: ok 37779
190: ok 37780
190: ok 37781
190: ok 37782
190: ok 37783
190: ok 37784
190: ok 37785
190: ok 37786
190: ok 37787
190: ok 37788
190: ok 37789
190: ok 37790
190: ok 37791
190: ok 37792
190: ok 37793
190: ok 37794
190: ok 37795
190: ok 37796
190: ok 37797
190: ok 37798
190: ok 37799
190: ok 37800
190: ok 37801
190: ok 37802
190: ok 37803
190: ok 37804
190: ok 37805
190: ok 37806
190: ok 37807
190: ok 37808
190: ok 37809
190: ok 37810
190: ok 37811
190: ok 37812
190: ok 37813
190: ok 37814
190: ok 37815
190: ok 37816
190: ok 37817
190: ok 37818
190: ok 37819
190: ok 37820
190: ok 37821
190: ok 37822
190: ok 37823
190: ok 37824
190: ok 37825
190: ok 37826
190: ok 37827
190: ok 37828
190: ok 37829
190: ok 37830
190: ok 37831
190: ok 37832
190: ok 37833
190: ok 37834
190: ok 37835
190: ok 37836
190: ok 37837
190: ok 37838
190: ok 37839
190: ok 37840
190: ok 37841
190: ok 37842
190: ok 37843
190: ok 37844
190: ok 37845
190: ok 37846
190: ok 37847
190: ok 37848
190: ok 37849
190: ok 37850
190: ok 37851
190: ok 37852
190: ok 37853
190: ok 37854
190: ok 37855
190: ok 37856
190: ok 37857
190: ok 37858
190: ok 37859
190: ok 37860
190: ok 37861
190: ok 37862
190: ok 37863
190: ok 37864
190: ok 37865
190: ok 37866
190: ok 37867
190: ok 37868
190: ok 37869
190: ok 37870
190: ok 37871
190: ok 37872
190: ok 37873
190: ok 37874
190: ok 37875
190: ok 37876
190: ok 37877
190: ok 37878
190: ok 37879
190: ok 37880
190: ok 37881
190: ok 37882
190: ok 37883
190: ok 37884
190: ok 37885
190: ok 37886
190: ok 37887
190: ok 37888
190: ok 37889
190: ok 37890
190: ok 37891
190: ok 37892
190: ok 37893
190: ok 37894
190: ok 37895
190: ok 37896
190: ok 37897
190: ok 37898
190: ok 37899
190: ok 37900
190: ok 37901
190: ok 37902
190: ok 37903
190: ok 37904
190: ok 37905
190: ok 37906
190: ok 37907
190: ok 37908
190: ok 37909
190: ok 37910
190: ok 37911
190: ok 37912
190: ok 37913
190: ok 37914
190: ok 37915
190: ok 37916
190: ok 37917
190: ok 37918
190: ok 37919
190: ok 37920
190: ok 37921
190: ok 37922
190: ok 37923
190: ok 37924
190: ok 37925
190: ok 37926
190: ok 37927
190: ok 37928
190: ok 37929
190: ok 37930
190: ok 37931
190: ok 37932
190: ok 37933
190: ok 37934
190: ok 37935
190: ok 37936
190: ok 37937
190: ok 37938
190: ok 37939
190: ok 37940
190: ok 37941
190: ok 37942
190: ok 37943
190: ok 37944
190: ok 37945
190: ok 37946
190: ok 37947
190: ok 37948
190: ok 37949
190: ok 37950
190: ok 37951
190: ok 37952
190: ok 37953
190: ok 37954
190: ok 37955
190: ok 37956
190: ok 37957
190: ok 37958
190: ok 37959
190: ok 37960
190: ok 37961
190: ok 37962
190: ok 37963
190: ok 37964
190: ok 37965
190: ok 37966
190: ok 37967
190: ok 37968
190: ok 37969
190: ok 37970
190: ok 37971
190: ok 37972
190: ok 37973
190: ok 37974
190: ok 37975
190: ok 37976
190: ok 37977
190: ok 37978
190: ok 37979
190: ok 37980
190: ok 37981
190: ok 37982
190: ok 37983
190: ok 37984
190: ok 37985
190: ok 37986
190: ok 37987
190: ok 37988
190: ok 37989
190: ok 37990
190: ok 37991
190: ok 37992
190: ok 37993
190: ok 37994
190: ok 37995
190: ok 37996
190: ok 37997
190: ok 37998
190: ok 37999
190: ok 38000
190: ok 38001
190: ok 38002
190: ok 38003
190: ok 38004
190: ok 38005
190: ok 38006
190: ok 38007
190: ok 38008
190: ok 38009
190: ok 38010
190: ok 38011
190: ok 38012
190: ok 38013
190: ok 38014
190: ok 38015
190: ok 38016
190: ok 38017
190: ok 38018
190: ok 38019
190: ok 38020
190: ok 38021
190: ok 38022
190: ok 38023
190: ok 38024
190: ok 38025
190: ok 38026
190: ok 38027
190: ok 38028
190: ok 38029
190: ok 38030
190: ok 38031
190: ok 38032
190: ok 38033
190: ok 38034
190: ok 38035
190: ok 38036
190: ok 38037
190: ok 38038
190: ok 38039
190: ok 38040
190: ok 38041
190: ok 38042
190: ok 38043
190: ok 38044
190: ok 38045
190: ok 38046
190: ok 38047
190: ok 38048
190: ok 38049
190: ok 38050
190: ok 38051
190: ok 38052
190: ok 38053
190: ok 38054
190: ok 38055
190: ok 38056
190: ok 38057
190: ok 38058
190: ok 38059
190: ok 38060
190: ok 38061
190: ok 38062
190: ok 38063
190: ok 38064
190: ok 38065
190: ok 38066
190: ok 38067
190: ok 38068
190: ok 38069
190: ok 38070
190: ok 38071
190: ok 38072
190: ok 38073
190: ok 38074
190: ok 38075
190: ok 38076
190: ok 38077
190: ok 38078
190: ok 38079
190: ok 38080
190: ok 38081
190: ok 38082
190: ok 38083
190: ok 38084
190: ok 38085
190: ok 38086
190: ok 38087
190: ok 38088
190: ok 38089
190: ok 38090
190: ok 38091
190: ok 38092
190: ok 38093
190: ok 38094
190: ok 38095
190: ok 38096
190: ok 38097
190: ok 38098
190: ok 38099
190: ok 38100
190: ok 38101
190: ok 38102
190: ok 38103
190: ok 38104
190: ok 38105
190: ok 38106
190: ok 38107
190: ok 38108
190: ok 38109
190: ok 38110
190: ok 38111
190: ok 38112
190: ok 38113
190: ok 38114
190: ok 38115
190: ok 38116
190: ok 38117
190: ok 38118
190: ok 38119
190: ok 38120
190: ok 38121
190: ok 38122
190: ok 38123
190: ok 38124
190: ok 38125
190: ok 38126
190: ok 38127
190: ok 38128
190: ok 38129
190: ok 38130
190: ok 38131
190: ok 38132
190: ok 38133
190: ok 38134
190: ok 38135
190: ok 38136
190: ok 38137
190: ok 38138
190: ok 38139
190: ok 38140
190: ok 38141
190: ok 38142
190: ok 38143
190: ok 38144
190: ok 38145
190: ok 38146
190: ok 38147
190: ok 38148
190: ok 38149
190: ok 38150
190: ok 38151
190: ok 38152
190: ok 38153
190: ok 38154
190: ok 38155
190: ok 38156
190: ok 38157
190: ok 38158
190: ok 38159
190: ok 38160
190: ok 38161
190: ok 38162
190: ok 38163
190: ok 38164
190: ok 38165
190: ok 38166
190: ok 38167
190: ok 38168
190: ok 38169
190: ok 38170
190: ok 38171
190: ok 38172
190: ok 38173
190: ok 38174
190: ok 38175
190: ok 38176
190: ok 38177
190: ok 38178
190: ok 38179
190: ok 38180
190: ok 38181
190: ok 38182
190: ok 38183
190: ok 38184
190: ok 38185
190: ok 38186
190: ok 38187
190: ok 38188
190: ok 38189
190: ok 38190
190: ok 38191
190: ok 38192
190: ok 38193
190: ok 38194
190: ok 38195
190: ok 38196
190: ok 38197
190: ok 38198
190: ok 38199
190: ok 38200
190: ok 38201
190: ok 38202
190: ok 38203
190: ok 38204
190: ok 38205
190: ok 38206
190: ok 38207
190: ok 38208
190: ok 38209
190: ok 38210
190: ok 38211
190: ok 38212
190: ok 38213
190: ok 38214
190: ok 38215
190: ok 38216
190: ok 38217
190: ok 38218
190: ok 38219
190: ok 38220
190: ok 38221
190: ok 38222
190: ok 38223
190: ok 38224
190: ok 38225
190: ok 38226
190: ok 38227
190: ok 38228
190: ok 38229
190: ok 38230
190: ok 38231
190: ok 38232
190: ok 38233
190: ok 38234
190: ok 38235
190: ok 38236
190: ok 38237
190: ok 38238
190: ok 38239
190: ok 38240
190: ok 38241
190: ok 38242
190: ok 38243
190: ok 38244
190: ok 38245
190: ok 38246
190: ok 38247
190: ok 38248
190: ok 38249
190: ok 38250
190: ok 38251
190: ok 38252
190: ok 38253
190: ok 38254
190: ok 38255
190: ok 38256
190: ok 38257
190: ok 38258
190: ok 38259
190: ok 38260
190: ok 38261
190: ok 38262
190: ok 38263
190: ok 38264
190: ok 38265
190: ok 38266
190: ok 38267
190: ok 38268
190: ok 38269
190: ok 38270
190: ok 38271
190: ok 38272
190: ok 38273
190: ok 38274
190: ok 38275
190: ok 38276
190: ok 38277
190: ok 38278
190: ok 38279
190: ok 38280
190: ok 38281
190: ok 38282
190: ok 38283
190: ok 38284
190: ok 38285
190: ok 38286
190: ok 38287
190: ok 38288
190: ok 38289
190: ok 38290
190: ok 38291
190: ok 38292
190: ok 38293
190: ok 38294
190: ok 38295
190: ok 38296
190: ok 38297
190: ok 38298
190: ok 38299
190: ok 38300
190: ok 38301
190: ok 38302
190: ok 38303
190: ok 38304
190: ok 38305
190: ok 38306
190: ok 38307
190: ok 38308
190: ok 38309
190: ok 38310
190: ok 38311
190: ok 38312
190: ok 38313
190: ok 38314
190: ok 38315
190: ok 38316
190: ok 38317
190: ok 38318
190: ok 38319
190: ok 38320
190: ok 38321
190: ok 38322
190: ok 38323
190: ok 38324
190: ok 38325
190: ok 38326
190: ok 38327
190: ok 38328
190: ok 38329
190: ok 38330
190: ok 38331
190: ok 38332
190: ok 38333
190: ok 38334
190: ok 38335
190: ok 38336
190: ok 38337
190: ok 38338
190: ok 38339
190: ok 38340
190: ok 38341
190: ok 38342
190: ok 38343
190: ok 38344
190: ok 38345
190: ok 38346
190: ok 38347
190: ok 38348
190: ok 38349
190: ok 38350
190: ok 38351
190: ok 38352
190: ok 38353
190: ok 38354
190: ok 38355
190: ok 38356
190: ok 38357
190: ok 38358
190: ok 38359
190: ok 38360
190: ok 38361
190: ok 38362
190: ok 38363
190: ok 38364
190: ok 38365
190: ok 38366
190: ok 38367
190: ok 38368
190: ok 38369
190: ok 38370
190: ok 38371
190: ok 38372
190: ok 38373
190: ok 38374
190: ok 38375
190: ok 38376
190: ok 38377
190: ok 38378
190: ok 38379
190: ok 38380
190: ok 38381
190: ok 38382
190: ok 38383
190: ok 38384
190: ok 38385
190: ok 38386
190: ok 38387
190: ok 38388
190: ok 38389
190: ok 38390
190: ok 38391
190: ok 38392
190: ok 38393
190: ok 38394
190: ok 38395
190: ok 38396
190: ok 38397
190: ok 38398
190: ok 38399
190: ok 38400
190: ok 38401
190: ok 38402
190: ok 38403
190: ok 38404
190: ok 38405
190: ok 38406
190: ok 38407
190: ok 38408
190: ok 38409
190: ok 38410
190: ok 38411
190: ok 38412
190: ok 38413
190: ok 38414
190: ok 38415
190: ok 38416
190: ok 38417
190: ok 38418
190: ok 38419
190: ok 38420
190: ok 38421
190: ok 38422
190: ok 38423
190: ok 38424
190: ok 38425
190: ok 38426
190: ok 38427
190: ok 38428
190: ok 38429
190: ok 38430
190: ok 38431
190: ok 38432
190: ok 38433
190: ok 38434
190: ok 38435
190: ok 38436
190: ok 38437
190: ok 38438
190: ok 38439
190: ok 38440
190: ok 38441
190: ok 38442
190: ok 38443
190: ok 38444
190: ok 38445
190: ok 38446
190: ok 38447
190: ok 38448
190: ok 38449
190: ok 38450
190: ok 38451
190: ok 38452
190: ok 38453
190: ok 38454
190: ok 38455
190: ok 38456
190: ok 38457
190: ok 38458
190: ok 38459
190: ok 38460
190: ok 38461
190: ok 38462
190: ok 38463
190: ok 38464
190: ok 38465
190: ok 38466
190: ok 38467
190: ok 38468
190: ok 38469
190: ok 38470
190: ok 38471
190: ok 38472
190: ok 38473
190: ok 38474
190: ok 38475
190: ok 38476
190: ok 38477
190: ok 38478
190: ok 38479
190: ok 38480
190: ok 38481
190: ok 38482
190: ok 38483
190: ok 38484
190: ok 38485
190: ok 38486
190: ok 38487
190: ok 38488
190: ok 38489
190: ok 38490
190: ok 38491
190: ok 38492
190: ok 38493
190: ok 38494
190: ok 38495
190: ok 38496
190: ok 38497
190: ok 38498
190: ok 38499
190: ok 38500
190: ok 38501
190: ok 38502
190: ok 38503
190: ok 38504
190: ok 38505
190: ok 38506
190: ok 38507
190: ok 38508
190: ok 38509
190: ok 38510
190: ok 38511
190: ok 38512
190: ok 38513
190: ok 38514
190: ok 38515
190: ok 38516
190: ok 38517
190: ok 38518
190: ok 38519
190: ok 38520
190: ok 38521
190: ok 38522
190: ok 38523
190: ok 38524
190: ok 38525
190: ok 38526
190: ok 38527
190: ok 38528
190: ok 38529
190: ok 38530
190: ok 38531
190: ok 38532
190: ok 38533
190: ok 38534
190: ok 38535
190: ok 38536
190: ok 38537
190: ok 38538
190: ok 38539
190: ok 38540
190: ok 38541
190: ok 38542
190: ok 38543
190: ok 38544
190: ok 38545
190: ok 38546
190: ok 38547
190: ok 38548
190: ok 38549
190: ok 38550
190: ok 38551
190: ok 38552
190: ok 38553
190: ok 38554
190: ok 38555
190: ok 38556
190: ok 38557
190: ok 38558
190: ok 38559
190: ok 38560
190: ok 38561
190: ok 38562
190: ok 38563
190: ok 38564
190: ok 38565
190: ok 38566
190: ok 38567
190: ok 38568
190: ok 38569
190: ok 38570
190: ok 38571
190: ok 38572
190: ok 38573
190: ok 38574
190: ok 38575
190: ok 38576
190: ok 38577
190: ok 38578
190: ok 38579
190: ok 38580
190: ok 38581
190: ok 38582
190: ok 38583
190: ok 38584
190: ok 38585
190: ok 38586
190: ok 38587
190: ok 38588
190: ok 38589
190: ok 38590
190: ok 38591
190: ok 38592
190: ok 38593
190: ok 38594
190: ok 38595
190: ok 38596
190: ok 38597
190: ok 38598
190: ok 38599
190: ok 38600
190: ok 38601
190: ok 38602
190: ok 38603
190: ok 38604
190: ok 38605
190: ok 38606
190: ok 38607
190: ok 38608
190: ok 38609
190: ok 38610
190: ok 38611
190: ok 38612
190: ok 38613
190: ok 38614
190: ok 38615
190: ok 38616
190: ok 38617
190: ok 38618
190: ok 38619
190: ok 38620
190: ok 38621
190: ok 38622
190: ok 38623
190: ok 38624
190: ok 38625
190: ok 38626
190: ok 38627
190: ok 38628
190: ok 38629
190: ok 38630
190: ok 38631
190: ok 38632
190: ok 38633
190: ok 38634
190: ok 38635
190: ok 38636
190: ok 38637
190: ok 38638
190: ok 38639
190: ok 38640
190: ok 38641
190: ok 38642
190: ok 38643
190: ok 38644
190: ok 38645
190: ok 38646
190: ok 38647
190: ok 38648
190: ok 38649
190: ok 38650
190: ok 38651
190: ok 38652
190: ok 38653
190: ok 38654
190: ok 38655
190: ok 38656
190: ok 38657
190: ok 38658
190: ok 38659
190: ok 38660
190: ok 38661
190: ok 38662
190: ok 38663
190: ok 38664
190: ok 38665
190: ok 38666
190: ok 38667
190: ok 38668
190: ok 38669
190: ok 38670
190: ok 38671
190: ok 38672
190: ok 38673
190: ok 38674
190: ok 38675
190: ok 38676
190: ok 38677
190: ok 38678
190: ok 38679
190: ok 38680
190: ok 38681
190: ok 38682
190: ok 38683
190: ok 38684
190: ok 38685
190: ok 38686
190: ok 38687
190: ok 38688
190: ok 38689
190: ok 38690
190: ok 38691
190: ok 38692
190: ok 38693
190: ok 38694
190: ok 38695
190: ok 38696
190: ok 38697
190: ok 38698
190: ok 38699
190: ok 38700
190: ok 38701
190: ok 38702
190: ok 38703
190: ok 38704
190: ok 38705
190: ok 38706
190: ok 38707
190: ok 38708
190: ok 38709
190: ok 38710
190: ok 38711
190: ok 38712
190: ok 38713
190: ok 38714
190: ok 38715
190: ok 38716
190: ok 38717
190: ok 38718
190: ok 38719
190: ok 38720
190: ok 38721
190: ok 38722
190: ok 38723
190: ok 38724
190: ok 38725
190: ok 38726
190: ok 38727
190: ok 38728
190: ok 38729
190: ok 38730
190: ok 38731
190: ok 38732
190: ok 38733
190: ok 38734
190: ok 38735
190: ok 38736
190: ok 38737
190: ok 38738
190: ok 38739
190: ok 38740
190: ok 38741
190: ok 38742
190: ok 38743
190: ok 38744
190: ok 38745
190: ok 38746
190: ok 38747
190: ok 38748
190: ok 38749
190: ok 38750
190: ok 38751
190: ok 38752
190: ok 38753
190: ok 38754
190: ok 38755
190: ok 38756
190: ok 38757
190: ok 38758
190: ok 38759
190: ok 38760
190: ok 38761
190: ok 38762
190: ok 38763
190: ok 38764
190: ok 38765
190: ok 38766
190: ok 38767
190: ok 38768
190: ok 38769
190: ok 38770
190: ok 38771
190: ok 38772
190: ok 38773
190: ok 38774
190: ok 38775
190: ok 38776
190: ok 38777
190: ok 38778
190: ok 38779
190: ok 38780
190: ok 38781
190: ok 38782
190: ok 38783
190: ok 38784
190: ok 38785
190: ok 38786
190: ok 38787
190: ok 38788
190: ok 38789
190: ok 38790
190: ok 38791
190: ok 38792
190: ok 38793
190: ok 38794
190: ok 38795
190: ok 38796
190: ok 38797
190: ok 38798
190: ok 38799
190: ok 38800
190: ok 38801
190: ok 38802
190: ok 38803
190: ok 38804
190: ok 38805
190: ok 38806
190: ok 38807
190: ok 38808
190: ok 38809
190: ok 38810
190: ok 38811
190: ok 38812
190: ok 38813
190: ok 38814
190: ok 38815
190: ok 38816
190: ok 38817
190: ok 38818
190: ok 38819
190: ok 38820
190: ok 38821
190: ok 38822
190: ok 38823
190: ok 38824
190: ok 38825
190: ok 38826
190: ok 38827
190: ok 38828
190: ok 38829
190: ok 38830
190: ok 38831
190: ok 38832
190: ok 38833
190: ok 38834
190: ok 38835
190: ok 38836
190: ok 38837
190: ok 38838
190: ok 38839
190: ok 38840
190: ok 38841
190: ok 38842
190: ok 38843
190: ok 38844
190: ok 38845
190: ok 38846
190: ok 38847
190: ok 38848
190: ok 38849
190: ok 38850
190: ok 38851
190: ok 38852
190: ok 38853
190: ok 38854
190: ok 38855
190: ok 38856
190: ok 38857
190: ok 38858
190: ok 38859
190: ok 38860
190: ok 38861
190: ok 38862
190: ok 38863
190: ok 38864
190: ok 38865
190: ok 38866
190: ok 38867
190: ok 38868
190: ok 38869
190: ok 38870
190: ok 38871
190: ok 38872
190: ok 38873
190: ok 38874
190: ok 38875
190: ok 38876
190: ok 38877
190: ok 38878
190: ok 38879
190: ok 38880
190: ok 38881
190: ok 38882
190: ok 38883
190: ok 38884
190: ok 38885
190: ok 38886
190: ok 38887
190: ok 38888
190: ok 38889
190: ok 38890
190: ok 38891
190: ok 38892
190: ok 38893
190: ok 38894
190: ok 38895
190: ok 38896
190: ok 38897
190: ok 38898
190: ok 38899
190: ok 38900
190: ok 38901
190: ok 38902
190: ok 38903
190: ok 38904
190: ok 38905
190: ok 38906
190: ok 38907
190: ok 38908
190: ok 38909
190: ok 38910
190: ok 38911
190: ok 38912
190: ok 38913
190: ok 38914
190: ok 38915
190: ok 38916
190: ok 38917
190: ok 38918
190: ok 38919
190: ok 38920
190: ok 38921
190: ok 38922
190: ok 38923
190: ok 38924
190: ok 38925
190: ok 38926
190: ok 38927
190: ok 38928
190: ok 38929
190: ok 38930
190: ok 38931
190: ok 38932
190: ok 38933
190: ok 38934
190: ok 38935
190: ok 38936
190: ok 38937
190: ok 38938
190: ok 38939
190: ok 38940
190: ok 38941
190: ok 38942
190: ok 38943
190: ok 38944
190: ok 38945
190: ok 38946
190: ok 38947
190: ok 38948
190: ok 38949
190: ok 38950
190: ok 38951
190: ok 38952
190: ok 38953
190: ok 38954
190: ok 38955
190: ok 38956
190: ok 38957
190: ok 38958
190: ok 38959
190: ok 38960
190: ok 38961
190: ok 38962
190: ok 38963
190: ok 38964
190: ok 38965
190: ok 38966
190: ok 38967
190: ok 38968
190: ok 38969
190: ok 38970
190: ok 38971
190: ok 38972
190: ok 38973
190: ok 38974
190: ok 38975
190: ok 38976
190: ok 38977
190: ok 38978
190: ok 38979
190: ok 38980
190: ok 38981
190: ok 38982
190: ok 38983
190: ok 38984
190: ok 38985
190: ok 38986
190: ok 38987
190: ok 38988
190: ok 38989
190: ok 38990
190: ok 38991
190: ok 38992
190: ok 38993
190: ok 38994
190: ok 38995
190: ok 38996
190: ok 38997
190: ok 38998
190: ok 38999
190: ok 39000
190: ok 39001
190: ok 39002
190: ok 39003
190: ok 39004
190: ok 39005
190: ok 39006
190: ok 39007
190: ok 39008
190: ok 39009
190: ok 39010
190: ok 39011
190: ok 39012
190: ok 39013
190: ok 39014
190: ok 39015
190: ok 39016
190: ok 39017
190: ok 39018
190: ok 39019
190: ok 39020
190: ok 39021
190: ok 39022
190: ok 39023
190: ok 39024
190: ok 39025
190: ok 39026
190: ok 39027
190: ok 39028
190: ok 39029
190: ok 39030
190: ok 39031
190: ok 39032
190: ok 39033
190: ok 39034
190: ok 39035
190: ok 39036
190: ok 39037
190: ok 39038
190: ok 39039
190: ok 39040
190: ok 39041
190: ok 39042
190: ok 39043
190: ok 39044
190: ok 39045
190: ok 39046
190: ok 39047
190: ok 39048
190: ok 39049
190: ok 39050
190: ok 39051
190: ok 39052
190: ok 39053
190: ok 39054
190: ok 39055
190: ok 39056
190: ok 39057
190: ok 39058
190: ok 39059
190: ok 39060
190: ok 39061
190: ok 39062
190: ok 39063
190: ok 39064
190: ok 39065
190: ok 39066
190: ok 39067
190: ok 39068
190: ok 39069
190: ok 39070
190: ok 39071
190: ok 39072
190: ok 39073
190: ok 39074
190: ok 39075
190: ok 39076
190: ok 39077
190: ok 39078
190: ok 39079
190: ok 39080
190: ok 39081
190: ok 39082
190: ok 39083
190: ok 39084
190: ok 39085
190: ok 39086
190: ok 39087
190: ok 39088
190: ok 39089
190: ok 39090
190: ok 39091
190: ok 39092
190: ok 39093
190: ok 39094
190: ok 39095
190: ok 39096
190: ok 39097
190: ok 39098
190: ok 39099
190: ok 39100
190: ok 39101
190: ok 39102
190: ok 39103
190: ok 39104
190: ok 39105
190: ok 39106
190: ok 39107
190: ok 39108
190: ok 39109
190: ok 39110
190: ok 39111
190: ok 39112
190: ok 39113
190: ok 39114
190: ok 39115
190: ok 39116
190: ok 39117
190: ok 39118
190: ok 39119
190: ok 39120
190: ok 39121
190: ok 39122
190: ok 39123
190: ok 39124
190: ok 39125
190: ok 39126
190: ok 39127
190: ok 39128
190: ok 39129
190: ok 39130
190: ok 39131
190: ok 39132
190: ok 39133
190: ok 39134
190: ok 39135
190: ok 39136
190: ok 39137
190: ok 39138
190: ok 39139
190: ok 39140
190: ok 39141
190: ok 39142
190: ok 39143
190: ok 39144
190: ok 39145
190: ok 39146
190: ok 39147
190: ok 39148
190: ok 39149
190: ok 39150
190: ok 39151
190: ok 39152
190: ok 39153
190: ok 39154
190: ok 39155
190: ok 39156
190: ok 39157
190: ok 39158
190: ok 39159
190: ok 39160
190: ok 39161
190: ok 39162
190: ok 39163
190: ok 39164
190: ok 39165
190: ok 39166
190: ok 39167
190: ok 39168
190: ok 39169
190: ok 39170
190: ok 39171
190: ok 39172
190: ok 39173
190: ok 39174
190: ok 39175
190: ok 39176
190: ok 39177
190: ok 39178
190: ok 39179
190: ok 39180
190: ok 39181
190: ok 39182
190: ok 39183
190: ok 39184
190: ok 39185
190: ok 39186
190: ok 39187
190: ok 39188
190: ok 39189
190: ok 39190
190: ok 39191
190: ok 39192
190: ok 39193
190: ok 39194
190: ok 39195
190: ok 39196
190: ok 39197
190: ok 39198
190: ok 39199
190: ok 39200
190: ok 39201
190: ok 39202
190: ok 39203
190: ok 39204
190: ok 39205
190: ok 39206
190: ok 39207
190: ok 39208
190: ok 39209
190: ok 39210
190: ok 39211
190: ok 39212
190: ok 39213
190: ok 39214
190: ok 39215
190: ok 39216
190: ok 39217
190: ok 39218
190: ok 39219
190: ok 39220
190: ok 39221
190: ok 39222
190: ok 39223
190: ok 39224
190: ok 39225
190: ok 39226
190: ok 39227
190: ok 39228
190: ok 39229
190: ok 39230
190: ok 39231
190: ok 39232
190: ok 39233
190: ok 39234
190: ok 39235
190: ok 39236
190: ok 39237
190: ok 39238
190: ok 39239
190: ok 39240
190: ok 39241
190: ok 39242
190: ok 39243
190: ok 39244
190: ok 39245
190: ok 39246
190: ok 39247
190: ok 39248
190: ok 39249
190: ok 39250
190: ok 39251
190: ok 39252
190: ok 39253
190: ok 39254
190: ok 39255
190: ok 39256
190: ok 39257
190: ok 39258
190: ok 39259
190: ok 39260
190: ok 39261
190: ok 39262
190: ok 39263
190: ok 39264
190: ok 39265
190: ok 39266
190: ok 39267
190: ok 39268
190: ok 39269
190: ok 39270
190: ok 39271
190: ok 39272
190: ok 39273
190: ok 39274
190: ok 39275
190: ok 39276
190: ok 39277
190: ok 39278
190: ok 39279
190: ok 39280
190: ok 39281
190: ok 39282
190: ok 39283
190: ok 39284
190: ok 39285
190: ok 39286
190: ok 39287
190: ok 39288
190: ok 39289
190: ok 39290
190: ok 39291
190: ok 39292
190: ok 39293
190: ok 39294
190: ok 39295
190: ok 39296
190: ok 39297
190: ok 39298
190: ok 39299
190: ok 39300
190: ok 39301
190: ok 39302
190: ok 39303
190: ok 39304
190: ok 39305
190: ok 39306
190: ok 39307
190: ok 39308
190: ok 39309
190: ok 39310
190: ok 39311
190: ok 39312
190: ok 39313
190: ok 39314
190: ok 39315
190: ok 39316
190: ok 39317
190: ok 39318
190: ok 39319
190: ok 39320
190: ok 39321
190: ok 39322
190: ok 39323
190: ok 39324
190: ok 39325
190: ok 39326
190: ok 39327
190: ok 39328
190: ok 39329
190: ok 39330
190: ok 39331
190: ok 39332
190: ok 39333
190: ok 39334
190: ok 39335
190: ok 39336
190: ok 39337
190: ok 39338
190: ok 39339
190: ok 39340
190: ok 39341
190: ok 39342
190: ok 39343
190: ok 39344
190: ok 39345
190: ok 39346
190: ok 39347
190: ok 39348
190: ok 39349
190: ok 39350
190: ok 39351
190: ok 39352
190: ok 39353
190: ok 39354
190: ok 39355
190: ok 39356
190: ok 39357
190: ok 39358
190: ok 39359
190: ok 39360
190: ok 39361
190: ok 39362
190: ok 39363
190: ok 39364
190: ok 39365
190: ok 39366
190: ok 39367
190: ok 39368
190: ok 39369
190: ok 39370
190: ok 39371
190: ok 39372
190: ok 39373
190: ok 39374
190: ok 39375
190: ok 39376
190: ok 39377
190: ok 39378
190: ok 39379
190: ok 39380
190: ok 39381
190: ok 39382
190: ok 39383
190: ok 39384
190: ok 39385
190: ok 39386
190: ok 39387
190: ok 39388
190: ok 39389
190: ok 39390
190: ok 39391
190: ok 39392
190: ok 39393
190: ok 39394
190: ok 39395
190: ok 39396
190: ok 39397
190: ok 39398
190: ok 39399
190: ok 39400
190: ok 39401
190: ok 39402
190: ok 39403
190: ok 39404
190: ok 39405
190: ok 39406
190: ok 39407
190: ok 39408
190: ok 39409
190: ok 39410
190: ok 39411
190: ok 39412
190: ok 39413
190: ok 39414
190: ok 39415
190: ok 39416
190: ok 39417
190: ok 39418
190: ok 39419
190: ok 39420
190: ok 39421
190: ok 39422
190: ok 39423
190: ok 39424
190: ok 39425
190: ok 39426
190: ok 39427
190: ok 39428
190: ok 39429
190: ok 39430
190: ok 39431
190: ok 39432
190: ok 39433
190: ok 39434
190: ok 39435
190: ok 39436
190: ok 39437
190: ok 39438
190: ok 39439
190: ok 39440
190: ok 39441
190: ok 39442
190: ok 39443
190: ok 39444
190: ok 39445
190: ok 39446
190: ok 39447
190: ok 39448
190: ok 39449
190: ok 39450
190: ok 39451
190: ok 39452
190: ok 39453
190: ok 39454
190: ok 39455
190: ok 39456
190: ok 39457
190: ok 39458
190: ok 39459
190: ok 39460
190: ok 39461
190: ok 39462
190: ok 39463
190: ok 39464
190: ok 39465
190: ok 39466
190: ok 39467
190: ok 39468
190: ok 39469
190: ok 39470
190: ok 39471
190: ok 39472
190: ok 39473
190: ok 39474
190: ok 39475
190: ok 39476
190: ok 39477
190: ok 39478
190: ok 39479
190: ok 39480
190: ok 39481
190: ok 39482
190: ok 39483
190: ok 39484
190: ok 39485
190: ok 39486
190: ok 39487
190: ok 39488
190: ok 39489
190: ok 39490
190: ok 39491
190: ok 39492
190: ok 39493
190: ok 39494
190: ok 39495
190: ok 39496
190: ok 39497
190: ok 39498
190: ok 39499
190: ok 39500
190: ok 39501
190: ok 39502
190: ok 39503
190: ok 39504
190: ok 39505
190: ok 39506
190: ok 39507
190: ok 39508
190: ok 39509
190: ok 39510
190: ok 39511
190: ok 39512
190: ok 39513
190: ok 39514
190: ok 39515
190: ok 39516
190: ok 39517
190: ok 39518
190: ok 39519
190: ok 39520
190: ok 39521
190: ok 39522
190: ok 39523
190: ok 39524
190: ok 39525
190: ok 39526
190: ok 39527
190: ok 39528
190: ok 39529
190: ok 39530
190: ok 39531
190: ok 39532
190: ok 39533
190: ok 39534
190: ok 39535
190: ok 39536
190: ok 39537
190: ok 39538
190: ok 39539
190: ok 39540
190: ok 39541
190: ok 39542
190: ok 39543
190: ok 39544
190: ok 39545
190: ok 39546
190: ok 39547
190: ok 39548
190: ok 39549
190: ok 39550
190: ok 39551
190: ok 39552
190: ok 39553
190: ok 39554
190: ok 39555
190: ok 39556
190: ok 39557
190: ok 39558
190: ok 39559
190: ok 39560
190: ok 39561
190: ok 39562
190: ok 39563
190: ok 39564
190: ok 39565
190: ok 39566
190: ok 39567
190: ok 39568
190: ok 39569
190: ok 39570
190: ok 39571
190: ok 39572
190: ok 39573
190: ok 39574
190: ok 39575
190: ok 39576
190: ok 39577
190: ok 39578
190: ok 39579
190: ok 39580
190: ok 39581
190: ok 39582
190: ok 39583
190: ok 39584
190: ok 39585
190: ok 39586
190: ok 39587
190: ok 39588
190: ok 39589
190: ok 39590
190: ok 39591
190: ok 39592
190: ok 39593
190: ok 39594
190: ok 39595
190: ok 39596
190: ok 39597
190: ok 39598
190: ok 39599
190: ok 39600
190: ok 39601
190: ok 39602
190: ok 39603
190: ok 39604
190: ok 39605
190: ok 39606
190: ok 39607
190: ok 39608
190: ok 39609
190: ok 39610
190: ok 39611
190: ok 39612
190: ok 39613
190: ok 39614
190: ok 39615
190: ok 39616
190: ok 39617
190: ok 39618
190: ok 39619
190: ok 39620
190: ok 39621
190: ok 39622
190: ok 39623
190: ok 39624
190: ok 39625
190: ok 39626
190: ok 39627
190: ok 39628
190: ok 39629
190: ok 39630
190: ok 39631
190: ok 39632
190: ok 39633
190: ok 39634
190: ok 39635
190: ok 39636
190: ok 39637
190: ok 39638
190: ok 39639
190: ok 39640
190: ok 39641
190: ok 39642
190: ok 39643
190: ok 39644
190: ok 39645
190: ok 39646
190: ok 39647
190: ok 39648
190: ok 39649
190: ok 39650
190: ok 39651
190: ok 39652
190: ok 39653
190: ok 39654
190: ok 39655
190: ok 39656
190: ok 39657
190: ok 39658
190: ok 39659
190: ok 39660
190: ok 39661
190: ok 39662
190: ok 39663
190: ok 39664
190: ok 39665
190: ok 39666
190: ok 39667
190: ok 39668
190: ok 39669
190: ok 39670
190: ok 39671
190: ok 39672
190: ok 39673
190: ok 39674
190: ok 39675
190: ok 39676
190: ok 39677
190: ok 39678
190: ok 39679
190: ok 39680
190: ok 39681
190: ok 39682
190: ok 39683
190: ok 39684
190: ok 39685
190: ok 39686
190: ok 39687
190: ok 39688
190: ok 39689
190: ok 39690
190: ok 39691
190: ok 39692
190: ok 39693
190: ok 39694
190: ok 39695
190: ok 39696
190: ok 39697
190: ok 39698
190: ok 39699
190: ok 39700
190: ok 39701
190: ok 39702
190: ok 39703
190: ok 39704
190: ok 39705
190: ok 39706
190: ok 39707
190: ok 39708
190: ok 39709
190: ok 39710
190: ok 39711
190: ok 39712
190: ok 39713
190: ok 39714
190: ok 39715
190: ok 39716
190: ok 39717
190: ok 39718
190: ok 39719
190: ok 39720
190: ok 39721
190: ok 39722
190: ok 39723
190: ok 39724
190: ok 39725
190: ok 39726
190: ok 39727
190: ok 39728
190: ok 39729
190: ok 39730
190: ok 39731
190: ok 39732
190: ok 39733
190: ok 39734
190: ok 39735
190: ok 39736
190: ok 39737
190: ok 39738
190: ok 39739
190: ok 39740
190: ok 39741
190: ok 39742
190: ok 39743
190: ok 39744
190: ok 39745
190: ok 39746
190: ok 39747
190: ok 39748
190: ok 39749
190: ok 39750
190: ok 39751
190: ok 39752
190: ok 39753
190: ok 39754
190: ok 39755
190: ok 39756
190: ok 39757
190: ok 39758
190: ok 39759
190: ok 39760
190: ok 39761
190: ok 39762
190: ok 39763
190: ok 39764
190: ok 39765
190: ok 39766
190: ok 39767
190: ok 39768
190: ok 39769
190: ok 39770
190: ok 39771
190: ok 39772
190: ok 39773
190: ok 39774
190: ok 39775
190: ok 39776
190: ok 39777
190: ok 39778
190: ok 39779
190: ok 39780
190: ok 39781
190: ok 39782
190: ok 39783
190: ok 39784
190: ok 39785
190: ok 39786
190: ok 39787
190: ok 39788
190: ok 39789
190: ok 39790
190: ok 39791
190: ok 39792
190: ok 39793
190: ok 39794
190: ok 39795
190: ok 39796
190: ok 39797
190: ok 39798
190: ok 39799
190: ok 39800
190: ok 39801
190: ok 39802
190: ok 39803
190: ok 39804
190: ok 39805
190: ok 39806
190: ok 39807
190: ok 39808
190: ok 39809
190: ok 39810
190: ok 39811
190: ok 39812
190: ok 39813
190: ok 39814
190: ok 39815
190: ok 39816
190: ok 39817
190: ok 39818
190: ok 39819
190: ok 39820
190: ok 39821
190: ok 39822
190: ok 39823
190: ok 39824
190: ok 39825
190: ok 39826
190: ok 39827
190: ok 39828
190: ok 39829
190: ok 39830
190: ok 39831
190: ok 39832
190: ok 39833
190: ok 39834
190: ok 39835
190: ok 39836
190: ok 39837
190: ok 39838
190: ok 39839
190: ok 39840
190: ok 39841
190: ok 39842
190: ok 39843
190: ok 39844
190: ok 39845
190: ok 39846
190: ok 39847
190: ok 39848
190: ok 39849
190: ok 39850
190: ok 39851
190: ok 39852
190: ok 39853
190: ok 39854
190: ok 39855
190: ok 39856
190: ok 39857
190: ok 39858
190: ok 39859
190: ok 39860
190: ok 39861
190: ok 39862
190: ok 39863
190: ok 39864
190: ok 39865
190: ok 39866
190: ok 39867
190: ok 39868
190: ok 39869
190: ok 39870
190: ok 39871
190: ok 39872
190: ok 39873
190: ok 39874
190: ok 39875
190: ok 39876
190: ok 39877
190: ok 39878
190: ok 39879
190: ok 39880
190: ok 39881
190: ok 39882
190: ok 39883
190: ok 39884
190: ok 39885
190: ok 39886
190: ok 39887
190: ok 39888
190: ok 39889
190: ok 39890
190: ok 39891
190: ok 39892
190: ok 39893
190: ok 39894
190: ok 39895
190: ok 39896
190: ok 39897
190: ok 39898
190: ok 39899
190: ok 39900
190: ok 39901
190: ok 39902
190: ok 39903
190: ok 39904
190: ok 39905
190: ok 39906
190: ok 39907
190: ok 39908
190: ok 39909
190: ok 39910
190: ok 39911
190: ok 39912
190: ok 39913
190: ok 39914
190: ok 39915
190: ok 39916
190: ok 39917
190: ok 39918
190: ok 39919
190: ok 39920
190: ok 39921
190: ok 39922
190: ok 39923
190: ok 39924
190: ok 39925
190: ok 39926
190: ok 39927
190: ok 39928
190: ok 39929
190: ok 39930
190: ok 39931
190: ok 39932
190: ok 39933
190: ok 39934
190: ok 39935
190: ok 39936
190: ok 39937
190: ok 39938
190: ok 39939
190: ok 39940
190: ok 39941
190: ok 39942
190: ok 39943
190: ok 39944
190: ok 39945
190: ok 39946
190: ok 39947
190: ok 39948
190: ok 39949
190: ok 39950
190: ok 39951
190: ok 39952
190: ok 39953
190: ok 39954
190: ok 39955
190: ok 39956
190: ok 39957
190: ok 39958
190: ok 39959
190: ok 39960
190: ok 39961
190: ok 39962
190: ok 39963
190: ok 39964
190: ok 39965
190: ok 39966
190: ok 39967
190: ok 39968
190: ok 39969
190: ok 39970
190: ok 39971
190: ok 39972
190: ok 39973
190: ok 39974
190: ok 39975
190: ok 39976
190: ok 39977
190: ok 39978
190: ok 39979
190: ok 39980
190: ok 39981
190: ok 39982
190: ok 39983
190: ok 39984
190: ok 39985
190: ok 39986
190: ok 39987
190: ok 39988
190: ok 39989
190: ok 39990
190: ok 39991
190: ok 39992
190: ok 39993
190: ok 39994
190: ok 39995
190: ok 39996
190: ok 39997
190: ok 39998
190: ok 39999
190: ok 40000
190: ok 40001
190: ok 40002
190: ok 40003
190: ok 40004
190: ok 40005
190: ok 40006
190: ok 40007
190: ok 40008
190: ok 40009
190: ok 40010
190: ok 40011
190: ok 40012
190: ok 40013
190: ok 40014
190: ok 40015
190: ok 40016
190: ok 40017
190: ok 40018
190: ok 40019
190: ok 40020
190: ok 40021
190: ok 40022
190: ok 40023
190: ok 40024
190: ok 40025
190: ok 40026
190: ok 40027
190: ok 40028
190: ok 40029
190: ok 40030
190: ok 40031
190: ok 40032
190: ok 40033
190: ok 40034
190: ok 40035
190: ok 40036
190: ok 40037
190: ok 40038
190: ok 40039
190: ok 40040
190: ok 40041
190: ok 40042
190: ok 40043
190: ok 40044
190: ok 40045
190: ok 40046
190: ok 40047
190: ok 40048
190: ok 40049
190: ok 40050
190: ok 40051
190: ok 40052
190: ok 40053
190: ok 40054
190: ok 40055
190: ok 40056
190: ok 40057
190: ok 40058
190: ok 40059
190: ok 40060
190: ok 40061
190: ok 40062
190: ok 40063
190: ok 40064
190: ok 40065
190: ok 40066
190: ok 40067
190: ok 40068
190: ok 40069
190: ok 40070
190: ok 40071
190: ok 40072
190: ok 40073
190: ok 40074
190: ok 40075
190: ok 40076
190: ok 40077
190: ok 40078
190: ok 40079
190: ok 40080
190: ok 40081
190: ok 40082
190: ok 40083
190: ok 40084
190: ok 40085
190: ok 40086
190: ok 40087
190: ok 40088
190: ok 40089
190: ok 40090
190: ok 40091
190: ok 40092
190: ok 40093
190: ok 40094
190: ok 40095
190: ok 40096
190: ok 40097
190: ok 40098
190: ok 40099
190: ok 40100
190: ok 40101
190: ok 40102
190: ok 40103
190: ok 40104
190: ok 40105
190: ok 40106
190: ok 40107
190: ok 40108
190: ok 40109
190: ok 40110
190: ok 40111
190: ok 40112
190: ok 40113
190: ok 40114
190: ok 40115
190: ok 40116
190: ok 40117
190: ok 40118
190: ok 40119
190: ok 40120
190: ok 40121
190: ok 40122
190: ok 40123
190: ok 40124
190: ok 40125
190: ok 40126
190: ok 40127
190: ok 40128
190: ok 40129
190: ok 40130
190: ok 40131
190: ok 40132
190: ok 40133
190: ok 40134
190: ok 40135
190: ok 40136
190: ok 40137
190: ok 40138
190: ok 40139
190: ok 40140
190: ok 40141
190: ok 40142
190: ok 40143
190: ok 40144
190: ok 40145
190: ok 40146
190: ok 40147
190: ok 40148
190: ok 40149
190: ok 40150
190: ok 40151
190: ok 40152
190: ok 40153
190: ok 40154
190: ok 40155
190: ok 40156
190: ok 40157
190: ok 40158
190: ok 40159
190: ok 40160
190: ok 40161
190: ok 40162
190: ok 40163
190: ok 40164
190: ok 40165
190: ok 40166
190: ok 40167
190: ok 40168
190: ok 40169
190: ok 40170
190: ok 40171
190: ok 40172
190: ok 40173
190: ok 40174
190: ok 40175
190: ok 40176
190: ok 40177
190: ok 40178
190: ok 40179
190: ok 40180
190: ok 40181
190: ok 40182
190: ok 40183
190: ok 40184
190: ok 40185
190: ok 40186
190: ok 40187
190: ok 40188
190: ok 40189
190: ok 40190
190: ok 40191
190: ok 40192
190: ok 40193
190: ok 40194
190: ok 40195
190: ok 40196
190: ok 40197
190: ok 40198
190: ok 40199
190: ok 40200
190: ok 40201
190: ok 40202
190: ok 40203
190: ok 40204
190: ok 40205
190: ok 40206
190: ok 40207
190: ok 40208
190: ok 40209
190: ok 40210
190: ok 40211
190: ok 40212
190: ok 40213
190: ok 40214
190: ok 40215
190: ok 40216
190: ok 40217
190: ok 40218
190: ok 40219
190: ok 40220
190: ok 40221
190: ok 40222
190: ok 40223
190: ok 40224
190: ok 40225
190: ok 40226
190: ok 40227
190: ok 40228
190: ok 40229
190: ok 40230
190: ok 40231
190: ok 40232
190: ok 40233
190: ok 40234
190: ok 40235
190: ok 40236
190: ok 40237
190: ok 40238
190: ok 40239
190: ok 40240
190: ok 40241
190: ok 40242
190: ok 40243
190: ok 40244
190: ok 40245
190: ok 40246
190: ok 40247
190: ok 40248
190: ok 40249
190: ok 40250
190: ok 40251
190: ok 40252
190: ok 40253
190: ok 40254
190: ok 40255
190: ok 40256
190: ok 40257
190: ok 40258
190: ok 40259
190: ok 40260
190: ok 40261
190: ok 40262
190: ok 40263
190: ok 40264
190: ok 40265
190: ok 40266
190: ok 40267
190: ok 40268
190: ok 40269
190: ok 40270
190: ok 40271
190: ok 40272
190: ok 40273
190: ok 40274
190: ok 40275
190: ok 40276
190: ok 40277
190: ok 40278
190: ok 40279
190: ok 40280
190: ok 40281
190: ok 40282
190: ok 40283
190: ok 40284
190: ok 40285
190: ok 40286
190: ok 40287
190: ok 40288
190: ok 40289
190: ok 40290
190: ok 40291
190: ok 40292
190: ok 40293
190: ok 40294
190: ok 40295
190: ok 40296
190: ok 40297
190: ok 40298
190: ok 40299
190: ok 40300
190: ok 40301
190: ok 40302
190: ok 40303
190: ok 40304
190: ok 40305
190: ok 40306
190: ok 40307
190: ok 40308
190: ok 40309
190: ok 40310
190: ok 40311
190: ok 40312
190: ok 40313
190: ok 40314
190: ok 40315
190: ok 40316
190: ok 40317
190: ok 40318
190: ok 40319
190: ok 40320
190: ok 40321
190: ok 40322
190: ok 40323
190: ok 40324
190: ok 40325
190: ok 40326
190: ok 40327
190: ok 40328
190: ok 40329
190: ok 40330
190: ok 40331
190: ok 40332
190: ok 40333
190: ok 40334
190: ok 40335
190: ok 40336
190: ok 40337
190: ok 40338
190: ok 40339
190: ok 40340
190: ok 40341
190: ok 40342
190: ok 40343
190: ok 40344
190: ok 40345
190: ok 40346
190: ok 40347
190: ok 40348
190: ok 40349
190: ok 40350
190: ok 40351
190: ok 40352
190: ok 40353
190: ok 40354
190: ok 40355
190: ok 40356
190: ok 40357
190: ok 40358
190: ok 40359
190: ok 40360
190: ok 40361
190: ok 40362
190: ok 40363
190: ok 40364
190: ok 40365
190: ok 40366
190: ok 40367
190: ok 40368
190: ok 40369
190: ok 40370
190: ok 40371
190: ok 40372
190: ok 40373
190: ok 40374
190: ok 40375
190: ok 40376
190: ok 40377
190: ok 40378
190: ok 40379
190: ok 40380
190: ok 40381
190: ok 40382
190: ok 40383
190: ok 40384
190: ok 40385
190: ok 40386
190: ok 40387
190: ok 40388
190: ok 40389
190: ok 40390
190: ok 40391
190: ok 40392
190: ok 40393
190: ok 40394
190: ok 40395
190: ok 40396
190: ok 40397
190: ok 40398
190: ok 40399
190: ok 40400
190: ok 40401
190: ok 40402
190: ok 40403
190: ok 40404
190: ok 40405
190: ok 40406
190: ok 40407
190: ok 40408
190: ok 40409
190: ok 40410
190: ok 40411
190: ok 40412
190: ok 40413
190: ok 40414
190: ok 40415
190: ok 40416
190: ok 40417
190: ok 40418
190: ok 40419
190: ok 40420
190: ok 40421
190: ok 40422
190: ok 40423
190: ok 40424
190: ok 40425
190: ok 40426
190: ok 40427
190: ok 40428
190: ok 40429
190: ok 40430
190: ok 40431
190: ok 40432
190: ok 40433
190: ok 40434
190: ok 40435
190: ok 40436
190: ok 40437
190: ok 40438
190: ok 40439
190: ok 40440
190: ok 40441
190: ok 40442
190: ok 40443
190: ok 40444
190: ok 40445
190: ok 40446
190: ok 40447
190: ok 40448
190: ok 40449
190: ok 40450
190: ok 40451
190: ok 40452
190: ok 40453
190: ok 40454
190: ok 40455
190: ok 40456
190: ok 40457
190: ok 40458
190: ok 40459
190: ok 40460
190: ok 40461
190: ok 40462
190: ok 40463
190: ok 40464
190: ok 40465
190: ok 40466
190: ok 40467
190: ok 40468
190: ok 40469
190: ok 40470
190: ok 40471
190: ok 40472
190: ok 40473
190: ok 40474
190: ok 40475
190: ok 40476
190: ok 40477
190: ok 40478
190: ok 40479
190: ok 40480
190: ok 40481
190: ok 40482
190: ok 40483
190: ok 40484
190: ok 40485
190: ok 40486
190: ok 40487
190: ok 40488
190: ok 40489
190: ok 40490
190: ok 40491
190: ok 40492
190: ok 40493
190: ok 40494
190: ok 40495
190: ok 40496
190: ok 40497
190: ok 40498
190: ok 40499
190: ok 40500
190: ok 40501
190: ok 40502
190: ok 40503
190: ok 40504
190: ok 40505
190: ok 40506
190: ok 40507
190: ok 40508
190: ok 40509
190: ok 40510
190: ok 40511
190: ok 40512
190: ok 40513
190: ok 40514
190: ok 40515
190: ok 40516
190: ok 40517
190: ok 40518
190: ok 40519
190: ok 40520
190: ok 40521
190: ok 40522
190: ok 40523
190: ok 40524
190: ok 40525
190: ok 40526
190: ok 40527
190: ok 40528
190: ok 40529
190: ok 40530
190: ok 40531
190: ok 40532
190: ok 40533
190: ok 40534
190: ok 40535
190: ok 40536
190: ok 40537
190: ok 40538
190: ok 40539
190: ok 40540
190: ok 40541
190: ok 40542
190: ok 40543
190: ok 40544
190: ok 40545
190: ok 40546
190: ok 40547
190: ok 40548
190: ok 40549
190: ok 40550
190: ok 40551
190: ok 40552
190: ok 40553
190: ok 40554
190: ok 40555
190: ok 40556
190: ok 40557
190: ok 40558
190: ok 40559
190: ok 40560
190: ok 40561
190: ok 40562
190: ok 40563
190: ok 40564
190: ok 40565
190: ok 40566
190: ok 40567
190: ok 40568
190: ok 40569
190: ok 40570
190: ok 40571
190: ok 40572
190: ok 40573
190: ok 40574
190: ok 40575
190: ok 40576
190: ok 40577
190: ok 40578
190: ok 40579
190: ok 40580
190: ok 40581
190: ok 40582
190: ok 40583
190: ok 40584
190: ok 40585
190: ok 40586
190: ok 40587
190: ok 40588
190: ok 40589
190: ok 40590
190: ok 40591
190: ok 40592
190: ok 40593
190: ok 40594
190: ok 40595
190: ok 40596
190: ok 40597
190: ok 40598
190: ok 40599
190: ok 40600
190: ok 40601
190: ok 40602
190: ok 40603
190: ok 40604
190: ok 40605
190: ok 40606
190: ok 40607
190: ok 40608
190: ok 40609
190: ok 40610
190: ok 40611
190: ok 40612
190: ok 40613
190: ok 40614
190: ok 40615
190: ok 40616
190: ok 40617
190: ok 40618
190: ok 40619
190: ok 40620
190: ok 40621
190: ok 40622
190: ok 40623
190: ok 40624
190: ok 40625
190: ok 40626
190: ok 40627
190: ok 40628
190: ok 40629
190: ok 40630
190: ok 40631
190: ok 40632
190: ok 40633
190: ok 40634
190: ok 40635
190: ok 40636
190: ok 40637
190: ok 40638
190: ok 40639
190: ok 40640
190: ok 40641
190: ok 40642
190: ok 40643
190: ok 40644
190: ok 40645
190: ok 40646
190: ok 40647
190: ok 40648
190: ok 40649
190: ok 40650
190: ok 40651
190: ok 40652
190: ok 40653
190: ok 40654
190: ok 40655
190: ok 40656
190: ok 40657
190: ok 40658
190: ok 40659
190: ok 40660
190: ok 40661
190: ok 40662
190: ok 40663
190: ok 40664
190: ok 40665
190: ok 40666
190: ok 40667
190: ok 40668
190: ok 40669
190: ok 40670
190: ok 40671
190: ok 40672
190: ok 40673
190: ok 40674
190: ok 40675
190: ok 40676
190: ok 40677
190: ok 40678
190: ok 40679
190: ok 40680
190: ok 40681
190: ok 40682
190: ok 40683
190: ok 40684
190: ok 40685
190: ok 40686
190: ok 40687
190: ok 40688
190: ok 40689
190: ok 40690
190: ok 40691
190: ok 40692
190: ok 40693
190: ok 40694
190: ok 40695
190: ok 40696
190: ok 40697
190: ok 40698
190: ok 40699
190: ok 40700
190: ok 40701
190: ok 40702
190: ok 40703
190: ok 40704
190: ok 40705
190: ok 40706
190: ok 40707
190: ok 40708
190: ok 40709
190: ok 40710
190: ok 40711
190: ok 40712
190: ok 40713
190: ok 40714
190: ok 40715
190: ok 40716
190: ok 40717
190: ok 40718
190: ok 40719
190: ok 40720
190: ok 40721
190: ok 40722
190: ok 40723
190: ok 40724
190: ok 40725
190: ok 40726
190: ok 40727
190: ok 40728
190: ok 40729
190: ok 40730
190: ok 40731
190: ok 40732
190: ok 40733
190: ok 40734
190: ok 40735
190: ok 40736
190: ok 40737
190: ok 40738
190: ok 40739
190: ok 40740
190: ok 40741
190: ok 40742
190: ok 40743
190: ok 40744
190: ok 40745
190: ok 40746
190: ok 40747
190: ok 40748
190: ok 40749
190: ok 40750
190: ok 40751
190: ok 40752
190: ok 40753
190: ok 40754
190: ok 40755
190: ok 40756
190: ok 40757
190: ok 40758
190: ok 40759
190: ok 40760
190: ok 40761
190: ok 40762
190: ok 40763
190: ok 40764
190: ok 40765
190: ok 40766
190: ok 40767
190: ok 40768
190: ok 40769
190: ok 40770
190: ok 40771
190: ok 40772
190: ok 40773
190: ok 40774
190: ok 40775
190: ok 40776
190: ok 40777
190: ok 40778
190: ok 40779
190: ok 40780
190: ok 40781
190: ok 40782
190: ok 40783
190: ok 40784
190: ok 40785
190: ok 40786
190: ok 40787
190: ok 40788
190: ok 40789
190: ok 40790
190: ok 40791
190: ok 40792
190: ok 40793
190: ok 40794
190: ok 40795
190: ok 40796
190: ok 40797
190: ok 40798
190: ok 40799
190: ok 40800
190: ok 40801
190: ok 40802
190: ok 40803
190: ok 40804
190: ok 40805
190: ok 40806
190: ok 40807
190: ok 40808
190: ok 40809
190: ok 40810
190: ok 40811
190: ok 40812
190: ok 40813
190: ok 40814
190: ok 40815
190: ok 40816
190: ok 40817
190: ok 40818
190: ok 40819
190: ok 40820
190: ok 40821
190: ok 40822
190: ok 40823
190: ok 40824
190: ok 40825
190: ok 40826
190: ok 40827
190: ok 40828
190: ok 40829
190: ok 40830
190: ok 40831
190: ok 40832
190: ok 40833
190: ok 40834
190: ok 40835
190: ok 40836
190: ok 40837
190: ok 40838
190: ok 40839
190: ok 40840
190: ok 40841
190: ok 40842
190: ok 40843
190: ok 40844
190: ok 40845
190: ok 40846
190: ok 40847
190: ok 40848
190: ok 40849
190: ok 40850
190: ok 40851
190: ok 40852
190: ok 40853
190: ok 40854
190: ok 40855
190: ok 40856
190: ok 40857
190: ok 40858
190: ok 40859
190: ok 40860
190: ok 40861
190: ok 40862
190: ok 40863
190: ok 40864
190: ok 40865
190: ok 40866
190: ok 40867
190: ok 40868
190: ok 40869
190: ok 40870
190: ok 40871
190: ok 40872
190: ok 40873
190: ok 40874
190: ok 40875
190: ok 40876
190: ok 40877
190: ok 40878
190: ok 40879
190: ok 40880
190: ok 40881
190: ok 40882
190: ok 40883
190: ok 40884
190: ok 40885
190: ok 40886
190: ok 40887
190: ok 40888
190: ok 40889
190: ok 40890
190: ok 40891
190: ok 40892
190: ok 40893
190: ok 40894
190: ok 40895
190: ok 40896
190: ok 40897
190: ok 40898
190: ok 40899
190: ok 40900
190: ok 40901
190: ok 40902
190: ok 40903
190: ok 40904
190: ok 40905
190: ok 40906
190: ok 40907
190: ok 40908
190: ok 40909
190: ok 40910
190: ok 40911
190: ok 40912
190: ok 40913
190: ok 40914
190: ok 40915
190: ok 40916
190: ok 40917
190: ok 40918
190: ok 40919
190: ok 40920
190: ok 40921
190: ok 40922
190: ok 40923
190: ok 40924
190: ok 40925
190: ok 40926
190: ok 40927
190: ok 40928
190: ok 40929
190: ok 40930
190: ok 40931
190: ok 40932
190: ok 40933
190: ok 40934
190: ok 40935
190: ok 40936
190: ok 40937
190: ok 40938
190: ok 40939
190: ok 40940
190: ok 40941
190: ok 40942
190: ok 40943
190: ok 40944
190: ok 40945
190: ok 40946
190: ok 40947
190: ok 40948
190: ok 40949
190: ok 40950
190: ok 40951
190: ok 40952
190: ok 40953
190: ok 40954
190: ok 40955
190: ok 40956
190: ok 40957
190: ok 40958
190: ok 40959
190: ok 40960
190: ok 40961
190: ok 40962
190: ok 40963
190: ok 40964
190: ok 40965
190: ok 40966
190: ok 40967
190: ok 40968
190: ok 40969
190: ok 40970
190: ok 40971
190: ok 40972
190: ok 40973
190: ok 40974
190: ok 40975
190: ok 40976
190: ok 40977
190: ok 40978
190: ok 40979
190: ok 40980
190: ok 40981
190: ok 40982
190: ok 40983
190: ok 40984
190: ok 40985
190: ok 40986
190: ok 40987
190: ok 40988
190: ok 40989
190: ok 40990
190: ok 40991
190: ok 40992
190: ok 40993
190: ok 40994
190: ok 40995
190: ok 40996
190: ok 40997
190: ok 40998
190: ok 40999
190: ok 41000
190: ok 41001
190: ok 41002
190: ok 41003
190: ok 41004
190: ok 41005
190: ok 41006
190: ok 41007
190: ok 41008
190: ok 41009
190: ok 41010
190: ok 41011
190: ok 41012
190: ok 41013
190: ok 41014
190: ok 41015
190: ok 41016
190: ok 41017
190: ok 41018
190: ok 41019
190: ok 41020
190: ok 41021
190: ok 41022
190: ok 41023
190: ok 41024
190: ok 41025
190: ok 41026
190: ok 41027
190: ok 41028
190: ok 41029
190: ok 41030
190: ok 41031
190: ok 41032
190: ok 41033
190: ok 41034
190: ok 41035
190: ok 41036
190: ok 41037
190: ok 41038
190: ok 41039
190: ok 41040
190: ok 41041
190: ok 41042
190: ok 41043
190: ok 41044
190: ok 41045
190: ok 41046
190: ok 41047
190: ok 41048
190: ok 41049
190: ok 41050
190: ok 41051
190: ok 41052
190: ok 41053
190: ok 41054
190: ok 41055
190: ok 41056
190: ok 41057
190: ok 41058
190: ok 41059
190: ok 41060
190: ok 41061
190: ok 41062
190: ok 41063
190: ok 41064
190: ok 41065
190: ok 41066
190: ok 41067
190: ok 41068
190: ok 41069
190: ok 41070
190: ok 41071
190: ok 41072
190: ok 41073
190: ok 41074
190: ok 41075
190: ok 41076
190: ok 41077
190: ok 41078
190: ok 41079
190: ok 41080
190: ok 41081
190: ok 41082
190: ok 41083
190: ok 41084
190: ok 41085
190: ok 41086
190: ok 41087
190: ok 41088
190: ok 41089
190: ok 41090
190: ok 41091
190: ok 41092
190: ok 41093
190: ok 41094
190: ok 41095
190: ok 41096
190: ok 41097
190: ok 41098
190: ok 41099
190: ok 41100
190: ok 41101
190: ok 41102
190: ok 41103
190: ok 41104
190: ok 41105
190: ok 41106
190: ok 41107
190: ok 41108
190: ok 41109
190: ok 41110
190: ok 41111
190: ok 41112
190: ok 41113
190: ok 41114
190: ok 41115
190: ok 41116
190: ok 41117
190: ok 41118
190: ok 41119
190: ok 41120
190: ok 41121
190: ok 41122
190: ok 41123
190: ok 41124
190: ok 41125
190: ok 41126
190: ok 41127
190: ok 41128
190: ok 41129
190: ok 41130
190: ok 41131
190: ok 41132
190: ok 41133
190: ok 41134
190: ok 41135
190: ok 41136
190: ok 41137
190: ok 41138
190: ok 41139
190: ok 41140
190: ok 41141
190: ok 41142
190: ok 41143
190: ok 41144
190: ok 41145
190: ok 41146
190: ok 41147
190: ok 41148
190: ok 41149
190: ok 41150
190: ok 41151
190: ok 41152
190: ok 41153
190: ok 41154
190: ok 41155
190: ok 41156
190: ok 41157
190: ok 41158
190: ok 41159
190: ok 41160
190: ok 41161
190: ok 41162
190: ok 41163
190: ok 41164
190: ok 41165
190: ok 41166
190: ok 41167
190: ok 41168
190: ok 41169
190: ok 41170
190: ok 41171
190: ok 41172
190: ok 41173
190: ok 41174
190: ok 41175
190: ok 41176
190: ok 41177
190: ok 41178
190: ok 41179
190: ok 41180
190: ok 41181
190: ok 41182
190: ok 41183
190: ok 41184
190: ok 41185
190: ok 41186
190: ok 41187
190: ok 41188
190: ok 41189
190: ok 41190
190: ok 41191
190: ok 41192
190: ok 41193
190: ok 41194
190: ok 41195
190: ok 41196
190: ok 41197
190: ok 41198
190: ok 41199
190: ok 41200
190: ok 41201
190: ok 41202
190: ok 41203
190: ok 41204
190: ok 41205
190: ok 41206
190: ok 41207
190: ok 41208
190: ok 41209
190: ok 41210
190: ok 41211
190: ok 41212
190: ok 41213
190: ok 41214
190: ok 41215
190: ok 41216
190: ok 41217
190: ok 41218
190: ok 41219
190: ok 41220
190: ok 41221
190: ok 41222
190: ok 41223
190: ok 41224
190: ok 41225
190: ok 41226
190: ok 41227
190: ok 41228
190: ok 41229
190: ok 41230
190: ok 41231
190: ok 41232
190: ok 41233
190: ok 41234
190: ok 41235
190: ok 41236
190: ok 41237
190: ok 41238
190: ok 41239
190: ok 41240
190: ok 41241
190: ok 41242
190: ok 41243
190: ok 41244
190: ok 41245
190: ok 41246
190: ok 41247
190: ok 41248
190: ok 41249
190: ok 41250
190: ok 41251
190: ok 41252
190: ok 41253
190: ok 41254
190: ok 41255
190: ok 41256
190: ok 41257
190: ok 41258
190: ok 41259
190: ok 41260
190: ok 41261
190: ok 41262
190: ok 41263
190: ok 41264
190: ok 41265
190: ok 41266
190: ok 41267
190: ok 41268
190: ok 41269
190: ok 41270
190: ok 41271
190: ok 41272
190: ok 41273
190: ok 41274
190: ok 41275
190: ok 41276
190: ok 41277
190: ok 41278
190: ok 41279
190: ok 41280
190: ok 41281
190: ok 41282
190: ok 41283
190: ok 41284
190: ok 41285
190: ok 41286
190: ok 41287
190: ok 41288
190: ok 41289
190: ok 41290
190: ok 41291
190: ok 41292
190: ok 41293
190: ok 41294
190: ok 41295
190: ok 41296
190: ok 41297
190: ok 41298
190: ok 41299
190: ok 41300
190: ok 41301
190: ok 41302
190: ok 41303
190: ok 41304
190: ok 41305
190: ok 41306
190: ok 41307
190: ok 41308
190: ok 41309
190: ok 41310
190: ok 41311
190: ok 41312
190: ok 41313
190: ok 41314
190: ok 41315
190: ok 41316
190: ok 41317
190: ok 41318
190: ok 41319
190: ok 41320
190: ok 41321
190: ok 41322
190: ok 41323
190: ok 41324
190: ok 41325
190: ok 41326
190: ok 41327
190: ok 41328
190: ok 41329
190: ok 41330
190: ok 41331
190: ok 41332
190: ok 41333
190: ok 41334
190: ok 41335
190: ok 41336
190: ok 41337
190: ok 41338
190: ok 41339
190: ok 41340
190: ok 41341
190: ok 41342
190: ok 41343
190: ok 41344
190: ok 41345
190: ok 41346
190: ok 41347
190: ok 41348
190: ok 41349
190: ok 41350
190: ok 41351
190: ok 41352
190: ok 41353
190: ok 41354
190: ok 41355
190: ok 41356
190: ok 41357
190: ok 41358
190: ok 41359
190: ok 41360
190: ok 41361
190: ok 41362
190: ok 41363
190: ok 41364
190: ok 41365
190: ok 41366
190: ok 41367
190: ok 41368
190: ok 41369
190: ok 41370
190: ok 41371
190: ok 41372
190: ok 41373
190: ok 41374
190: ok 41375
190: ok 41376
190: ok 41377
190: ok 41378
190: ok 41379
190: ok 41380
190: ok 41381
190: ok 41382
190: ok 41383
190: ok 41384
190: ok 41385
190: ok 41386
190: ok 41387
190: ok 41388
190: ok 41389
190: ok 41390
190: ok 41391
190: ok 41392
190: ok 41393
190: ok 41394
190: ok 41395
190: ok 41396
190: ok 41397
190: ok 41398
190: ok 41399
190: ok 41400
190: ok 41401
190: ok 41402
190: ok 41403
190: ok 41404
190: ok 41405
190: ok 41406
190: ok 41407
190: ok 41408
190: ok 41409
190: ok 41410
190: ok 41411
190: ok 41412
190: ok 41413
190: ok 41414
190: ok 41415
190: ok 41416
190: ok 41417
190: ok 41418
190: ok 41419
190: ok 41420
190: ok 41421
190: ok 41422
190: ok 41423
190: ok 41424
190: ok 41425
190: ok 41426
190: ok 41427
190: ok 41428
190: ok 41429
190: ok 41430
190: ok 41431
190: ok 41432
190: ok 41433
190: ok 41434
190: ok 41435
190: ok 41436
190: ok 41437
190: ok 41438
190: ok 41439
190: ok 41440
190: ok 41441
190: ok 41442
190: ok 41443
190: ok 41444
190: ok 41445
190: ok 41446
190: ok 41447
190: ok 41448
190: ok 41449
190: ok 41450
190: ok 41451
190: ok 41452
190: ok 41453
190: ok 41454
190: ok 41455
190: ok 41456
190: ok 41457
190: ok 41458
190: ok 41459
190: ok 41460
190: ok 41461
190: ok 41462
190: ok 41463
190: ok 41464
190: ok 41465
190: ok 41466
190: ok 41467
190: ok 41468
190: ok 41469
190: ok 41470
190: ok 41471
190: ok 41472
190: ok 41473
190: ok 41474
190: ok 41475
190: ok 41476
190: ok 41477
190: ok 41478
190: ok 41479
190: ok 41480
190: ok 41481
190: ok 41482
190: ok 41483
190: ok 41484
190: ok 41485
190: ok 41486
190: ok 41487
190: ok 41488
190: ok 41489
190: ok 41490
190: ok 41491
190: ok 41492
190: ok 41493
190: ok 41494
190: ok 41495
190: ok 41496
190: ok 41497
190: ok 41498
190: ok 41499
190: ok 41500
190: ok 41501
190: ok 41502
190: ok 41503
190: ok 41504
190: ok 41505
190: ok 41506
190: ok 41507
190: ok 41508
190: ok 41509
190: ok 41510
190: ok 41511
190: ok 41512
190: ok 41513
190: ok 41514
190: ok 41515
190: ok 41516
190: ok 41517
190: ok 41518
190: ok 41519
190: ok 41520
190: ok 41521
190: ok 41522
190: ok 41523
190: ok 41524
190: ok 41525
190: ok 41526
190: ok 41527
190: ok 41528
190: ok 41529
190: ok 41530
190: ok 41531
190: ok 41532
190: ok 41533
190: ok 41534
190: ok 41535
190: ok 41536
190: ok 41537
190: ok 41538
190: ok 41539
190: ok 41540
190: ok 41541
190: ok 41542
190: ok 41543
190: ok 41544
190: ok 41545
190: ok 41546
190: ok 41547
190: ok 41548
190: ok 41549
190: ok 41550
190: ok 41551
190: ok 41552
190: ok 41553
190: ok 41554
190: ok 41555
190: ok 41556
190: ok 41557
190: ok 41558
190: ok 41559
190: ok 41560
190: ok 41561
190: ok 41562
190: ok 41563
190: ok 41564
190: ok 41565
190: ok 41566
190: ok 41567
190: ok 41568
190: ok 41569
190: ok 41570
190: ok 41571
190: ok 41572
190: ok 41573
190: ok 41574
190: ok 41575
190: ok 41576
190: ok 41577
190: ok 41578
190: ok 41579
190: ok 41580
190: ok 41581
190: ok 41582
190: ok 41583
190: ok 41584
190: ok 41585
190: ok 41586
190: ok 41587
190: ok 41588
190: ok 41589
190: ok 41590
190: ok 41591
190: ok 41592
190: ok 41593
190: ok 41594
190: ok 41595
190: ok 41596
190: ok 41597
190: ok 41598
190: ok 41599
190: ok 41600
190: ok 41601
190: ok 41602
190: ok 41603
190: ok 41604
190: ok 41605
190: ok 41606
190: ok 41607
190: ok 41608
190: ok 41609
190: ok 41610
190: ok 41611
190: ok 41612
190: ok 41613
190: ok 41614
190: ok 41615
190: ok 41616
190: ok 41617
190: ok 41618
190: ok 41619
190: ok 41620
190: ok 41621
190: ok 41622
190: ok 41623
190: ok 41624
190: ok 41625
190: ok 41626
190: ok 41627
190: ok 41628
190: ok 41629
190: ok 41630
190: ok 41631
190: ok 41632
190: ok 41633
190: ok 41634
190: ok 41635
190: ok 41636
190: ok 41637
190: ok 41638
190: ok 41639
190: ok 41640
190: ok 41641
190: ok 41642
190: ok 41643
190: ok 41644
190: ok 41645
190: ok 41646
190: ok 41647
190: ok 41648
190: ok 41649
190: ok 41650
190: ok 41651
190: ok 41652
190: ok 41653
190: ok 41654
190: ok 41655
190: ok 41656
190: ok 41657
190: ok 41658
190: ok 41659
190: ok 41660
190: ok 41661
190: ok 41662
190: ok 41663
190: ok 41664
190: ok 41665
190: ok 41666
190: ok 41667
190: ok 41668
190: ok 41669
190: ok 41670
190: ok 41671
190: ok 41672
190: ok 41673
190: ok 41674
190: ok 41675
190: ok 41676
190: ok 41677
190: ok 41678
190: ok 41679
190: ok 41680
190: ok 41681
190: ok 41682
190: ok 41683
190: ok 41684
190: ok 41685
190: ok 41686
190: ok 41687
190: ok 41688
190: ok 41689
190: ok 41690
190: ok 41691
190: ok 41692
190: ok 41693
190: ok 41694
190: ok 41695
190: ok 41696
190: ok 41697
190: ok 41698
190: ok 41699
190: ok 41700
190: ok 41701
190: ok 41702
190: ok 41703
190: ok 41704
190: ok 41705
190: ok 41706
190: ok 41707
190: ok 41708
190: ok 41709
190: ok 41710
190: ok 41711
190: ok 41712
190: ok 41713
190: ok 41714
190: ok 41715
190: ok 41716
190: ok 41717
190: ok 41718
190: ok 41719
190: ok 41720
190: ok 41721
190: ok 41722
190: ok 41723
190: ok 41724
190: ok 41725
190: ok 41726
190: ok 41727
190: ok 41728
190: ok 41729
190: ok 41730
190: ok 41731
190: ok 41732
190: ok 41733
190: ok 41734
190: ok 41735
190: ok 41736
190: ok 41737
190: ok 41738
190: ok 41739
190: ok 41740
190: ok 41741
190: ok 41742
190: ok 41743
190: ok 41744
190: ok 41745
190: ok 41746
190: ok 41747
190: ok 41748
190: ok 41749
190: ok 41750
190: ok 41751
190: ok 41752
190: ok 41753
190: ok 41754
190: ok 41755
190: ok 41756
190: ok 41757
190: ok 41758
190: ok 41759
190: ok 41760
190: ok 41761
190: ok 41762
190: ok 41763
190: ok 41764
190: ok 41765
190: ok 41766
190: ok 41767
190: ok 41768
190: ok 41769
190: ok 41770
190: ok 41771
190: ok 41772
190: ok 41773
190: ok 41774
190: ok 41775
190: ok 41776
190: ok 41777
190: ok 41778
190: ok 41779
190: ok 41780
190: ok 41781
190: ok 41782
190: ok 41783
190: ok 41784
190: ok 41785
190: ok 41786
190: ok 41787
190: ok 41788
190: ok 41789
190: ok 41790
190: ok 41791
190: ok 41792
190: ok 41793
190: ok 41794
190: ok 41795
190: ok 41796
190: ok 41797
190: ok 41798
190: ok 41799
190: ok 41800
190: ok 41801
190: ok 41802
190: ok 41803
190: ok 41804
190: ok 41805
190: ok 41806
190: ok 41807
190: ok 41808
190: ok 41809
190: ok 41810
190: ok 41811
190: ok 41812
190: ok 41813
190: ok 41814
190: ok 41815
190: ok 41816
190: ok 41817
190: ok 41818
190: ok 41819
190: ok 41820
190: ok 41821
190: ok 41822
190: ok 41823
190: ok 41824
190: ok 41825
190: ok 41826
190: ok 41827
190: ok 41828
190: ok 41829
190: ok 41830
190: ok 41831
190: ok 41832
190: ok 41833
190: ok 41834
190: ok 41835
190: ok 41836
190: ok 41837
190: ok 41838
190: ok 41839
190: ok 41840
190: ok 41841
190: ok 41842
190: ok 41843
190: ok 41844
190: ok 41845
190: ok 41846
190: ok 41847
190: ok 41848
190: ok 41849
190: ok 41850
190: ok 41851
190: ok 41852
190: ok 41853
190: ok 41854
190: ok 41855
190: ok 41856
190: ok 41857
190: ok 41858
190: ok 41859
190: ok 41860
190: ok 41861
190: ok 41862
190: ok 41863
190: ok 41864
190: ok 41865
190: ok 41866
190: ok 41867
190: ok 41868
190: ok 41869
190: ok 41870
190: ok 41871
190: ok 41872
190: ok 41873
190: ok 41874
190: ok 41875
190: ok 41876
190: ok 41877
190: ok 41878
190: ok 41879
190: ok 41880
190: ok 41881
190: ok 41882
190: ok 41883
190: ok 41884
190: ok 41885
190: ok 41886
190: ok 41887
190: ok 41888
190: ok 41889
190: ok 41890
190: ok 41891
190: ok 41892
190: ok 41893
190: ok 41894
190: ok 41895
190: ok 41896
190: ok 41897
190: ok 41898
190: ok 41899
190: ok 41900
190: ok 41901
190: ok 41902
190: ok 41903
190: ok 41904
190: ok 41905
190: ok 41906
190: ok 41907
190: ok 41908
190: ok 41909
190: ok 41910
190: ok 41911
190: ok 41912
190: ok 41913
190: ok 41914
190: ok 41915
190: ok 41916
190: ok 41917
190: ok 41918
190: ok 41919
190: ok 41920
190: ok 41921
190: ok 41922
190: ok 41923
190: ok 41924
190: ok 41925
190: ok 41926
190: ok 41927
190: ok 41928
190: ok 41929
190: ok 41930
190: ok 41931
190: ok 41932
190: ok 41933
190: ok 41934
190: ok 41935
190: ok 41936
190: ok 41937
190: ok 41938
190: ok 41939
190: ok 41940
190: ok 41941
190: ok 41942
190: ok 41943
190: ok 41944
190: ok 41945
190: ok 41946
190: ok 41947
190: ok 41948
190: ok 41949
190: ok 41950
190: ok 41951
190: ok 41952
190: ok 41953
190: ok 41954
190: ok 41955
190: ok 41956
190: ok 41957
190: ok 41958
190: ok 41959
190: ok 41960
190: ok 41961
190: ok 41962
190: ok 41963
190: ok 41964
190: ok 41965
190: ok 41966
190: ok 41967
190: ok 41968
190: ok 41969
190: ok 41970
190: ok 41971
190: ok 41972
190: ok 41973
190: ok 41974
190: ok 41975
190: ok 41976
190: ok 41977
190: ok 41978
190: ok 41979
190: ok 41980
190: ok 41981
190: ok 41982
190: ok 41983
190: ok 41984
190: ok 41985
190: ok 41986
190: ok 41987
190: ok 41988
190: ok 41989
190: ok 41990
190: ok 41991
190: ok 41992
190: ok 41993
190: ok 41994
190: ok 41995
190: ok 41996
190: ok 41997
190: ok 41998
190: ok 41999
190: ok 42000
190: ok 42001
190: ok 42002
190: ok 42003
190: ok 42004
190: ok 42005
190: ok 42006
190: ok 42007
190: ok 42008
190: ok 42009
190: ok 42010
190: ok 42011
190: ok 42012
190: ok 42013
190: ok 42014
190: ok 42015
190: ok 42016
190: ok 42017
190: ok 42018
190: ok 42019
190: ok 42020
190: ok 42021
190: ok 42022
190: ok 42023
190: ok 42024
190: ok 42025
190: ok 42026
190: ok 42027
190: ok 42028
190: ok 42029
190: ok 42030
190: ok 42031
190: ok 42032
190: ok 42033
190: ok 42034
190: ok 42035
190: ok 42036
190: ok 42037
190: ok 42038
190: ok 42039
190: ok 42040
190: ok 42041
190: ok 42042
190: ok 42043
190: ok 42044
190: ok 42045
190: ok 42046
190: ok 42047
190: ok 42048
190: ok 42049
190: ok 42050
190: ok 42051
190: ok 42052
190: ok 42053
190: ok 42054
190: ok 42055
190: ok 42056
190: ok 42057
190: ok 42058
190: ok 42059
190: ok 42060
190: ok 42061
190: ok 42062
190: ok 42063
190: ok 42064
190: ok 42065
190: ok 42066
190: ok 42067
190: ok 42068
190: ok 42069
190: ok 42070
190: ok 42071
190: ok 42072
190: ok 42073
190: ok 42074
190: ok 42075
190: ok 42076
190: ok 42077
190: ok 42078
190: ok 42079
190: ok 42080
190: ok 42081
190: ok 42082
190: ok 42083
190: ok 42084
190: ok 42085
190: ok 42086
190: ok 42087
190: ok 42088
190: ok 42089
190: ok 42090
190: ok 42091
190: ok 42092
190: ok 42093
190: ok 42094
190: ok 42095
190: ok 42096
190: ok 42097
190: ok 42098
190: ok 42099
190: ok 42100
190: ok 42101
190: ok 42102
190: ok 42103
190: ok 42104
190: ok 42105
190: ok 42106
190: ok 42107
190: ok 42108
190: ok 42109
190: ok 42110
190: ok 42111
190: ok 42112
190: ok 42113
190: ok 42114
190: ok 42115
190: ok 42116
190: ok 42117
190: ok 42118
190: ok 42119
190: ok 42120
190: ok 42121
190: ok 42122
190: ok 42123
190: ok 42124
190: ok 42125
190: ok 42126
190: ok 42127
190: ok 42128
190: ok 42129
190: ok 42130
190: ok 42131
190: ok 42132
190: ok 42133
190: ok 42134
190: ok 42135
190: ok 42136
190: ok 42137
190: ok 42138
190: ok 42139
190: ok 42140
190: ok 42141
190: ok 42142
190: ok 42143
190: ok 42144
190: ok 42145
190: ok 42146
190: ok 42147
190: ok 42148
190: ok 42149
190: ok 42150
190: ok 42151
190: ok 42152
190: ok 42153
190: ok 42154
190: ok 42155
190: ok 42156
190: ok 42157
190: ok 42158
190: ok 42159
190: ok 42160
190: ok 42161
190: ok 42162
190: ok 42163
190: ok 42164
190: ok 42165
190: ok 42166
190: ok 42167
190: ok 42168
190: ok 42169
190: ok 42170
190: ok 42171
190: ok 42172
190: ok 42173
190: ok 42174
190: ok 42175
190: ok 42176
190: ok 42177
190: ok 42178
190: ok 42179
190: ok 42180
190: ok 42181
190: ok 42182
190: ok 42183
190: ok 42184
190: ok 42185
190: ok 42186
190: ok 42187
190: ok 42188
190: ok 42189
190: ok 42190
190: ok 42191
190: ok 42192
190: ok 42193
190: ok 42194
190: ok 42195
190: ok 42196
190: ok 42197
190: ok 42198
190: ok 42199
190: ok 42200
190: ok 42201
190: ok 42202
190: ok 42203
190: ok 42204
190: ok 42205
190: ok 42206
190: ok 42207
190: ok 42208
190: ok 42209
190: ok 42210
190: ok 42211
190: ok 42212
190: ok 42213
190: ok 42214
190: ok 42215
190: ok 42216
190: ok 42217
190: ok 42218
190: ok 42219
190: ok 42220
190: ok 42221
190: ok 42222
190: ok 42223
190: ok 42224
190: ok 42225
190: ok 42226
190: ok 42227
190: ok 42228
190: ok 42229
190: ok 42230
190: ok 42231
190: ok 42232
190: ok 42233
190: ok 42234
190: ok 42235
190: ok 42236
190: ok 42237
190: ok 42238
190: ok 42239
190: ok 42240
190: ok 42241
190: ok 42242
190: ok 42243
190: ok 42244
190: ok 42245
190: ok 42246
190: ok 42247
190: ok 42248
190: ok 42249
190: ok 42250
190: ok 42251
190: ok 42252
190: ok 42253
190: ok 42254
190: ok 42255
190: ok 42256
190: ok 42257
190: ok 42258
190: ok 42259
190: ok 42260
190: ok 42261
190: ok 42262
190: ok 42263
190: ok 42264
190: ok 42265
190: ok 42266
190: ok 42267
190: ok 42268
190: ok 42269
190: ok 42270
190: ok 42271
190: ok 42272
190: ok 42273
190: ok 42274
190: ok 42275
190: ok 42276
190: ok 42277
190: ok 42278
190: ok 42279
190: ok 42280
190: ok 42281
190: ok 42282
190: ok 42283
190: ok 42284
190: ok 42285
190: ok 42286
190: ok 42287
190: ok 42288
190: ok 42289
190: ok 42290
190: ok 42291
190: ok 42292
190: ok 42293
190: ok 42294
190: ok 42295
190: ok 42296
190: ok 42297
190: ok 42298
190: ok 42299
190: ok 42300
190: ok 42301
190: ok 42302
190: ok 42303
190: ok 42304
190: ok 42305
190: ok 42306
190: ok 42307
190: ok 42308
190: ok 42309
190: ok 42310
190: ok 42311
190: ok 42312
190: ok 42313
190: ok 42314
190: ok 42315
190: ok 42316
190: ok 42317
190: ok 42318
190: ok 42319
190: ok 42320
190: ok 42321
190: ok 42322
190: ok 42323
190: ok 42324
190: ok 42325
190: ok 42326
190: ok 42327
190: ok 42328
190: ok 42329
190: ok 42330
190: ok 42331
190: ok 42332
190: ok 42333
190: ok 42334
190: ok 42335
190: ok 42336
190: ok 42337
190: ok 42338
190: ok 42339
190: ok 42340
190: ok 42341
190: ok 42342
190: ok 42343
190: ok 42344
190: ok 42345
190: ok 42346
190: ok 42347
190: ok 42348
190: ok 42349
190: ok 42350
190: ok 42351
190: ok 42352
190: ok 42353
190: ok 42354
190: ok 42355
190: ok 42356
190: ok 42357
190: ok 42358
190: ok 42359
190: ok 42360
190: ok 42361
190: ok 42362
190: ok 42363
190: ok 42364
190: ok 42365
190: ok 42366
190: ok 42367
190: ok 42368
190: ok 42369
190: ok 42370
190: ok 42371
190: ok 42372
190: ok 42373
190: ok 42374
190: ok 42375
190: ok 42376
190: ok 42377
190: ok 42378
190: ok 42379
190: ok 42380
190: ok 42381
190: ok 42382
190: ok 42383
190: ok 42384
190: ok 42385
190: ok 42386
190: ok 42387
190: ok 42388
190: ok 42389
190: ok 42390
190: ok 42391
190: ok 42392
190: ok 42393
190: ok 42394
190: ok 42395
190: ok 42396
190: ok 42397
190: ok 42398
190: ok 42399
190: ok 42400
190: ok 42401
190: ok 42402
190: ok 42403
190: ok 42404
190: ok 42405
190: ok 42406
190: ok 42407
190: ok 42408
190: ok 42409
190: ok 42410
190: ok 42411
190: ok 42412
190: ok 42413
190: ok 42414
190: ok 42415
190: ok 42416
190: ok 42417
190: ok 42418
190: ok 42419
190: ok 42420
190: ok 42421
190: ok 42422
190: ok 42423
190: ok 42424
190: ok 42425
190: ok 42426
190: ok 42427
190: ok 42428
190: ok 42429
190: ok 42430
190: ok 42431
190: ok 42432
190: ok 42433
190: ok 42434
190: ok 42435
190: ok 42436
190: ok 42437
190: ok 42438
190: ok 42439
190: ok 42440
190: ok 42441
190: ok 42442
190: ok 42443
190: ok 42444
190: ok 42445
190: ok 42446
190: ok 42447
190: ok 42448
190: ok 42449
190: ok 42450
190: ok 42451
190: ok 42452
190: ok 42453
190: ok 42454
190: ok 42455
190: ok 42456
190: ok 42457
190: ok 42458
190: ok 42459
190: ok 42460
190: ok 42461
190: ok 42462
190: ok 42463
190: ok 42464
190: ok 42465
190: ok 42466
190: ok 42467
190: ok 42468
190: ok 42469
190: ok 42470
190: ok 42471
190: ok 42472
190: ok 42473
190: ok 42474
190: ok 42475
190: ok 42476
190: ok 42477
190: ok 42478
190: ok 42479
190: ok 42480
190: ok 42481
190: ok 42482
190: ok 42483
190: ok 42484
190: ok 42485
190: ok 42486
190: ok 42487
190: ok 42488
190: ok 42489
190: ok 42490
190: ok 42491
190: ok 42492
190: ok 42493
190: ok 42494
190: ok 42495
190: ok 42496
190: ok 42497
190: ok 42498
190: ok 42499
190: ok 42500
190: ok 42501
190: ok 42502
190: ok 42503
190: ok 42504
190: ok 42505
190: ok 42506
190: ok 42507
190: ok 42508
190: ok 42509
190: ok 42510
190: ok 42511
190: ok 42512
190: ok 42513
190: ok 42514
190: ok 42515
190: ok 42516
190: ok 42517
190: ok 42518
190: ok 42519
190: ok 42520
190: ok 42521
190: ok 42522
190: ok 42523
190: ok 42524
190: ok 42525
190: ok 42526
190: ok 42527
190: ok 42528
190: ok 42529
190: ok 42530
190: ok 42531
190: ok 42532
190: ok 42533
190: ok 42534
190: ok 42535
190: ok 42536
190: ok 42537
190: ok 42538
190: ok 42539
190: ok 42540
190: ok 42541
190: ok 42542
190: ok 42543
190: ok 42544
190: ok 42545
190: ok 42546
190: ok 42547
190: ok 42548
190: ok 42549
190: ok 42550
190: ok 42551
190: ok 42552
190: ok 42553
190: ok 42554
190: ok 42555
190: ok 42556
190: ok 42557
190: ok 42558
190: ok 42559
190: ok 42560
190: ok 42561
190: ok 42562
190: ok 42563
190: ok 42564
190: ok 42565
190: ok 42566
190: ok 42567
190: ok 42568
190: ok 42569
190: ok 42570
190: ok 42571
190: ok 42572
190: ok 42573
190: ok 42574
190: ok 42575
190: ok 42576
190: ok 42577
190: ok 42578
190: ok 42579
190: ok 42580
190: ok 42581
190: ok 42582
190: ok 42583
190: ok 42584
190: ok 42585
190: ok 42586
190: ok 42587
190: ok 42588
190: ok 42589
190: ok 42590
190: ok 42591
190: ok 42592
190: ok 42593
190: ok 42594
190: ok 42595
190: ok 42596
190: ok 42597
190: ok 42598
190: ok 42599
190: ok 42600
190: ok 42601
190: ok 42602
190: ok 42603
190: ok 42604
190: ok 42605
190: ok 42606
190: ok 42607
190: ok 42608
190: ok 42609
190: ok 42610
190: ok 42611
190: ok 42612
190: ok 42613
190: ok 42614
190: ok 42615
190: ok 42616
190: ok 42617
190: ok 42618
190: ok 42619
190: ok 42620
190: ok 42621
190: ok 42622
190: ok 42623
190: ok 42624
190: ok 42625
190: ok 42626
190: ok 42627
190: ok 42628
190: ok 42629
190: ok 42630
190: ok 42631
190: ok 42632
190: ok 42633
190: ok 42634
190: ok 42635
190: ok 42636
190: ok 42637
190: ok 42638
190: ok 42639
190: ok 42640
190: ok 42641
190: ok 42642
190: ok 42643
190: ok 42644
190: ok 42645
190: ok 42646
190: ok 42647
190: ok 42648
190: ok 42649
190: ok 42650
190: ok 42651
190: ok 42652
190: ok 42653
190: ok 42654
190: ok 42655
190: ok 42656
190: ok 42657
190: ok 42658
190: ok 42659
190: ok 42660
190: ok 42661
190: ok 42662
190: ok 42663
190: ok 42664
190: ok 42665
190: ok 42666
190: ok 42667
190: ok 42668
190: ok 42669
190: ok 42670
190: ok 42671
190: ok 42672
190: ok 42673
190: ok 42674
190: ok 42675
190: ok 42676
190: ok 42677
190: ok 42678
190: ok 42679
190: ok 42680
190: ok 42681
190: ok 42682
190: ok 42683
190: ok 42684
190: ok 42685
190: ok 42686
190: ok 42687
190: ok 42688
190: ok 42689
190: ok 42690
190: ok 42691
190: ok 42692
190: ok 42693
190: ok 42694
190: ok 42695
190: ok 42696
190: ok 42697
190: ok 42698
190: ok 42699
190: ok 42700
190: ok 42701
190: ok 42702
190: ok 42703
190: ok 42704
190: ok 42705
190: ok 42706
190: ok 42707
190: ok 42708
190: ok 42709
190: ok 42710
190: ok 42711
190: ok 42712
190: ok 42713
190: ok 42714
190: ok 42715
190: ok 42716
190: ok 42717
190: ok 42718
190: ok 42719
190: ok 42720
190: ok 42721
190: ok 42722
190: ok 42723
190: ok 42724
190: ok 42725
190: ok 42726
190: ok 42727
190: ok 42728
190: ok 42729
190: ok 42730
190: ok 42731
190: ok 42732
190: ok 42733
190: ok 42734
190: ok 42735
190: ok 42736
190: ok 42737
190: ok 42738
190: ok 42739
190: ok 42740
190: ok 42741
190: ok 42742
190: ok 42743
190: ok 42744
190: ok 42745
190: ok 42746
190: ok 42747
190: ok 42748
190: ok 42749
190: ok 42750
190: ok 42751
190: ok 42752
190: ok 42753
190: ok 42754
190: ok 42755
190: ok 42756
190: ok 42757
190: ok 42758
190: ok 42759
190: ok 42760
190: ok 42761
190: ok 42762
190: ok 42763
190: ok 42764
190: ok 42765
190: ok 42766
190: ok 42767
190: ok 42768
190: ok 42769
190: ok 42770
190: ok 42771
190: ok 42772
190: ok 42773
190: ok 42774
190: ok 42775
190: ok 42776
190: ok 42777
190: ok 42778
190: ok 42779
190: ok 42780
190: ok 42781
190: ok 42782
190: ok 42783
190: ok 42784
190: ok 42785
190: ok 42786
190: ok 42787
190: ok 42788
190: ok 42789
190: ok 42790
190: ok 42791
190: ok 42792
190: ok 42793
190: ok 42794
190: ok 42795
190: ok 42796
190: ok 42797
190: ok 42798
190: ok 42799
190: ok 42800
190: ok 42801
190: ok 42802
190: ok 42803
190: ok 42804
190: ok 42805
190: ok 42806
190: ok 42807
190: ok 42808
190: ok 42809
190: ok 42810
190: ok 42811
190: ok 42812
190: ok 42813
190: ok 42814
190: ok 42815
190: ok 42816
190: ok 42817
190: ok 42818
190: ok 42819
190: ok 42820
190: ok 42821
190: ok 42822
190: ok 42823
190: ok 42824
190: ok 42825
190: ok 42826
190: ok 42827
190: ok 42828
190: ok 42829
190: ok 42830
190: ok 42831
190: ok 42832
190: ok 42833
190: ok 42834
190: ok 42835
190: ok 42836
190: ok 42837
190: ok 42838
190: ok 42839
190: ok 42840
190: ok 42841
190: ok 42842
190: ok 42843
190: ok 42844
190: ok 42845
190: ok 42846
190: ok 42847
190: ok 42848
190: ok 42849
190: ok 42850
190: ok 42851
190: ok 42852
190: ok 42853
190: ok 42854
190: ok 42855
190: ok 42856
190: ok 42857
190: ok 42858
190: ok 42859
190: ok 42860
190: ok 42861
190: ok 42862
190: ok 42863
190: ok 42864
190: ok 42865
190: ok 42866
190: ok 42867
190: ok 42868
190: ok 42869
190: ok 42870
190: ok 42871
190: ok 42872
190: ok 42873
190: ok 42874
190: ok 42875
190: ok 42876
190: ok 42877
190: ok 42878
190: ok 42879
190: ok 42880
190: ok 42881
190: ok 42882
190: ok 42883
190: ok 42884
190: ok 42885
190: ok 42886
190: ok 42887
190: ok 42888
190: ok 42889
190: ok 42890
190: ok 42891
190: ok 42892
190: ok 42893
190: ok 42894
190: ok 42895
190: ok 42896
190: ok 42897
190: ok 42898
190: ok 42899
190: ok 42900
190: ok 42901
190: ok 42902
190: ok 42903
190: ok 42904
190: ok 42905
190: ok 42906
190: ok 42907
190: ok 42908
190: ok 42909
190: ok 42910
190: ok 42911
190: ok 42912
190: ok 42913
190: ok 42914
190: ok 42915
190: ok 42916
190: ok 42917
190: ok 42918
190: ok 42919
190: ok 42920
190: ok 42921
190: ok 42922
190: ok 42923
190: ok 42924
190: ok 42925
190: ok 42926
190: ok 42927
190: ok 42928
190: ok 42929
190: ok 42930
190: ok 42931
190: ok 42932
190: ok 42933
190: ok 42934
190: ok 42935
190: ok 42936
190: ok 42937
190: ok 42938
190: ok 42939
190: ok 42940
190: ok 42941
190: ok 42942
190: ok 42943
190: ok 42944
190: ok 42945
190: ok 42946
190: ok 42947
190: ok 42948
190: ok 42949
190: ok 42950
190: ok 42951
190: ok 42952
190: ok 42953
190: ok 42954
190: ok 42955
190: ok 42956
190: ok 42957
190: ok 42958
190: ok 42959
190: ok 42960
190: ok 42961
190: ok 42962
190: ok 42963
190: ok 42964
190: ok 42965
190: ok 42966
190: ok 42967
190: ok 42968
190: ok 42969
190: ok 42970
190: ok 42971
190: ok 42972
190: ok 42973
190: ok 42974
190: ok 42975
190: ok 42976
190: ok 42977
190: ok 42978
190: ok 42979
190: ok 42980
190: ok 42981
190: ok 42982
190: ok 42983
190: ok 42984
190: ok 42985
190: ok 42986
190: ok 42987
190: ok 42988
190: ok 42989
190: ok 42990
190: ok 42991
190: ok 42992
190: ok 42993
190: ok 42994
190: ok 42995
190: ok 42996
190: ok 42997
190: ok 42998
190: ok 42999
190: ok 43000
190: ok 43001
190: ok 43002
190: ok 43003
190: ok 43004
190: ok 43005
190: ok 43006
190: ok 43007
190: ok 43008
190: ok 43009
190: ok 43010
190: ok 43011
190: ok 43012
190: ok 43013
190: ok 43014
190: ok 43015
190: ok 43016
190: ok 43017
190: ok 43018
190: ok 43019
190: ok 43020
190: ok 43021
190: ok 43022
190: ok 43023
190: ok 43024
190: ok 43025
190: ok 43026
190: ok 43027
190: ok 43028
190: ok 43029
190: ok 43030
190: ok 43031
190: ok 43032
190: ok 43033
190: ok 43034
190: ok 43035
190: ok 43036
190: ok 43037
190: ok 43038
190: ok 43039
190: ok 43040
190: ok 43041
190: ok 43042
190: ok 43043
190: ok 43044
190: ok 43045
190: ok 43046
190: ok 43047
190: ok 43048
190: ok 43049
190: ok 43050
190: ok 43051
190: ok 43052
190: ok 43053
190: ok 43054
190: ok 43055
190: ok 43056
190: ok 43057
190: ok 43058
190: ok 43059
190: ok 43060
190: ok 43061
190: ok 43062
190: ok 43063
190: ok 43064
190: ok 43065
190: ok 43066
190: ok 43067
190: ok 43068
190: ok 43069
190: ok 43070
190: ok 43071
190: ok 43072
190: ok 43073
190: ok 43074
190: ok 43075
190: ok 43076
190: ok 43077
190: ok 43078
190: ok 43079
190: ok 43080
190: ok 43081
190: ok 43082
190: ok 43083
190: ok 43084
190: ok 43085
190: ok 43086
190: ok 43087
190: ok 43088
190: ok 43089
190: ok 43090
190: ok 43091
190: ok 43092
190: ok 43093
190: ok 43094
190: ok 43095
190: ok 43096
190: ok 43097
190: ok 43098
190: ok 43099
190: ok 43100
190: ok 43101
190: ok 43102
190: ok 43103
190: ok 43104
190: ok 43105
190: ok 43106
190: ok 43107
190: ok 43108
190: ok 43109
190: ok 43110
190: ok 43111
190: ok 43112
190: ok 43113
190: ok 43114
190: ok 43115
190: ok 43116
190: ok 43117
190: ok 43118
190: ok 43119
190: ok 43120
190: ok 43121
190: ok 43122
190: ok 43123
190: ok 43124
190: ok 43125
190: ok 43126
190: ok 43127
190: ok 43128
190: ok 43129
190: ok 43130
190: ok 43131
190: ok 43132
190: ok 43133
190: ok 43134
190: ok 43135
190: ok 43136
190: ok 43137
190: ok 43138
190: ok 43139
190: ok 43140
190: ok 43141
190: ok 43142
190: ok 43143
190: ok 43144
190: ok 43145
190: ok 43146
190: ok 43147
190: ok 43148
190: ok 43149
190: ok 43150
190: ok 43151
190: ok 43152
190: ok 43153
190: ok 43154
190: ok 43155
190: ok 43156
190: ok 43157
190: ok 43158
190: ok 43159
190: ok 43160
190: ok 43161
190: ok 43162
190: ok 43163
190: ok 43164
190: ok 43165
190: ok 43166
190: ok 43167
190: ok 43168
190: ok 43169
190: ok 43170
190: ok 43171
190: ok 43172
190: ok 43173
190: ok 43174
190: ok 43175
190: ok 43176
190: ok 43177
190: ok 43178
190: ok 43179
190: ok 43180
190: ok 43181
190: ok 43182
190: ok 43183
190: ok 43184
190: ok 43185
190: ok 43186
190: ok 43187
190: ok 43188
190: ok 43189
190: ok 43190
190: ok 43191
190: ok 43192
190: ok 43193
190: ok 43194
190: ok 43195
190: ok 43196
190: ok 43197
190: ok 43198
190: ok 43199
190: ok 43200
190: ok 43201
190: ok 43202
190: ok 43203
190: ok 43204
190: ok 43205
190: ok 43206
190: ok 43207
190: ok 43208
190: ok 43209
190: ok 43210
190: ok 43211
190: ok 43212
190: ok 43213
190: ok 43214
190: ok 43215
190: ok 43216
190: ok 43217
190: ok 43218
190: ok 43219
190: ok 43220
190: ok 43221
190: ok 43222
190: ok 43223
190: ok 43224
190: ok 43225
190: ok 43226
190: ok 43227
190: ok 43228
190: ok 43229
190: ok 43230
190: ok 43231
190: ok 43232
190: ok 43233
190: ok 43234
190: ok 43235
190: ok 43236
190: ok 43237
190: ok 43238
190: ok 43239
190: ok 43240
190: ok 43241
190: ok 43242
190: ok 43243
190: ok 43244
190: ok 43245
190: ok 43246
190: ok 43247
190: ok 43248
190: ok 43249
190: ok 43250
190: ok 43251
190: ok 43252
190: ok 43253
190: ok 43254
190: ok 43255
190: ok 43256
190: ok 43257
190: ok 43258
190: ok 43259
190: ok 43260
190: ok 43261
190: ok 43262
190: ok 43263
190: ok 43264
190: ok 43265
190: ok 43266
190: ok 43267
190: ok 43268
190: ok 43269
190: ok 43270
190: ok 43271
190: ok 43272
190: ok 43273
190: ok 43274
190: ok 43275
190: ok 43276
190: ok 43277
190: ok 43278
190: ok 43279
190: ok 43280
190: ok 43281
190: ok 43282
190: ok 43283
190: ok 43284
190: ok 43285
190: ok 43286
190: ok 43287
190: ok 43288
190: ok 43289
190: ok 43290
190: ok 43291
190: ok 43292
190: ok 43293
190: ok 43294
190: ok 43295
190: ok 43296
190: ok 43297
190: ok 43298
190: ok 43299
190: ok 43300
190: ok 43301
190: ok 43302
190: ok 43303
190: ok 43304
190: ok 43305
190: ok 43306
190: ok 43307
190: ok 43308
190: ok 43309
190: ok 43310
190: ok 43311
190: ok 43312
190: ok 43313
190: ok 43314
190: ok 43315
190: ok 43316
190: ok 43317
190: ok 43318
190: ok 43319
190: ok 43320
190: ok 43321
190: ok 43322
190: ok 43323
190: ok 43324
190: ok 43325
190: ok 43326
190: ok 43327
190: ok 43328
190: ok 43329
190: ok 43330
190: ok 43331
190: ok 43332
190: ok 43333
190: ok 43334
190: ok 43335
190: ok 43336
190: ok 43337
190: ok 43338
190: ok 43339
190: ok 43340
190: ok 43341
190: ok 43342
190: ok 43343
190: ok 43344
190: ok 43345
190: ok 43346
190: ok 43347
190: ok 43348
190: ok 43349
190: ok 43350
190: ok 43351
190: ok 43352
190: ok 43353
190: ok 43354
190: ok 43355
190: ok 43356
190: ok 43357
190: ok 43358
190: ok 43359
190: ok 43360
190: ok 43361
190: ok 43362
190: ok 43363
190: ok 43364
190: ok 43365
190: ok 43366
190: ok 43367
190: ok 43368
190: ok 43369
190: ok 43370
190: ok 43371
190: ok 43372
190: ok 43373
190: ok 43374
190: ok 43375
190: ok 43376
190: ok 43377
190: ok 43378
190: ok 43379
190: ok 43380
190: ok 43381
190: ok 43382
190: ok 43383
190: ok 43384
190: ok 43385
190: ok 43386
190: ok 43387
190: ok 43388
190: ok 43389
190: ok 43390
190: ok 43391
190: ok 43392
190: ok 43393
190: ok 43394
190: ok 43395
190: ok 43396
190: ok 43397
190: ok 43398
190: ok 43399
190: ok 43400
190: ok 43401
190: ok 43402
190: ok 43403
190: ok 43404
190: ok 43405
190: ok 43406
190: ok 43407
190: ok 43408
190: ok 43409
190: ok 43410
190: ok 43411
190: ok 43412
190: ok 43413
190: ok 43414
190: ok 43415
190: ok 43416
190: ok 43417
190: ok 43418
190: ok 43419
190: ok 43420
190: ok 43421
190: ok 43422
190: ok 43423
190: ok 43424
190: ok 43425
190: ok 43426
190: ok 43427
190: ok 43428
190: ok 43429
190: ok 43430
190: ok 43431
190: ok 43432
190: ok 43433
190: ok 43434
190: ok 43435
190: ok 43436
190: ok 43437
190: ok 43438
190: ok 43439
190: ok 43440
190: ok 43441
190: ok 43442
190: ok 43443
190: ok 43444
190: ok 43445
190: ok 43446
190: ok 43447
190: ok 43448
190: ok 43449
190: ok 43450
190: ok 43451
190: ok 43452
190: ok 43453
190: ok 43454
190: ok 43455
190: ok 43456
190: ok 43457
190: ok 43458
190: ok 43459
190: ok 43460
190: ok 43461
190: ok 43462
190: ok 43463
190: ok 43464
190: ok 43465
190: ok 43466
190: ok 43467
190: ok 43468
190: ok 43469
190: ok 43470
190: ok 43471
190: ok 43472
190: ok 43473
190: ok 43474
190: ok 43475
190: ok 43476
190: ok 43477
190: ok 43478
190: ok 43479
190: ok 43480
190: ok 43481
190: ok 43482
190: ok 43483
190: ok 43484
190: ok 43485
190: ok 43486
190: ok 43487
190: ok 43488
190: ok 43489
190: ok 43490
190: ok 43491
190: ok 43492
190: ok 43493
190: ok 43494
190: ok 43495
190: ok 43496
190: ok 43497
190: ok 43498
190: ok 43499
190: ok 43500
190: ok 43501
190: ok 43502
190: ok 43503
190: ok 43504
190: ok 43505
190: ok 43506
190: ok 43507
190: ok 43508
190: ok 43509
190: ok 43510
190: ok 43511
190: ok 43512
190: ok 43513
190: ok 43514
190: ok 43515
190: ok 43516
190: ok 43517
190: ok 43518
190: ok 43519
190: ok 43520
190: ok 43521
190: ok 43522
190: ok 43523
190: ok 43524
190: ok 43525
190: ok 43526
190: ok 43527
190: ok 43528
190: ok 43529
190: ok 43530
190: ok 43531
190: ok 43532
190: ok 43533
190: ok 43534
190: ok 43535
190: ok 43536
190: ok 43537
190: ok 43538
190: ok 43539
190: ok 43540
190: ok 43541
190: ok 43542
190: ok 43543
190: ok 43544
190: ok 43545
190: ok 43546
190: ok 43547
190: ok 43548
190: ok 43549
190: ok 43550
190: ok 43551
190: ok 43552
190: ok 43553
190: ok 43554
190: ok 43555
190: ok 43556
190: ok 43557
190: ok 43558
190: ok 43559
190: ok 43560
190: ok 43561
190: ok 43562
190: ok 43563
190: ok 43564
190: ok 43565
190: ok 43566
190: ok 43567
190: ok 43568
190: ok 43569
190: ok 43570
190: ok 43571
190: ok 43572
190: ok 43573
190: ok 43574
190: ok 43575
190: ok 43576
190: ok 43577
190: ok 43578
190: ok 43579
190: ok 43580
190: ok 43581
190: ok 43582
190: ok 43583
190: ok 43584
190: ok 43585
190: ok 43586
190: ok 43587
190: ok 43588
190: ok 43589
190: ok 43590
190: ok 43591
190: ok 43592
190: ok 43593
190: ok 43594
190: ok 43595
190: ok 43596
190: ok 43597
190: ok 43598
190: ok 43599
190: ok 43600
190: ok 43601
190: ok 43602
190: ok 43603
190: ok 43604
190: ok 43605
190: ok 43606
190: ok 43607
190: ok 43608
190: ok 43609
190: ok 43610
190: ok 43611
190: ok 43612
190: ok 43613
190: ok 43614
190: ok 43615
190: ok 43616
190: ok 43617
190: ok 43618
190: ok 43619
190: ok 43620
190: ok 43621
190: ok 43622
190: ok 43623
190: ok 43624
190: ok 43625
190: ok 43626
190: ok 43627
190: ok 43628
190: ok 43629
190: ok 43630
190: ok 43631
190: ok 43632
190: ok 43633
190: ok 43634
190: ok 43635
190: ok 43636
190: ok 43637
190: ok 43638
190: ok 43639
190: ok 43640
190: ok 43641
190: ok 43642
190: ok 43643
190: ok 43644
190: ok 43645
190: ok 43646
190: ok 43647
190: ok 43648
190: ok 43649
190: ok 43650
190: ok 43651
190: ok 43652
190: ok 43653
190: ok 43654
190: ok 43655
190: ok 43656
190: ok 43657
190: ok 43658
190: ok 43659
190: ok 43660
190: ok 43661
190: ok 43662
190: ok 43663
190: ok 43664
190: ok 43665
190: ok 43666
190: ok 43667
190: ok 43668
190: ok 43669
190: ok 43670
190: ok 43671
190: ok 43672
190: ok 43673
190: ok 43674
190: ok 43675
190: ok 43676
190: ok 43677
190: ok 43678
190: ok 43679
190: ok 43680
190: ok 43681
190: ok 43682
190: ok 43683
190: ok 43684
190: ok 43685
190: ok 43686
190: ok 43687
190: ok 43688
190: ok 43689
190: ok 43690
190: ok 43691
190: ok 43692
190: ok 43693
190: ok 43694
190: ok 43695
190: ok 43696
190: ok 43697
190: ok 43698
190: ok 43699
190: ok 43700
190: ok 43701
190: ok 43702
190: ok 43703
190: ok 43704
190: ok 43705
190: ok 43706
190: ok 43707
190: ok 43708
190: ok 43709
190: ok 43710
190: ok 43711
190: ok 43712
190: ok 43713
190: ok 43714
190: ok 43715
190: ok 43716
190: ok 43717
190: ok 43718
190: ok 43719
190: ok 43720
190: ok 43721
190: ok 43722
190: ok 43723
190: ok 43724
190: ok 43725
190: ok 43726
190: ok 43727
190: ok 43728
190: ok 43729
190: ok 43730
190: ok 43731
190: ok 43732
190: ok 43733
190: ok 43734
190: ok 43735
190: ok 43736
190: ok 43737
190: ok 43738
190: ok 43739
190: ok 43740
190: ok 43741
190: ok 43742
190: ok 43743
190: ok 43744
190: ok 43745
190: ok 43746
190: ok 43747
190: ok 43748
190: ok 43749
190: ok 43750
190: ok 43751
190: ok 43752
190: ok 43753
190: ok 43754
190: ok 43755
190: ok 43756
190: ok 43757
190: ok 43758
190: ok 43759
190: ok 43760
190: ok 43761
190: ok 43762
190: ok 43763
190: ok 43764
190: ok 43765
190: ok 43766
190: ok 43767
190: ok 43768
190: ok 43769
190: ok 43770
190: ok 43771
190: ok 43772
190: ok 43773
190: ok 43774
190: ok 43775
190: ok 43776
190: ok 43777
190: ok 43778
190: ok 43779
190: ok 43780
190: ok 43781
190: ok 43782
190: ok 43783
190: ok 43784
190: ok 43785
190: ok 43786
190: ok 43787
190: ok 43788
190: ok 43789
190: ok 43790
190: ok 43791
190: ok 43792
190: ok 43793
190: ok 43794
190: ok 43795
190: ok 43796
190: ok 43797
190: ok 43798
190: ok 43799
190: ok 43800
190: ok 43801
190: ok 43802
190: ok 43803
190: ok 43804
190: ok 43805
190: ok 43806
190: ok 43807
190: ok 43808
190: ok 43809
190: ok 43810
190: ok 43811
190: ok 43812
190: ok 43813
190: ok 43814
190: ok 43815
190: ok 43816
190: ok 43817
190: ok 43818
190: ok 43819
190: ok 43820
190: ok 43821
190: ok 43822
190: ok 43823
190: ok 43824
190: ok 43825
190: ok 43826
190: ok 43827
190: ok 43828
190: ok 43829
190: ok 43830
190: ok 43831
190: ok 43832
190: ok 43833
190: ok 43834
190: ok 43835
190: ok 43836
190: ok 43837
190: ok 43838
190: ok 43839
190: ok 43840
190: ok 43841
190: ok 43842
190: ok 43843
190: ok 43844
190: ok 43845
190: ok 43846
190: ok 43847
190: ok 43848
190: ok 43849
190: ok 43850
190: ok 43851
190: ok 43852
190: ok 43853
190: ok 43854
190: ok 43855
190: ok 43856
190: ok 43857
190: ok 43858
190: ok 43859
190: ok 43860
190: ok 43861
190: ok 43862
190: ok 43863
190: ok 43864
190: ok 43865
190: ok 43866
190: ok 43867
190: ok 43868
190: ok 43869
190: ok 43870
190: ok 43871
190: ok 43872
190: ok 43873
190: ok 43874
190: ok 43875
190: ok 43876
190: ok 43877
190: ok 43878
190: ok 43879
190: ok 43880
190: ok 43881
190: ok 43882
190: ok 43883
190: ok 43884
190: ok 43885
190: ok 43886
190: ok 43887
190: ok 43888
190: ok 43889
190: ok 43890
190: ok 43891
190: ok 43892
190: ok 43893
190: ok 43894
190: ok 43895
190: ok 43896
190: ok 43897
190: ok 43898
190: ok 43899
190: ok 43900
190: ok 43901
190: ok 43902
190: ok 43903
190: ok 43904
190: ok 43905
190: ok 43906
190: ok 43907
190: ok 43908
190: ok 43909
190: ok 43910
190: ok 43911
190: ok 43912
190: ok 43913
190: ok 43914
190: ok 43915
190: ok 43916
190: ok 43917
190: ok 43918
190: ok 43919
190: ok 43920
190: ok 43921
190: ok 43922
190: ok 43923
190: ok 43924
190: ok 43925
190: ok 43926
190: ok 43927
190: ok 43928
190: ok 43929
190: ok 43930
190: ok 43931
190: ok 43932
190: ok 43933
190: ok 43934
190: ok 43935
190: ok 43936
190: ok 43937
190: ok 43938
190: ok 43939
190: ok 43940
190: ok 43941
190: ok 43942
190: ok 43943
190: ok 43944
190: ok 43945
190: ok 43946
190: ok 43947
190: ok 43948
190: ok 43949
190: ok 43950
190: ok 43951
190: ok 43952
190: ok 43953
190: ok 43954
190: ok 43955
190: ok 43956
190: ok 43957
190: ok 43958
190: ok 43959
190: ok 43960
190: ok 43961
190: ok 43962
190: ok 43963
190: ok 43964
190: ok 43965
190: ok 43966
190: ok 43967
190: ok 43968
190: ok 43969
190: ok 43970
190: ok 43971
190: ok 43972
190: ok 43973
190: ok 43974
190: ok 43975
190: ok 43976
190: ok 43977
190: ok 43978
190: ok 43979
190: ok 43980
190: ok 43981
190: ok 43982
190: ok 43983
190: ok 43984
190: ok 43985
190: ok 43986
190: ok 43987
190: ok 43988
190: ok 43989
190: ok 43990
190: ok 43991
190: ok 43992
190: ok 43993
190: ok 43994
190: ok 43995
190: ok 43996
190: ok 43997
190: ok 43998
190: ok 43999
190: ok 44000
190: ok 44001
190: ok 44002
190: ok 44003
190: ok 44004
190: ok 44005
190: ok 44006
190: ok 44007
190: ok 44008
190: ok 44009
190: ok 44010
190: ok 44011
190: ok 44012
190: ok 44013
190: ok 44014
190: ok 44015
190: ok 44016
190: ok 44017
190: ok 44018
190: ok 44019
190: ok 44020
190: ok 44021
190: ok 44022
190: ok 44023
190: ok 44024
190: ok 44025
190: ok 44026
190: ok 44027
190: ok 44028
190: ok 44029
190: ok 44030
190: ok 44031
190: ok 44032
190: ok 44033
190: ok 44034
190: ok 44035
190: ok 44036
190: ok 44037
190: ok 44038
190: ok 44039
190: ok 44040
190: ok 44041
190: ok 44042
190: ok 44043
190: ok 44044
190: ok 44045
190: ok 44046
190: ok 44047
190: ok 44048
190: ok 44049
190: ok 44050
190: ok 44051
190: ok 44052
190: ok 44053
190: ok 44054
190: ok 44055
190: ok 44056
190: ok 44057
190: ok 44058
190: ok 44059
190: ok 44060
190: ok 44061
190: ok 44062
190: ok 44063
190: ok 44064
190: ok 44065
190: ok 44066
190: ok 44067
190: ok 44068
190: ok 44069
190: ok 44070
190: ok 44071
190: ok 44072
190: ok 44073
190: ok 44074
190: ok 44075
190: ok 44076
190: ok 44077
190: ok 44078
190: ok 44079
190: ok 44080
190: ok 44081
190: ok 44082
190: ok 44083
190: ok 44084
190: ok 44085
190: ok 44086
190: ok 44087
190: ok 44088
190: ok 44089
190: ok 44090
190: ok 44091
190: ok 44092
190: ok 44093
190: ok 44094
190: ok 44095
190: ok 44096
190: ok 44097
190: ok 44098
190: ok 44099
190: ok 44100
190: ok 44101
190: ok 44102
190: ok 44103
190: ok 44104
190: ok 44105
190: ok 44106
190: ok 44107
190: ok 44108
190: ok 44109
190: ok 44110
190: ok 44111
190: ok 44112
190: ok 44113
190: ok 44114
190: ok 44115
190: ok 44116
190: ok 44117
190: ok 44118
190: ok 44119
190: ok 44120
190: ok 44121
190: ok 44122
190: ok 44123
190: ok 44124
190: ok 44125
190: ok 44126
190: ok 44127
190: ok 44128
190: ok 44129
190: ok 44130
190: ok 44131
190: ok 44132
190: ok 44133
190: ok 44134
190: ok 44135
190: ok 44136
190: ok 44137
190: ok 44138
190: ok 44139
190: ok 44140
190: ok 44141
190: ok 44142
190: ok 44143
190: ok 44144
190: ok 44145
190: ok 44146
190: ok 44147
190: ok 44148
190: ok 44149
190: ok 44150
190: ok 44151
190: ok 44152
190: ok 44153
190: ok 44154
190: ok 44155
190: ok 44156
190: ok 44157
190: ok 44158
190: ok 44159
190: ok 44160
190: ok 44161
190: ok 44162
190: ok 44163
190: ok 44164
190: ok 44165
190: ok 44166
190: ok 44167
190: ok 44168
190: ok 44169
190: ok 44170
190: ok 44171
190: ok 44172
190: ok 44173
190: ok 44174
190: ok 44175
190: ok 44176
190: ok 44177
190: ok 44178
190: ok 44179
190: ok 44180
190: ok 44181
190: ok 44182
190: ok 44183
190: ok 44184
190: ok 44185
190: ok 44186
190: ok 44187
190: ok 44188
190: ok 44189
190: ok 44190
190: ok 44191
190: ok 44192
190: ok 44193
190: ok 44194
190: ok 44195
190: ok 44196
190: ok 44197
190: ok 44198
190: ok 44199
190: ok 44200
190: ok 44201
190: ok 44202
190: ok 44203
190: ok 44204
190: ok 44205
190: ok 44206
190: ok 44207
190: ok 44208
190: ok 44209
190: ok 44210
190: ok 44211
190: ok 44212
190: ok 44213
190: ok 44214
190: ok 44215
190: ok 44216
190: ok 44217
190: ok 44218
190: ok 44219
190: ok 44220
190: ok 44221
190: ok 44222
190: ok 44223
190: ok 44224
190: ok 44225
190: ok 44226
190: ok 44227
190: ok 44228
190: ok 44229
190: ok 44230
190: ok 44231
190: ok 44232
190: ok 44233
190: ok 44234
190: ok 44235
190: ok 44236
190: ok 44237
190: ok 44238
190: ok 44239
190: ok 44240
190: ok 44241
190: ok 44242
190: ok 44243
190: ok 44244
190: ok 44245
190: ok 44246
190: ok 44247
190: ok 44248
190: ok 44249
190: ok 44250
190: ok 44251
190: ok 44252
190: ok 44253
190: ok 44254
190: ok 44255
190: ok 44256
190: ok 44257
190: ok 44258
190: ok 44259
190: ok 44260
190: ok 44261
190: ok 44262
190: ok 44263
190: ok 44264
190: ok 44265
190: ok 44266
190: ok 44267
190: ok 44268
190: ok 44269
190: ok 44270
190: ok 44271
190: ok 44272
190: ok 44273
190: ok 44274
190: ok 44275
190: ok 44276
190: ok 44277
190: ok 44278
190: ok 44279
190: ok 44280
190: ok 44281
190: ok 44282
190: ok 44283
190: ok 44284
190: ok 44285
190: ok 44286
190: ok 44287
190: ok 44288
190: ok 44289
190: ok 44290
190: ok 44291
190: ok 44292
190: ok 44293
190: ok 44294
190: ok 44295
190: ok 44296
190: ok 44297
190: ok 44298
190: ok 44299
190: ok 44300
190: ok 44301
190: ok 44302
190: ok 44303
190: ok 44304
190: ok 44305
190: ok 44306
190: ok 44307
190: ok 44308
190: ok 44309
190: ok 44310
190: ok 44311
190: ok 44312
190: ok 44313
190: ok 44314
190: ok 44315
190: ok 44316
190: ok 44317
190: ok 44318
190: ok 44319
190: ok 44320
190: ok 44321
190: ok 44322
190: ok 44323
190: ok 44324
190: ok 44325
190: ok 44326
190: ok 44327
190: ok 44328
190: ok 44329
190: ok 44330
190: ok 44331
190: ok 44332
190: ok 44333
190: ok 44334
190: ok 44335
190: ok 44336
190: ok 44337
190: ok 44338
190: ok 44339
190: ok 44340
190: ok 44341
190: ok 44342
190: ok 44343
190: ok 44344
190: ok 44345
190: ok 44346
190: ok 44347
190: ok 44348
190: ok 44349
190: ok 44350
190: ok 44351
190: ok 44352
190: ok 44353
190: ok 44354
190: ok 44355
190: ok 44356
190: ok 44357
190: ok 44358
190: ok 44359
190: ok 44360
190: ok 44361
190: ok 44362
190: ok 44363
190: ok 44364
190: ok 44365
190: ok 44366
190: ok 44367
190: ok 44368
190: ok 44369
190: ok 44370
190: ok 44371
190: ok 44372
190: ok 44373
190: ok 44374
190: ok 44375
190: ok 44376
190: ok 44377
190: ok 44378
190: ok 44379
190: ok 44380
190: ok 44381
190: ok 44382
190: ok 44383
190: ok 44384
190: ok 44385
190: ok 44386
190: ok 44387
190: ok 44388
190: ok 44389
190: ok 44390
190: ok 44391
190: ok 44392
190: ok 44393
190: ok 44394
190: ok 44395
190: ok 44396
190: ok 44397
190: ok 44398
190: ok 44399
190: ok 44400
190: ok 44401
190: ok 44402
190: ok 44403
190: ok 44404
190: ok 44405
190: ok 44406
190: ok 44407
190: ok 44408
190: ok 44409
190: ok 44410
190: ok 44411
190: ok 44412
190: ok 44413
190: ok 44414
190: ok 44415
190: ok 44416
190: ok 44417
190: ok 44418
190: ok 44419
190: ok 44420
190: ok 44421
190: ok 44422
190: ok 44423
190: ok 44424
190: ok 44425
190: ok 44426
190: ok 44427
190: ok 44428
190: ok 44429
190: ok 44430
190: ok 44431
190: ok 44432
190: ok 44433
190: ok 44434
190: ok 44435
190: ok 44436
190: ok 44437
190: ok 44438
190: ok 44439
190: ok 44440
190: ok 44441
190: ok 44442
190: ok 44443
190: ok 44444
190: ok 44445
190: ok 44446
190: ok 44447
190: ok 44448
190: ok 44449
190: ok 44450
190: ok 44451
190: ok 44452
190: ok 44453
190: ok 44454
190: ok 44455
190: ok 44456
190: ok 44457
190: ok 44458
190: ok 44459
190: ok 44460
190: ok 44461
190: ok 44462
190: ok 44463
190: ok 44464
190: ok 44465
190: ok 44466
190: ok 44467
190: ok 44468
190: ok 44469
190: ok 44470
190: ok 44471
190: ok 44472
190: ok 44473
190: ok 44474
190: ok 44475
190: ok 44476
190: ok 44477
190: ok 44478
190: ok 44479
190: ok 44480
190: ok 44481
190: ok 44482
190: ok 44483
190: ok 44484
190: ok 44485
190: ok 44486
190: ok 44487
190: ok 44488
190: ok 44489
190: ok 44490
190: ok 44491
190: ok 44492
190: ok 44493
190: ok 44494
190: ok 44495
190: ok 44496
190: ok 44497
190: ok 44498
190: ok 44499
190: ok 44500
190: ok 44501
190: ok 44502
190: ok 44503
190: ok 44504
190: ok 44505
190: ok 44506
190: ok 44507
190: ok 44508
190: ok 44509
190: ok 44510
190: ok 44511
190: ok 44512
190: ok 44513
190: ok 44514
190: ok 44515
190: ok 44516
190: ok 44517
190: ok 44518
190: ok 44519
190: ok 44520
190: ok 44521
190: ok 44522
190: ok 44523
190: ok 44524
190: ok 44525
190: ok 44526
190: ok 44527
190: ok 44528
190: ok 44529
190: ok 44530
190: ok 44531
190: ok 44532
190: ok 44533
190: ok 44534
190: ok 44535
190: ok 44536
190: ok 44537
190: ok 44538
190: ok 44539
190: ok 44540
190: ok 44541
190: ok 44542
190: ok 44543
190: ok 44544
190: ok 44545
190: ok 44546
190: ok 44547
190: ok 44548
190: ok 44549
190: ok 44550
190: ok 44551
190: ok 44552
190: ok 44553
190: ok 44554
190: ok 44555
190: ok 44556
190: ok 44557
190: ok 44558
190: ok 44559
190: ok 44560
190: ok 44561
190: ok 44562
190: ok 44563
190: ok 44564
190: ok 44565
190: ok 44566
190: ok 44567
190: ok 44568
190: ok 44569
190: ok 44570
190: ok 44571
190: ok 44572
190: ok 44573
190: ok 44574
190: ok 44575
190: ok 44576
190: ok 44577
190: ok 44578
190: ok 44579
190: ok 44580
190: ok 44581
190: ok 44582
190: ok 44583
190: ok 44584
190: ok 44585
190: ok 44586
190: ok 44587
190: ok 44588
190: ok 44589
190: ok 44590
190: ok 44591
190: ok 44592
190: ok 44593
190: ok 44594
190: ok 44595
190: ok 44596
190: ok 44597
190: ok 44598
190: ok 44599
190: ok 44600
190: ok 44601
190: ok 44602
190: ok 44603
190: ok 44604
190: ok 44605
190: ok 44606
190: ok 44607
190: ok 44608
190: ok 44609
190: ok 44610
190: ok 44611
190: ok 44612
190: ok 44613
190: ok 44614
190: ok 44615
190: ok 44616
190: ok 44617
190: ok 44618
190: ok 44619
190: ok 44620
190: ok 44621
190: ok 44622
190: ok 44623
190: ok 44624
190: ok 44625
190: ok 44626
190: ok 44627
190: ok 44628
190: ok 44629
190: ok 44630
190: ok 44631
190: ok 44632
190: ok 44633
190: ok 44634
190: ok 44635
190: ok 44636
190: ok 44637
190: ok 44638
190: ok 44639
190: ok 44640
190: ok 44641
190: ok 44642
190: ok 44643
190: ok 44644
190: ok 44645
190: ok 44646
190: ok 44647
190: ok 44648
190: ok 44649
190: ok 44650
190: ok 44651
190: ok 44652
190: ok 44653
190: ok 44654
190: ok 44655
190: ok 44656
190: ok 44657
190: ok 44658
190: ok 44659
190: ok 44660
190: ok 44661
190: ok 44662
190: ok 44663
190: ok 44664
190: ok 44665
190: ok 44666
190: ok 44667
190: ok 44668
190: ok 44669
190: ok 44670
190: ok 44671
190: ok 44672
190: ok 44673
190: ok 44674
190: ok 44675
190: ok 44676
190: ok 44677
190: ok 44678
190: ok 44679
190: ok 44680
190: ok 44681
190: ok 44682
190: ok 44683
190: ok 44684
190: ok 44685
190: ok 44686
190: ok 44687
190: ok 44688
190: ok 44689
190: ok 44690
190: ok 44691
190: ok 44692
190: ok 44693
190: ok 44694
190: ok 44695
190: ok 44696
190: ok 44697
190: ok 44698
190: ok 44699
190: ok 44700
190: ok 44701
190: ok 44702
190: ok 44703
190: ok 44704
190: ok 44705
190: ok 44706
190: ok 44707
190: ok 44708
190: ok 44709
190: ok 44710
190: ok 44711
190: ok 44712
190: ok 44713
190: ok 44714
190: ok 44715
190: ok 44716
190: ok 44717
190: ok 44718
190: ok 44719
190: ok 44720
190: ok 44721
190: ok 44722
190: ok 44723
190: ok 44724
190: ok 44725
190: ok 44726
190: ok 44727
190: ok 44728
190: ok 44729
190: ok 44730
190: ok 44731
190: ok 44732
190: ok 44733
190: ok 44734
190: ok 44735
190: ok 44736
190: ok 44737
190: ok 44738
190: ok 44739
190: ok 44740
190: ok 44741
190: ok 44742
190: ok 44743
190: ok 44744
190: ok 44745
190: ok 44746
190: ok 44747
190: ok 44748
190: ok 44749
190: ok 44750
190: ok 44751
190: ok 44752
190: ok 44753
190: ok 44754
190: ok 44755
190: ok 44756
190: ok 44757
190: ok 44758
190: ok 44759
190: ok 44760
190: ok 44761
190: ok 44762
190: ok 44763
190: ok 44764
190: ok 44765
190: ok 44766
190: ok 44767
190: ok 44768
190: ok 44769
190: ok 44770
190: ok 44771
190: ok 44772
190: ok 44773
190: ok 44774
190: ok 44775
190: ok 44776
190: ok 44777
190: ok 44778
190: ok 44779
190: ok 44780
190: ok 44781
190: ok 44782
190: ok 44783
190: ok 44784
190: ok 44785
190: ok 44786
190: ok 44787
190: ok 44788
190: ok 44789
190: ok 44790
190: ok 44791
190: ok 44792
190: ok 44793
190: ok 44794
190: ok 44795
190: ok 44796
190: ok 44797
190: ok 44798
190: ok 44799
190: ok 44800
190: ok 44801
190: ok 44802
190: ok 44803
190: ok 44804
190: ok 44805
190: ok 44806
190: ok 44807
190: ok 44808
190: ok 44809
190: ok 44810
190: ok 44811
190: ok 44812
190: ok 44813
190: ok 44814
190: ok 44815
190: ok 44816
190: ok 44817
190: ok 44818
190: ok 44819
190: ok 44820
190: ok 44821
190: ok 44822
190: ok 44823
190: ok 44824
190: ok 44825
190: ok 44826
190: ok 44827
190: ok 44828
190: ok 44829
190: ok 44830
190: ok 44831
190: ok 44832
190: ok 44833
190: ok 44834
190: ok 44835
190: ok 44836
190: ok 44837
190: ok 44838
190: ok 44839
190: ok 44840
190: ok 44841
190: ok 44842
190: ok 44843
190: ok 44844
190: ok 44845
190: ok 44846
190: ok 44847
190: ok 44848
190: ok 44849
190: ok 44850
190: ok 44851
190: ok 44852
190: ok 44853
190: ok 44854
190: ok 44855
190: ok 44856
190: ok 44857
190: ok 44858
190: ok 44859
190: ok 44860
190: ok 44861
190: ok 44862
190: ok 44863
190: ok 44864
190: ok 44865
190: ok 44866
190: ok 44867
190: ok 44868
190: ok 44869
190: ok 44870
190: ok 44871
190: ok 44872
190: ok 44873
190: ok 44874
190: ok 44875
190: ok 44876
190: ok 44877
190: ok 44878
190: ok 44879
190: ok 44880
190: ok 44881
190: ok 44882
190: ok 44883
190: ok 44884
190: ok 44885
190: ok 44886
190: ok 44887
190: ok 44888
190: ok 44889
190: ok 44890
190: ok 44891
190: ok 44892
190: ok 44893
190: ok 44894
190: ok 44895
190: ok 44896
190: ok 44897
190: ok 44898
190: ok 44899
190: ok 44900
190: ok 44901
190: ok 44902
190: ok 44903
190: ok 44904
190: ok 44905
190: ok 44906
190: ok 44907
190: ok 44908
190: ok 44909
190: ok 44910
190: ok 44911
190: ok 44912
190: ok 44913
190: ok 44914
190: ok 44915
190: ok 44916
190: ok 44917
190: ok 44918
190: ok 44919
190: ok 44920
190: ok 44921
190: ok 44922
190: ok 44923
190: ok 44924
190: ok 44925
190: ok 44926
190: ok 44927
190: ok 44928
190: ok 44929
190: ok 44930
190: ok 44931
190: ok 44932
190: ok 44933
190: ok 44934
190: ok 44935
190: ok 44936
190: ok 44937
190: ok 44938
190: ok 44939
190: ok 44940
190: ok 44941
190: ok 44942
190: ok 44943
190: ok 44944
190: ok 44945
190: ok 44946
190: ok 44947
190: ok 44948
190: ok 44949
190: ok 44950
190: ok 44951
190: ok 44952
190: ok 44953
190: ok 44954
190: ok 44955
190: ok 44956
190: ok 44957
190: ok 44958
190: ok 44959
190: ok 44960
190: ok 44961
190: ok 44962
190: ok 44963
190: ok 44964
190: ok 44965
190: ok 44966
190: ok 44967
190: ok 44968
190: ok 44969
190: ok 44970
190: ok 44971
190: ok 44972
190: ok 44973
190: ok 44974
190: ok 44975
190: ok 44976
190: ok 44977
190: ok 44978
190: ok 44979
190: ok 44980
190: ok 44981
190: ok 44982
190: ok 44983
190: ok 44984
190: ok 44985
190: ok 44986
190: ok 44987
190: ok 44988
190: ok 44989
190: ok 44990
190: ok 44991
190: ok 44992
190: ok 44993
190: ok 44994
190: ok 44995
190: ok 44996
190: ok 44997
190: ok 44998
190: ok 44999
190: ok 45000
190: ok 45001
190: ok 45002
190: ok 45003
190: ok 45004
190: ok 45005
190: ok 45006
190: ok 45007
190: ok 45008
190: ok 45009
190: ok 45010
190: ok 45011
190: ok 45012
190: ok 45013
190: ok 45014
190: ok 45015
190: ok 45016
190: ok 45017
190: ok 45018
190: ok 45019
190: ok 45020
190: ok 45021
190: ok 45022
190: ok 45023
190: ok 45024
190: ok 45025
190: ok 45026
190: ok 45027
190: ok 45028
190: ok 45029
190: ok 45030
190: ok 45031
190: ok 45032
190: ok 45033
190: ok 45034
190: ok 45035
190: ok 45036
190: ok 45037
190: ok 45038
190: ok 45039
190: ok 45040
190: ok 45041
190: ok 45042
190: ok 45043
190: ok 45044
190: ok 45045
190: ok 45046
190: ok 45047
190: ok 45048
190: ok 45049
190: ok 45050
190: ok 45051
190: ok 45052
190: ok 45053
190: ok 45054
190: ok 45055
190: ok 45056
190: ok 45057
190: ok 45058
190: ok 45059
190: ok 45060
190: ok 45061
190: ok 45062
190: ok 45063
190: ok 45064
190: ok 45065
190: ok 45066
190: ok 45067
190: ok 45068
190: ok 45069
190: ok 45070
190: ok 45071
190: ok 45072
190: ok 45073
190: ok 45074
190: ok 45075
190: ok 45076
190: ok 45077
190: ok 45078
190: ok 45079
190: ok 45080
190: ok 45081
190: ok 45082
190: ok 45083
190: ok 45084
190: ok 45085
190: ok 45086
190: ok 45087
190: ok 45088
190: ok 45089
190: ok 45090
190: ok 45091
190: ok 45092
190: ok 45093
190: ok 45094
190: ok 45095
190: ok 45096
190: ok 45097
190: ok 45098
190: ok 45099
190: ok 45100
190: ok 45101
190: ok 45102
190: ok 45103
190: ok 45104
190: ok 45105
190: ok 45106
190: ok 45107
190: ok 45108
190: ok 45109
190: ok 45110
190: ok 45111
190: ok 45112
190: ok 45113
190: ok 45114
190: ok 45115
190: ok 45116
190: ok 45117
190: ok 45118
190: ok 45119
190: ok 45120
190: ok 45121
190: ok 45122
190: ok 45123
190: ok 45124
190: ok 45125
190: ok 45126
190: ok 45127
190: ok 45128
190: ok 45129
190: ok 45130
190: ok 45131
190: ok 45132
190: ok 45133
190: ok 45134
190: ok 45135
190: ok 45136
190: ok 45137
190: ok 45138
190: ok 45139
190: ok 45140
190: ok 45141
190: ok 45142
190: ok 45143
190: ok 45144
190: ok 45145
190: ok 45146
190: ok 45147
190: ok 45148
190: ok 45149
190: ok 45150
190: ok 45151
190: ok 45152
190: ok 45153
190: ok 45154
190: ok 45155
190: ok 45156
190: ok 45157
190: ok 45158
190: ok 45159
190: ok 45160
190: ok 45161
190: ok 45162
190: ok 45163
190: ok 45164
190: ok 45165
190: ok 45166
190: ok 45167
190: ok 45168
190: ok 45169
190: ok 45170
190: ok 45171
190: ok 45172
190: ok 45173
190: ok 45174
190: ok 45175
190: ok 45176
190: ok 45177
190: ok 45178
190: ok 45179
190: ok 45180
190: ok 45181
190: ok 45182
190: ok 45183
190: ok 45184
190: ok 45185
190: ok 45186
190: ok 45187
190: ok 45188
190: ok 45189
190: ok 45190
190: ok 45191
190: ok 45192
190: ok 45193
190: ok 45194
190: ok 45195
190: ok 45196
190: ok 45197
190: ok 45198
190: ok 45199
190: ok 45200
190: ok 45201
190: ok 45202
190: ok 45203
190: ok 45204
190: ok 45205
190: ok 45206
190: ok 45207
190: ok 45208
190: ok 45209
190: ok 45210
190: ok 45211
190: ok 45212
190: ok 45213
190: ok 45214
190: ok 45215
190: ok 45216
190: ok 45217
190: ok 45218
190: ok 45219
190: ok 45220
190: ok 45221
190: ok 45222
190: ok 45223
190: ok 45224
190: ok 45225
190: ok 45226
190: ok 45227
190: ok 45228
190: ok 45229
190: ok 45230
190: ok 45231
190: ok 45232
190: ok 45233
190: ok 45234
190: ok 45235
190: ok 45236
190: ok 45237
190: ok 45238
190: ok 45239
190: ok 45240
190: ok 45241
190: ok 45242
190: ok 45243
190: ok 45244
190: ok 45245
190: ok 45246
190: ok 45247
190: ok 45248
190: ok 45249
190: ok 45250
190: ok 45251
190: ok 45252
190: ok 45253
190: ok 45254
190: ok 45255
190: ok 45256
190: ok 45257
190: ok 45258
190: ok 45259
190: ok 45260
190: ok 45261
190: ok 45262
190: ok 45263
190: ok 45264
190: ok 45265
190: ok 45266
190: ok 45267
190: ok 45268
190: ok 45269
190: ok 45270
190: ok 45271
190: ok 45272
190: ok 45273
190: ok 45274
190: ok 45275
190: ok 45276
190: ok 45277
190: ok 45278
190: ok 45279
190: ok 45280
190: ok 45281
190: ok 45282
190: ok 45283
190: ok 45284
190: ok 45285
190: ok 45286
190: ok 45287
190: ok 45288
190: ok 45289
190: ok 45290
190: ok 45291
190: ok 45292
190: ok 45293
190: ok 45294
190: ok 45295
190: ok 45296
190: ok 45297
190: ok 45298
190: ok 45299
190: ok 45300
190: ok 45301
190: ok 45302
190: ok 45303
190: ok 45304
190: ok 45305
190: ok 45306
190: ok 45307
190: ok 45308
190: ok 45309
190: ok 45310
190: ok 45311
190: ok 45312
190: ok 45313
190: ok 45314
190: ok 45315
190: ok 45316
190: ok 45317
190: ok 45318
190: ok 45319
190: ok 45320
190: ok 45321
190: ok 45322
190: ok 45323
190: ok 45324
190: ok 45325
190: ok 45326
190: ok 45327
190: ok 45328
190: ok 45329
190: ok 45330
190: ok 45331
190: ok 45332
190: ok 45333
190: ok 45334
190: ok 45335
190: ok 45336
190: ok 45337
190: ok 45338
190: ok 45339
190: ok 45340
190: ok 45341
190: ok 45342
190: ok 45343
190: ok 45344
190: ok 45345
190: ok 45346
190: ok 45347
190: ok 45348
190: ok 45349
190: ok 45350
190: ok 45351
190: ok 45352
190: ok 45353
190: ok 45354
190: ok 45355
190: ok 45356
190: ok 45357
190: ok 45358
190: ok 45359
190: ok 45360
190: ok 45361
190: ok 45362
190: ok 45363
190: ok 45364
190: ok 45365
190: ok 45366
190: ok 45367
190: ok 45368
190: ok 45369
190: ok 45370
190: ok 45371
190: ok 45372
190: ok 45373
190: ok 45374
190: ok 45375
190: ok 45376
190: ok 45377
190: ok 45378
190: ok 45379
190: ok 45380
190: ok 45381
190: ok 45382
190: ok 45383
190: ok 45384
190: ok 45385
190: ok 45386
190: ok 45387
190: ok 45388
190: ok 45389
190: ok 45390
190: ok 45391
190: ok 45392
190: ok 45393
190: ok 45394
190: ok 45395
190: ok 45396
190: ok 45397
190: ok 45398
190: ok 45399
190: ok 45400
190: ok 45401
190: ok 45402
190: ok 45403
190: ok 45404
190: ok 45405
190: ok 45406
190: ok 45407
190: ok 45408
190: ok 45409
190: ok 45410
190: ok 45411
190: ok 45412
190: ok 45413
190: ok 45414
190: ok 45415
190: ok 45416
190: ok 45417
190: ok 45418
190: ok 45419
190: ok 45420
190: ok 45421
190: ok 45422
190: ok 45423
190: ok 45424
190: ok 45425
190: ok 45426
190: ok 45427
190: ok 45428
190: ok 45429
190: ok 45430
190: ok 45431
190: ok 45432
190: ok 45433
190: ok 45434
190: ok 45435
190: ok 45436
190: ok 45437
190: ok 45438
190: ok 45439
190: ok 45440
190: ok 45441
190: ok 45442
190: ok 45443
190: ok 45444
190: ok 45445
190: ok 45446
190: ok 45447
190: ok 45448
190: ok 45449
190: ok 45450
190: ok 45451
190: ok 45452
190: ok 45453
190: ok 45454
190: ok 45455
190: ok 45456
190: ok 45457
190: ok 45458
190: ok 45459
190: ok 45460
190: ok 45461
190: ok 45462
190: ok 45463
190: ok 45464
190: ok 45465
190: ok 45466
190: ok 45467
190: ok 45468
190: ok 45469
190: ok 45470
190: ok 45471
190: ok 45472
190: ok 45473
190: ok 45474
190: ok 45475
190: ok 45476
190: ok 45477
190: ok 45478
190: ok 45479
190: ok 45480
190: ok 45481
190: ok 45482
190: ok 45483
190: ok 45484
190: ok 45485
190: ok 45486
190: ok 45487
190: ok 45488
190: ok 45489
190: ok 45490
190: ok 45491
190: ok 45492
190: ok 45493
190: ok 45494
190: ok 45495
190: ok 45496
190: ok 45497
190: ok 45498
190: ok 45499
190: ok 45500
190: ok 45501
190: ok 45502
190: ok 45503
190: ok 45504
190: ok 45505
190: ok 45506
190: ok 45507
190: ok 45508
190: ok 45509
190: ok 45510
190: ok 45511
190: ok 45512
190: ok 45513
190: ok 45514
190: ok 45515
190: ok 45516
190: ok 45517
190: ok 45518
190: ok 45519
190: ok 45520
190: ok 45521
190: ok 45522
190: ok 45523
190: ok 45524
190: ok 45525
190: ok 45526
190: ok 45527
190: ok 45528
190: ok 45529
190: ok 45530
190: ok 45531
190: ok 45532
190: ok 45533
190: ok 45534
190: ok 45535
190: ok 45536
190: ok 45537
190: ok 45538
190: ok 45539
190: ok 45540
190: ok 45541
190: ok 45542
190: ok 45543
190: ok 45544
190: ok 45545
190: ok 45546
190: ok 45547
190: ok 45548
190: ok 45549
190: ok 45550
190: ok 45551
190: ok 45552
190: ok 45553
190: ok 45554
190: ok 45555
190: ok 45556
190: ok 45557
190: ok 45558
190: ok 45559
190: ok 45560
190: ok 45561
190: ok 45562
190: ok 45563
190: ok 45564
190: ok 45565
190: ok 45566
190: ok 45567
190: ok 45568
190: ok 45569
190: ok 45570
190: ok 45571
190: ok 45572
190: ok 45573
190: ok 45574
190: ok 45575
190: ok 45576
190: ok 45577
190: ok 45578
190: ok 45579
190: ok 45580
190: ok 45581
190: ok 45582
190: ok 45583
190: ok 45584
190: ok 45585
190: ok 45586
190: ok 45587
190: ok 45588
190: ok 45589
190: ok 45590
190: ok 45591
190: ok 45592
190: ok 45593
190: ok 45594
190: ok 45595
190: ok 45596
190: ok 45597
190: ok 45598
190: ok 45599
190: ok 45600
190: ok 45601
190: ok 45602
190: ok 45603
190: ok 45604
190: ok 45605
190: ok 45606
190: ok 45607
190: ok 45608
190: ok 45609
190: ok 45610
190: ok 45611
190: ok 45612
190: ok 45613
190: ok 45614
190: ok 45615
190: ok 45616
190: ok 45617
190: ok 45618
190: ok 45619
190: ok 45620
190: ok 45621
190: ok 45622
190: ok 45623
190: ok 45624
190: ok 45625
190: ok 45626
190: ok 45627
190: ok 45628
190: ok 45629
190: ok 45630
190: ok 45631
190: ok 45632
190: ok 45633
190: ok 45634
190: ok 45635
190: ok 45636
190: ok 45637
190: ok 45638
190: ok 45639
190: ok 45640
190: ok 45641
190: ok 45642
190: ok 45643
190: ok 45644
190: ok 45645
190: ok 45646
190: ok 45647
190: ok 45648
190: ok 45649
190: ok 45650
190: ok 45651
190: ok 45652
190: ok 45653
190: ok 45654
190: ok 45655
190: ok 45656
190: ok 45657
190: ok 45658
190: ok 45659
190: ok 45660
190: ok 45661
190: ok 45662
190: ok 45663
190: ok 45664
190: ok 45665
190: ok 45666
190: ok 45667
190: ok 45668
190: ok 45669
190: ok 45670
190: ok 45671
190: ok 45672
190: ok 45673
190: ok 45674
190: ok 45675
190: ok 45676
190: ok 45677
190: ok 45678
190: ok 45679
190: ok 45680
190: ok 45681
190: ok 45682
190: ok 45683
190: ok 45684
190: ok 45685
190: ok 45686
190: ok 45687
190: ok 45688
190: ok 45689
190: ok 45690
190: ok 45691
190: ok 45692
190: ok 45693
190: ok 45694
190: ok 45695
190: ok 45696
190: ok 45697
190: ok 45698
190: ok 45699
190: ok 45700
190: ok 45701
190: ok 45702
190: ok 45703
190: ok 45704
190: ok 45705
190: ok 45706
190: ok 45707
190: ok 45708
190: ok 45709
190: ok 45710
190: ok 45711
190: ok 45712
190: ok 45713
190: ok 45714
190: ok 45715
190: ok 45716
190: ok 45717
190: ok 45718
190: ok 45719
190: ok 45720
190: ok 45721
190: ok 45722
190: ok 45723
190: ok 45724
190: ok 45725
190: ok 45726
190: ok 45727
190: ok 45728
190: ok 45729
190: ok 45730
190: ok 45731
190: ok 45732
190: ok 45733
190: ok 45734
190: ok 45735
190: ok 45736
190: ok 45737
190: ok 45738
190: ok 45739
190: ok 45740
190: ok 45741
190: ok 45742
190: ok 45743
190: ok 45744
190: ok 45745
190: ok 45746
190: ok 45747
190: ok 45748
190: ok 45749
190: ok 45750
190: ok 45751
190: ok 45752
190: ok 45753
190: ok 45754
190: ok 45755
190: ok 45756
190: ok 45757
190: ok 45758
190: ok 45759
190: ok 45760
190: ok 45761
190: ok 45762
190: ok 45763
190: ok 45764
190: ok 45765
190: ok 45766
190: ok 45767
190: ok 45768
190: ok 45769
190: ok 45770
190: ok 45771
190: ok 45772
190: ok 45773
190: ok 45774
190: ok 45775
190: ok 45776
190: ok 45777
190: ok 45778
190: ok 45779
190: ok 45780
190: ok 45781
190: ok 45782
190: ok 45783
190: ok 45784
190: ok 45785
190: ok 45786
190: ok 45787
190: ok 45788
190: ok 45789
190: ok 45790
190: ok 45791
190: ok 45792
190: ok 45793
190: ok 45794
190: ok 45795
190: ok 45796
190: ok 45797
190: ok 45798
190: ok 45799
190: ok 45800
190: ok 45801
190: ok 45802
190: ok 45803
190: ok 45804
190: ok 45805
190: ok 45806
190: ok 45807
190: ok 45808
190: ok 45809
190: ok 45810
190: ok 45811
190: ok 45812
190: ok 45813
190: ok 45814
190: ok 45815
190: ok 45816
190: ok 45817
190: ok 45818
190: ok 45819
190: ok 45820
190: ok 45821
190: ok 45822
190: ok 45823
190: ok 45824
190: ok 45825
190: ok 45826
190: ok 45827
190: ok 45828
190: ok 45829
190: ok 45830
190: ok 45831
190: ok 45832
190: ok 45833
190: ok 45834
190: ok 45835
190: ok 45836
190: ok 45837
190: ok 45838
190: ok 45839
190: ok 45840
190: ok 45841
190: ok 45842
190: ok 45843
190: ok 45844
190: ok 45845
190: ok 45846
190: ok 45847
190: ok 45848
190: ok 45849
190: ok 45850
190: ok 45851
190: ok 45852
190: ok 45853
190: ok 45854
190: ok 45855
190: ok 45856
190: ok 45857
190: ok 45858
190: ok 45859
190: ok 45860
190: ok 45861
190: ok 45862
190: ok 45863
190: ok 45864
190: ok 45865
190: ok 45866
190: ok 45867
190: ok 45868
190: ok 45869
190: ok 45870
190: ok 45871
190: ok 45872
190: ok 45873
190: ok 45874
190: ok 45875
190: ok 45876
190: ok 45877
190: ok 45878
190: ok 45879
190: ok 45880
190: ok 45881
190: ok 45882
190: ok 45883
190: ok 45884
190: ok 45885
190: ok 45886
190: ok 45887
190: ok 45888
190: ok 45889
190: ok 45890
190: ok 45891
190: ok 45892
190: ok 45893
190: ok 45894
190: ok 45895
190: ok 45896
190: ok 45897
190: ok 45898
190: ok 45899
190: ok 45900
190: ok 45901
190: ok 45902
190: ok 45903
190: ok 45904
190: ok 45905
190: ok 45906
190: ok 45907
190: ok 45908
190: ok 45909
190: ok 45910
190: ok 45911
190: ok 45912
190: ok 45913
190: ok 45914
190: ok 45915
190: ok 45916
190: ok 45917
190: ok 45918
190: ok 45919
190: ok 45920
190: ok 45921
190: ok 45922
190: ok 45923
190: ok 45924
190: ok 45925
190: ok 45926
190: ok 45927
190: ok 45928
190: ok 45929
190: ok 45930
190: ok 45931
190: ok 45932
190: ok 45933
190: ok 45934
190: ok 45935
190: ok 45936
190: ok 45937
190: ok 45938
190: ok 45939
190: ok 45940
190: ok 45941
190: ok 45942
190: ok 45943
190: ok 45944
190: ok 45945
190: ok 45946
190: ok 45947
190: ok 45948
190: ok 45949
190: ok 45950
190: ok 45951
190: ok 45952
190: ok 45953
190: ok 45954
190: ok 45955
190: ok 45956
190: ok 45957
190: ok 45958
190: ok 45959
190: ok 45960
190: ok 45961
190: ok 45962
190: ok 45963
190: ok 45964
190: ok 45965
190: ok 45966
190: ok 45967
190: ok 45968
190: ok 45969
190: ok 45970
190: ok 45971
190: ok 45972
190: ok 45973
190: ok 45974
190: ok 45975
190: ok 45976
190: ok 45977
190: ok 45978
190: ok 45979
190: ok 45980
190: ok 45981
190: ok 45982
190: ok 45983
190: ok 45984
190: ok 45985
190: ok 45986
190: ok 45987
190: ok 45988
190: ok 45989
190: ok 45990
190: ok 45991
190: ok 45992
190: ok 45993
190: ok 45994
190: ok 45995
190: ok 45996
190: ok 45997
190: ok 45998
190: ok 45999
190: ok 46000
190: # math: passed testBasics_matrix3x3
190: 1..46000
190: # math: all tests are successful
191: ok 7819
191: ok 7820
191: ok 7821
191: ok 7822
191: ok 7823
191: ok 7824
191: ok 7825
191: ok 7826
191: ok 7827
191: ok 7828
191: ok 7829
191: ok 7830
191: ok 7831
191: ok 7832
191: ok 7833
191: ok 7834
191: ok 7835
191: ok 7836
191: ok 7837
191: ok 7838
191: ok 7839
191: ok 7840
191: ok 7841
191: ok 7842
191: ok 7843
191: ok 7844
191: ok 7845
191: ok 7846
191: ok 7847
191: ok 7848
191: ok 7849
191: ok 7850
191: ok 7851
191: ok 7852
191: ok 7853
191: ok 7854
191: ok 7855
191: ok 7856
191: ok 7857
191: ok 7858
191: ok 7859
191: ok 7860
191: ok 7861
191: ok 7862
191: ok 7863
191: ok 7864
191: ok 7865
191: ok 7866
191: ok 7867
191: ok 7868
191: ok 7869
191: ok 7870
191: ok 7871
191: ok 7872
191: ok 7873
191: ok 7874
191: ok 7875
191: ok 7876
191: ok 7877
191: ok 7878
191: ok 7879
191: ok 7880
191: ok 7881
191: ok 7882
191: ok 7883
191: ok 7884
191: ok 7885
191: ok 7886
191: ok 7887
191: ok 7888
191: ok 7889
191: ok 7890
191: ok 7891
191: ok 7892
191: ok 7893
191: ok 7894
191: ok 7895
191: ok 7896
191: ok 7897
191: ok 7898
191: ok 7899
191: ok 7900
191: ok 7901
191: ok 7902
191: ok 7903
191: ok 7904
191: ok 7905
191: ok 7906
191: ok 7907
191: ok 7908
191: ok 7909
191: ok 7910
191: ok 7911
191: ok 7912
191: ok 7913
191: ok 7914
191: ok 7915
191: ok 7916
191: ok 7917
191: ok 7918
191: ok 7919
191: ok 7920
191: ok 7921
191: ok 7922
191: ok 7923
191: ok 7924
191: ok 7925
191: ok 7926
191: ok 7927
191: ok 7928
191: ok 7929
191: ok 7930
191: ok 7931
191: ok 7932
191: ok 7933
191: ok 7934
191: ok 7935
191: ok 7936
191: ok 7937
191: ok 7938
191: ok 7939
191: ok 7940
191: ok 7941
191: ok 7942
191: ok 7943
191: ok 7944
191: ok 7945
191: ok 7946
191: ok 7947
191: ok 7948
191: ok 7949
191: ok 7950
191: ok 7951
191: ok 7952
191: ok 7953
191: ok 7954
191: ok 7955
191: ok 7956
191: ok 7957
191: ok 7958
191: ok 7959
191: ok 7960
191: ok 7961
191: ok 7962
191: ok 7963
191: ok 7964
191: ok 7965
191: ok 7966
191: ok 7967
191: ok 7968
191: ok 7969
191: ok 7970
191: ok 7971
191: ok 7972
191: ok 7973
191: ok 7974
191: ok 7975
191: ok 7976
191: ok 7977
191: ok 7978
191: ok 7979
191: ok 7980
191: ok 7981
191: ok 7982
191: ok 7983
191: ok 7984
191: ok 7985
191: ok 7986
191: ok 7987
191: ok 7988
191: ok 7989
191: ok 7990
191: ok 7991
191: ok 7992
191: ok 7993
191: ok 7994
191: ok 7995
191: ok 7996
191: ok 7997
191: ok 7998
191: ok 7999
191: ok 8000
191: ok 8001
191: ok 8002
191: ok 8003
191: ok 8004
191: ok 8005
191: ok 8006
191: ok 8007
191: ok 8008
191: ok 8009
191: ok 8010
191: ok 8011
191: ok 8012
191: ok 8013
191: ok 8014
191: ok 8015
191: ok 8016
191: ok 8017
191: ok 8018
191: ok 8019
191: ok 8020
191: ok 8021
191: ok 8022
191: ok 8023
191: ok 8024
191: ok 8025
191: ok 8026
191: ok 8027
191: ok 8028
191: ok 8029
191: ok 8030
191: ok 8031
191: ok 8032
191: ok 8033
191: ok 8034
191: ok 8035
191: ok 8036
191: ok 8037
191: ok 8038
191: ok 8039
191: ok 8040
191: ok 8041
191: ok 8042
191: ok 8043
191: ok 8044
191: ok 8045
191: ok 8046
191: ok 8047
191: ok 8048
191: ok 8049
191: ok 8050
191: ok 8051
191: ok 8052
191: ok 8053
191: ok 8054
191: ok 8055
191: ok 8056
191: ok 8057
191: ok 8058
191: ok 8059
191: ok 8060
191: ok 8061
191: ok 8062
191: ok 8063
191: ok 8064
191: ok 8065
191: ok 8066
191: ok 8067
191: ok 8068
191: ok 8069
191: ok 8070
191: ok 8071
191: ok 8072
191: ok 8073
191: ok 8074
191: ok 8075
191: ok 8076
191: ok 8077
191: ok 8078
191: ok 8079
191: ok 8080
191: ok 8081
191: ok 8082
191: ok 8083
191: ok 8084
191: ok 8085
191: ok 8086
191: ok 8087
191: ok 8088
191: ok 8089
191: ok 8090
191: ok 8091
191: ok 8092
191: ok 8093
191: ok 8094
191: ok 8095
191: ok 8096
191: ok 8097
191: ok 8098
191: ok 8099
191: ok 8100
191: ok 8101
191: ok 8102
191: ok 8103
191: ok 8104
191: ok 8105
191: ok 8106
191: ok 8107
191: ok 8108
191: ok 8109
191: ok 8110
191: ok 8111
191: ok 8112
191: ok 8113
191: ok 8114
191: ok 8115
191: ok 8116
191: ok 8117
191: ok 8118
191: ok 8119
191: ok 8120
191: ok 8121
191: ok 8122
191: ok 8123
191: ok 8124
191: ok 8125
191: ok 8126
191: ok 8127
191: ok 8128
191: ok 8129
191: ok 8130
191: ok 8131
191: ok 8132
191: ok 8133
191: ok 8134
191: ok 8135
191: ok 8136
191: ok 8137
191: ok 8138
191: ok 8139
191: ok 8140
191: ok 8141
191: ok 8142
191: ok 8143
191: ok 8144
191: ok 8145
191: ok 8146
191: ok 8147
191: ok 8148
191: ok 8149
191: ok 8150
191: ok 8151
191: ok 8152
191: ok 8153
191: ok 8154
191: ok 8155
191: ok 8156
191: ok 8157
191: ok 8158
191: ok 8159
191: ok 8160
191: ok 8161
191: ok 8162
191: ok 8163
191: ok 8164
191: ok 8165
191: ok 8166
191: ok 8167
191: ok 8168
191: ok 8169
191: ok 8170
191: ok 8171
191: ok 8172
191: ok 8173
191: ok 8174
191: ok 8175
191: ok 8176
191: ok 8177
191: ok 8178
191: ok 8179
191: ok 8180
191: ok 8181
191: ok 8182
191: ok 8183
191: ok 8184
191: ok 8185
191: ok 8186
191: ok 8187
191: ok 8188
191: ok 8189
191: ok 8190
191: ok 8191
191: ok 8192
191: ok 8193
191: ok 8194
191: ok 8195
191: ok 8196
191: ok 8197
191: ok 8198
191: ok 8199
191: ok 8200
191: ok 8201
191: ok 8202
191: ok 8203
191: ok 8204
191: ok 8205
191: ok 8206
191: ok 8207
191: ok 8208
191: ok 8209
191: ok 8210
191: ok 8211
191: ok 8212
191: ok 8213
191: ok 8214
191: ok 8215
191: ok 8216
191: ok 8217
191: ok 8218
191: ok 8219
191: ok 8220
191: ok 8221
191: ok 8222
191: ok 8223
191: ok 8224
191: ok 8225
191: ok 8226
191: ok 8227
191: ok 8228
191: ok 8229
191: ok 8230
191: ok 8231
191: ok 8232
191: ok 8233
191: ok 8234
191: ok 8235
191: ok 8236
191: ok 8237
191: ok 8238
191: ok 8239
191: ok 8240
191: ok 8241
191: ok 8242
191: ok 8243
191: ok 8244
191: ok 8245
191: ok 8246
191: ok 8247
191: ok 8248
191: ok 8249
191: ok 8250
191: ok 8251
191: ok 8252
191: ok 8253
191: ok 8254
191: ok 8255
191: ok 8256
191: ok 8257
191: ok 8258
191: ok 8259
191: ok 8260
191: ok 8261
191: ok 8262
191: ok 8263
191: ok 8264
191: ok 8265
191: ok 8266
191: ok 8267
191: ok 8268
191: ok 8269
191: ok 8270
191: ok 8271
191: ok 8272
191: ok 8273
191: ok 8274
191: ok 8275
191: ok 8276
191: ok 8277
191: ok 8278
191: ok 8279
191: ok 8280
191: ok 8281
191: ok 8282
191: ok 8283
191: ok 8284
191: ok 8285
191: ok 8286
191: ok 8287
191: ok 8288
191: ok 8289
191: ok 8290
191: ok 8291
191: ok 8292
191: ok 8293
191: ok 8294
191: ok 8295
191: ok 8296
191: ok 8297
191: ok 8298
191: ok 8299
191: ok 8300
191: ok 8301
191: ok 8302
191: ok 8303
191: ok 8304
191: ok 8305
191: ok 8306
191: ok 8307
191: ok 8308
191: ok 8309
191: ok 8310
191: ok 8311
191: ok 8312
191: ok 8313
191: ok 8314
191: ok 8315
191: ok 8316
191: ok 8317
191: ok 8318
191: ok 8319
191: ok 8320
191: ok 8321
191: ok 8322
191: ok 8323
191: ok 8324
191: ok 8325
191: ok 8326
191: ok 8327
191: ok 8328
191: ok 8329
191: ok 8330
191: ok 8331
191: ok 8332
191: ok 8333
191: ok 8334
191: ok 8335
191: ok 8336
191: ok 8337
191: ok 8338
191: ok 8339
191: ok 8340
191: ok 8341
191: ok 8342
191: ok 8343
191: ok 8344
191: ok 8345
191: ok 8346
191: ok 8347
191: ok 8348
191: ok 8349
191: ok 8350
191: ok 8351
191: ok 8352
191: ok 8353
191: ok 8354
191: ok 8355
191: ok 8356
191: ok 8357
191: ok 8358
191: ok 8359
191: ok 8360
191: ok 8361
191: ok 8362
191: ok 8363
191: ok 8364
191: ok 8365
191: ok 8366
191: ok 8367
191: ok 8368
191: ok 8369
191: ok 8370
191: ok 8371
191: ok 8372
191: ok 8373
191: ok 8374
191: ok 8375
191: ok 8376
191: ok 8377
191: ok 8378
191: ok 8379
191: ok 8380
191: ok 8381
191: ok 8382
191: ok 8383
191: ok 8384
191: ok 8385
191: ok 8386
191: ok 8387
191: ok 8388
191: ok 8389
191: ok 8390
191: ok 8391
191: ok 8392
191: ok 8393
191: ok 8394
191: ok 8395
191: ok 8396
191: ok 8397
191: ok 8398
191: ok 8399
191: ok 8400
191: ok 8401
191: ok 8402
191: ok 8403
191: ok 8404
191: ok 8405
191: ok 8406
191: ok 8407
191: ok 8408
191: ok 8409
191: ok 8410
191: ok 8411
191: ok 8412
191: ok 8413
191: ok 8414
191: ok 8415
191: ok 8416
191: ok 8417
191: ok 8418
191: ok 8419
191: ok 8420
191: ok 8421
191: ok 8422
191: ok 8423
191: ok 8424
191: ok 8425
191: ok 8426
191: ok 8427
191: ok 8428
191: ok 8429
191: ok 8430
191: ok 8431
191: ok 8432
191: ok 8433
191: ok 8434
191: ok 8435
191: ok 8436
191: ok 8437
191: ok 8438
191: ok 8439
191: ok 8440
191: ok 8441
191: ok 8442
191: ok 8443
191: ok 8444
191: ok 8445
191: ok 8446
191: ok 8447
191: ok 8448
191: ok 8449
191: ok 8450
191: ok 8451
191: ok 8452
191: ok 8453
191: ok 8454
191: ok 8455
191: ok 8456
191: ok 8457
191: ok 8458
191: ok 8459
191: ok 8460
191: ok 8461
191: ok 8462
191: ok 8463
191: ok 8464
191: ok 8465
191: ok 8466
191: ok 8467
191: ok 8468
191: ok 8469
191: ok 8470
191: ok 8471
191: ok 8472
191: ok 8473
191: ok 8474
191: ok 8475
191: ok 8476
191: ok 8477
191: ok 8478
191: ok 8479
191: ok 8480
191: ok 8481
191: ok 8482
191: ok 8483
191: ok 8484
191: ok 8485
191: ok 8486
191: ok 8487
191: ok 8488
191: ok 8489
191: ok 8490
191: ok 8491
191: ok 8492
191: ok 8493
191: ok 8494
191: ok 8495
191: ok 8496
191: ok 8497
191: ok 8498
191: ok 8499
191: ok 8500
191: ok 8501
191: ok 8502
191: ok 8503
191: ok 8504
191: ok 8505
191: ok 8506
191: ok 8507
191: ok 8508
191: ok 8509
191: ok 8510
191: ok 8511
191: ok 8512
191: ok 8513
191: ok 8514
191: ok 8515
191: ok 8516
191: ok 8517
191: ok 8518
191: ok 8519
191: ok 8520
191: ok 8521
191: ok 8522
191: ok 8523
191: ok 8524
191: ok 8525
191: ok 8526
191: ok 8527
191: ok 8528
191: ok 8529
191: ok 8530
191: ok 8531
191: ok 8532
191: ok 8533
191: ok 8534
191: ok 8535
191: ok 8536
191: ok 8537
191: ok 8538
191: ok 8539
191: ok 8540
191: ok 8541
191: ok 8542
191: ok 8543
191: ok 8544
191: ok 8545
191: ok 8546
191: ok 8547
191: ok 8548
191: ok 8549
191: ok 8550
191: ok 8551
191: ok 8552
191: ok 8553
191: ok 8554
191: ok 8555
191: ok 8556
191: ok 8557
191: ok 8558
191: ok 8559
191: ok 8560
191: ok 8561
191: ok 8562
191: ok 8563
191: ok 8564
191: ok 8565
191: ok 8566
191: ok 8567
191: ok 8568
191: ok 8569
191: ok 8570
191: ok 8571
191: ok 8572
191: ok 8573
191: ok 8574
191: ok 8575
191: ok 8576
191: ok 8577
191: ok 8578
191: ok 8579
191: ok 8580
191: ok 8581
191: ok 8582
191: ok 8583
191: ok 8584
191: ok 8585
191: ok 8586
191: ok 8587
191: ok 8588
191: ok 8589
191: ok 8590
191: ok 8591
191: ok 8592
191: ok 8593
191: ok 8594
191: ok 8595
191: ok 8596
191: ok 8597
191: ok 8598
191: ok 8599
191: ok 8600
191: ok 8601
191: ok 8602
191: ok 8603
191: ok 8604
191: ok 8605
191: ok 8606
191: ok 8607
191: ok 8608
191: ok 8609
191: ok 8610
191: ok 8611
191: ok 8612
191: ok 8613
191: ok 8614
191: ok 8615
191: ok 8616
191: ok 8617
191: ok 8618
191: ok 8619
191: ok 8620
191: ok 8621
191: ok 8622
191: ok 8623
191: ok 8624
191: ok 8625
191: ok 8626
191: ok 8627
191: ok 8628
191: ok 8629
191: ok 8630
191: ok 8631
191: ok 8632
191: ok 8633
191: ok 8634
191: ok 8635
191: ok 8636
191: ok 8637
191: ok 8638
191: ok 8639
191: ok 8640
191: ok 8641
191: ok 8642
191: ok 8643
191: ok 8644
191: ok 8645
191: ok 8646
191: ok 8647
191: ok 8648
191: ok 8649
191: ok 8650
191: ok 8651
191: ok 8652
191: ok 8653
191: ok 8654
191: ok 8655
191: ok 8656
191: ok 8657
191: ok 8658
191: ok 8659
191: ok 8660
191: ok 8661
191: ok 8662
191: ok 8663
191: ok 8664
191: ok 8665
191: ok 8666
191: ok 8667
191: ok 8668
191: ok 8669
191: ok 8670
191: ok 8671
191: ok 8672
191: ok 8673
191: ok 8674
191: ok 8675
191: ok 8676
191: ok 8677
191: ok 8678
191: ok 8679
191: ok 8680
191: ok 8681
191: ok 8682
191: ok 8683
191: ok 8684
191: ok 8685
191: ok 8686
191: ok 8687
191: ok 8688
191: ok 8689
191: ok 8690
191: ok 8691
191: ok 8692
191: ok 8693
191: ok 8694
191: ok 8695
191: ok 8696
191: ok 8697
191: ok 8698
191: ok 8699
191: ok 8700
191: ok 8701
191: ok 8702
191: ok 8703
191: ok 8704
191: ok 8705
191: ok 8706
191: ok 8707
191: ok 8708
191: ok 8709
191: ok 8710
191: ok 8711
191: ok 8712
191: ok 8713
191: ok 8714
191: ok 8715
191: ok 8716
191: ok 8717
191: ok 8718
191: ok 8719
191: ok 8720
191: ok 8721
191: ok 8722
191: ok 8723
191: ok 8724
191: ok 8725
191: ok 8726
191: ok 8727
191: ok 8728
191: ok 8729
191: ok 8730
191: ok 8731
191: ok 8732
191: ok 8733
191: ok 8734
191: ok 8735
191: ok 8736
191: ok 8737
191: ok 8738
191: ok 8739
191: ok 8740
191: ok 8741
191: ok 8742
191: ok 8743
191: ok 8744
191: ok 8745
191: ok 8746
191: ok 8747
191: ok 8748
191: ok 8749
191: ok 8750
191: ok 8751
191: ok 8752
191: ok 8753
191: ok 8754
191: ok 8755
191: ok 8756
191: ok 8757
191: ok 8758
191: ok 8759
191: ok 8760
191: ok 8761
191: ok 8762
191: ok 8763
191: ok 8764
191: ok 8765
191: ok 8766
191: ok 8767
191: ok 8768
191: ok 8769
191: ok 8770
191: ok 8771
191: ok 8772
191: ok 8773
191: ok 8774
191: ok 8775
191: ok 8776
191: ok 8777
191: ok 8778
191: ok 8779
191: ok 8780
191: ok 8781
191: ok 8782
191: ok 8783
191: ok 8784
191: ok 8785
191: ok 8786
191: ok 8787
191: ok 8788
191: ok 8789
191: ok 8790
191: ok 8791
191: ok 8792
191: ok 8793
191: ok 8794
191: ok 8795
191: ok 8796
191: ok 8797
191: ok 8798
191: ok 8799
191: ok 8800
191: ok 8801
191: ok 8802
191: ok 8803
191: ok 8804
191: ok 8805
191: ok 8806
191: ok 8807
191: ok 8808
191: ok 8809
191: ok 8810
191: ok 8811
191: ok 8812
191: ok 8813
191: ok 8814
191: ok 8815
191: ok 8816
191: ok 8817
191: ok 8818
191: ok 8819
191: ok 8820
191: ok 8821
191: ok 8822
191: ok 8823
191: ok 8824
191: ok 8825
191: ok 8826
191: ok 8827
191: ok 8828
191: ok 8829
191: ok 8830
191: ok 8831
191: ok 8832
191: ok 8833
191: ok 8834
191: ok 8835
191: ok 8836
191: ok 8837
191: ok 8838
191: ok 8839
191: ok 8840
191: ok 8841
191: ok 8842
191: ok 8843
191: ok 8844
191: ok 8845
191: ok 8846
191: ok 8847
191: ok 8848
191: ok 8849
191: ok 8850
191: ok 8851
191: ok 8852
191: ok 8853
191: ok 8854
191: ok 8855
191: ok 8856
191: ok 8857
191: ok 8858
191: ok 8859
191: ok 8860
191: ok 8861
191: ok 8862
191: ok 8863
191: ok 8864
191: ok 8865
191: ok 8866
191: ok 8867
191: ok 8868
191: ok 8869
191: ok 8870
191: ok 8871
191: ok 8872
191: ok 8873
191: ok 8874
191: ok 8875
191: ok 8876
191: ok 8877
191: ok 8878
191: ok 8879
191: ok 8880
191: ok 8881
191: ok 8882
191: ok 8883
191: ok 8884
191: ok 8885
191: ok 8886
191: ok 8887
191: ok 8888
191: ok 8889
191: ok 8890
191: ok 8891
191: ok 8892
191: ok 8893
191: ok 8894
191: ok 8895
191: ok 8896
191: ok 8897
191: ok 8898
191: ok 8899
191: ok 8900
191: ok 8901
191: ok 8902
191: ok 8903
191: ok 8904
191: ok 8905
191: ok 8906
191: ok 8907
191: ok 8908
191: ok 8909
191: ok 8910
191: ok 8911
191: ok 8912
191: ok 8913
191: ok 8914
191: ok 8915
191: ok 8916
191: ok 8917
191: ok 8918
191: ok 8919
191: ok 8920
191: ok 8921
191: ok 8922
191: ok 8923
191: ok 8924
191: ok 8925
191: ok 8926
191: ok 8927
191: ok 8928
191: ok 8929
191: ok 8930
191: ok 8931
191: ok 8932
191: ok 8933
191: ok 8934
191: ok 8935
191: ok 8936
191: ok 8937
191: ok 8938
191: ok 8939
191: ok 8940
191: ok 8941
191: ok 8942
191: ok 8943
191: ok 8944
191: ok 8945
191: ok 8946
191: ok 8947
191: ok 8948
191: ok 8949
191: ok 8950
191: ok 8951
191: ok 8952
191: ok 8953
191: ok 8954
191: ok 8955
191: ok 8956
191: ok 8957
191: ok 8958
191: ok 8959
191: ok 8960
191: ok 8961
191: ok 8962
191: ok 8963
191: ok 8964
191: ok 8965
191: ok 8966
191: ok 8967
191: ok 8968
191: ok 8969
191: ok 8970
191: ok 8971
191: ok 8972
191: ok 8973
191: ok 8974
191: ok 8975
191: ok 8976
191: ok 8977
191: ok 8978
191: ok 8979
191: ok 8980
191: ok 8981
191: ok 8982
191: ok 8983
191: ok 8984
191: ok 8985
191: ok 8986
191: ok 8987
191: ok 8988
191: ok 8989
191: ok 8990
191: ok 8991
191: ok 8992
191: ok 8993
191: ok 8994
191: ok 8995
191: ok 8996
191: ok 8997
191: ok 8998
191: ok 8999
191: ok 9000
191: ok 9001
191: ok 9002
191: ok 9003
191: ok 9004
191: ok 9005
191: ok 9006
191: ok 9007
191: ok 9008
191: ok 9009
191: ok 9010
191: ok 9011
191: ok 9012
191: ok 9013
191: ok 9014
191: ok 9015
191: ok 9016
191: ok 9017
191: ok 9018
191: ok 9019
191: ok 9020
191: ok 9021
191: ok 9022
191: ok 9023
191: ok 9024
191: ok 9025
191: ok 9026
191: ok 9027
191: ok 9028
191: ok 9029
191: ok 9030
191: ok 9031
191: ok 9032
191: ok 9033
191: ok 9034
191: ok 9035
191: ok 9036
191: ok 9037
191: ok 9038
191: ok 9039
191: ok 9040
191: ok 9041
191: ok 9042
191: ok 9043
191: ok 9044
191: ok 9045
191: ok 9046
191: ok 9047
191: ok 9048
191: ok 9049
191: ok 9050
191: ok 9051
191: ok 9052
191: ok 9053
191: ok 9054
191: ok 9055
191: ok 9056
191: ok 9057
191: ok 9058
191: ok 9059
191: ok 9060
191: ok 9061
191: ok 9062
191: ok 9063
191: ok 9064
191: ok 9065
191: ok 9066
191: ok 9067
191: ok 9068
191: ok 9069
191: ok 9070
191: ok 9071
191: ok 9072
191: ok 9073
191: ok 9074
191: ok 9075
191: ok 9076
191: ok 9077
191: ok 9078
191: ok 9079
191: ok 9080
191: ok 9081
191: ok 9082
191: ok 9083
191: ok 9084
191: ok 9085
191: ok 9086
191: ok 9087
191: ok 9088
191: ok 9089
191: ok 9090
191: ok 9091
191: ok 9092
191: ok 9093
191: ok 9094
191: ok 9095
191: ok 9096
191: ok 9097
191: ok 9098
191: ok 9099
191: ok 9100
191: ok 9101
191: ok 9102
191: ok 9103
191: ok 9104
191: ok 9105
191: ok 9106
191: ok 9107
191: ok 9108
191: ok 9109
191: ok 9110
191: ok 9111
191: ok 9112
191: ok 9113
191: ok 9114
191: ok 9115
191: ok 9116
191: ok 9117
191: ok 9118
191: ok 9119
191: ok 9120
191: ok 9121
191: ok 9122
191: ok 9123
191: ok 9124
191: ok 9125
191: ok 9126
191: ok 9127
191: ok 9128
191: ok 9129
191: ok 9130
191: ok 9131
191: ok 9132
191: ok 9133
191: ok 9134
191: ok 9135
191: ok 9136
191: ok 9137
191: ok 9138
191: ok 9139
191: ok 9140
191: ok 9141
191: ok 9142
191: ok 9143
191: ok 9144
191: ok 9145
191: ok 9146
191: ok 9147
191: ok 9148
191: ok 9149
191: ok 9150
191: ok 9151
191: ok 9152
191: ok 9153
191: ok 9154
191: ok 9155
191: ok 9156
191: ok 9157
191: ok 9158
191: ok 9159
191: ok 9160
191: ok 9161
191: ok 9162
191: ok 9163
191: ok 9164
191: ok 9165
191: ok 9166
191: ok 9167
191: ok 9168
191: ok 9169
191: ok 9170
191: ok 9171
191: ok 9172
191: ok 9173
191: ok 9174
191: ok 9175
191: ok 9176
191: ok 9177
191: ok 9178
191: ok 9179
191: ok 9180
191: ok 9181
191: ok 9182
191: ok 9183
191: ok 9184
191: ok 9185
191: ok 9186
191: ok 9187
191: ok 9188
191: ok 9189
191: ok 9190
191: ok 9191
191: ok 9192
191: ok 9193
191: ok 9194
191: ok 9195
191: ok 9196
191: ok 9197
191: ok 9198
191: ok 9199
191: ok 9200
191: ok 9201
191: ok 9202
191: ok 9203
191: ok 9204
191: ok 9205
191: ok 9206
191: ok 9207
191: ok 9208
191: ok 9209
191: ok 9210
191: ok 9211
191: ok 9212
191: ok 9213
191: ok 9214
191: ok 9215
191: ok 9216
191: ok 9217
191: ok 9218
191: ok 9219
191: ok 9220
191: ok 9221
191: ok 9222
191: ok 9223
191: ok 9224
191: ok 9225
191: ok 9226
191: ok 9227
191: ok 9228
191: ok 9229
191: ok 9230
191: ok 9231
191: ok 9232
191: ok 9233
191: ok 9234
191: ok 9235
191: ok 9236
191: ok 9237
191: ok 9238
191: ok 9239
191: ok 9240
191: ok 9241
191: ok 9242
191: ok 9243
191: ok 9244
191: ok 9245
191: ok 9246
191: ok 9247
191: ok 9248
191: ok 9249
191: ok 9250
191: ok 9251
191: ok 9252
191: ok 9253
191: ok 9254
191: ok 9255
191: ok 9256
191: ok 9257
191: ok 9258
191: ok 9259
191: ok 9260
191: ok 9261
191: ok 9262
191: ok 9263
191: ok 9264
191: ok 9265
191: ok 9266
191: ok 9267
191: ok 9268
191: ok 9269
191: ok 9270
191: ok 9271
191: ok 9272
191: ok 9273
191: ok 9274
191: ok 9275
191: ok 9276
191: ok 9277
191: ok 9278
191: ok 9279
191: ok 9280
191: ok 9281
191: ok 9282
191: ok 9283
191: ok 9284
191: ok 9285
191: ok 9286
191: ok 9287
191: ok 9288
191: ok 9289
191: ok 9290
191: ok 9291
191: ok 9292
191: ok 9293
191: ok 9294
191: ok 9295
191: ok 9296
191: ok 9297
191: ok 9298
191: ok 9299
191: ok 9300
191: ok 9301
191: ok 9302
191: ok 9303
191: ok 9304
191: ok 9305
191: ok 9306
191: ok 9307
191: ok 9308
191: ok 9309
191: ok 9310
191: ok 9311
191: ok 9312
191: ok 9313
191: ok 9314
191: ok 9315
191: ok 9316
191: ok 9317
191: ok 9318
191: ok 9319
191: ok 9320
191: ok 9321
191: ok 9322
191: ok 9323
191: ok 9324
191: ok 9325
191: ok 9326
191: ok 9327
191: ok 9328
191: ok 9329
191: ok 9330
191: ok 9331
191: ok 9332
191: ok 9333
191: ok 9334
191: ok 9335
191: ok 9336
191: ok 9337
191: ok 9338
191: ok 9339
191: ok 9340
191: ok 9341
191: ok 9342
191: ok 9343
191: ok 9344
191: ok 9345
191: ok 9346
191: ok 9347
191: ok 9348
191: ok 9349
191: ok 9350
191: ok 9351
191: ok 9352
191: ok 9353
191: ok 9354
191: ok 9355
191: ok 9356
191: ok 9357
191: ok 9358
191: ok 9359
191: ok 9360
191: ok 9361
191: ok 9362
191: ok 9363
191: ok 9364
191: ok 9365
191: ok 9366
191: ok 9367
191: ok 9368
191: ok 9369
191: ok 9370
191: ok 9371
191: ok 9372
191: ok 9373
191: ok 9374
191: ok 9375
191: ok 9376
191: ok 9377
191: ok 9378
191: ok 9379
191: ok 9380
191: ok 9381
191: ok 9382
191: ok 9383
191: ok 9384
191: ok 9385
191: ok 9386
191: ok 9387
191: ok 9388
191: ok 9389
191: ok 9390
191: ok 9391
191: ok 9392
191: ok 9393
191: ok 9394
191: ok 9395
191: ok 9396
191: ok 9397
191: ok 9398
191: ok 9399
191: ok 9400
191: ok 9401
191: ok 9402
191: ok 9403
191: ok 9404
191: ok 9405
191: ok 9406
191: ok 9407
191: ok 9408
191: ok 9409
191: ok 9410
191: ok 9411
191: ok 9412
191: ok 9413
191: ok 9414
191: ok 9415
191: ok 9416
191: ok 9417
191: ok 9418
191: ok 9419
191: ok 9420
191: ok 9421
191: ok 9422
191: ok 9423
191: ok 9424
191: ok 9425
191: ok 9426
191: ok 9427
191: ok 9428
191: ok 9429
191: ok 9430
191: ok 9431
191: ok 9432
191: ok 9433
191: ok 9434
191: ok 9435
191: ok 9436
191: ok 9437
191: ok 9438
191: ok 9439
191: ok 9440
191: ok 9441
191: ok 9442
191: ok 9443
191: ok 9444
191: ok 9445
191: ok 9446
191: ok 9447
191: ok 9448
191: ok 9449
191: ok 9450
191: ok 9451
191: ok 9452
191: ok 9453
191: ok 9454
191: ok 9455
191: ok 9456
191: ok 9457
191: ok 9458
191: ok 9459
191: ok 9460
191: ok 9461
191: ok 9462
191: ok 9463
191: ok 9464
191: ok 9465
191: ok 9466
191: ok 9467
191: ok 9468
191: ok 9469
191: ok 9470
191: ok 9471
191: ok 9472
191: ok 9473
191: ok 9474
191: ok 9475
191: ok 9476
191: ok 9477
191: ok 9478
191: ok 9479
191: ok 9480
191: ok 9481
191: ok 9482
191: ok 9483
191: ok 9484
191: ok 9485
191: ok 9486
191: ok 9487
191: ok 9488
191: ok 9489
191: ok 9490
191: ok 9491
191: ok 9492
191: ok 9493
191: ok 9494
191: ok 9495
191: ok 9496
191: ok 9497
191: ok 9498
191: ok 9499
191: ok 9500
191: ok 9501
191: ok 9502
191: ok 9503
191: ok 9504
191: ok 9505
191: ok 9506
191: ok 9507
191: ok 9508
191: ok 9509
191: ok 9510
191: ok 9511
191: ok 9512
191: ok 9513
191: ok 9514
191: ok 9515
191: ok 9516
191: ok 9517
191: ok 9518
191: ok 9519
191: ok 9520
191: ok 9521
191: ok 9522
191: ok 9523
191: ok 9524
191: ok 9525
191: ok 9526
191: ok 9527
191: ok 9528
191: ok 9529
191: ok 9530
191: ok 9531
191: ok 9532
191: ok 9533
191: ok 9534
191: ok 9535
191: ok 9536
191: ok 9537
191: ok 9538
191: ok 9539
191: ok 9540
191: ok 9541
191: ok 9542
191: ok 9543
191: ok 9544
191: ok 9545
191: ok 9546
191: ok 9547
191: ok 9548
191: ok 9549
191: ok 9550
191: ok 9551
191: ok 9552
191: ok 9553
191: ok 9554
191: ok 9555
191: ok 9556
191: ok 9557
191: ok 9558
191: ok 9559
191: ok 9560
191: ok 9561
191: ok 9562
191: ok 9563
191: ok 9564
191: ok 9565
191: ok 9566
191: ok 9567
191: ok 9568
191: ok 9569
191: ok 9570
191: ok 9571
191: ok 9572
191: ok 9573
191: ok 9574
191: ok 9575
191: ok 9576
191: ok 9577
191: ok 9578
191: ok 9579
191: ok 9580
191: ok 9581
191: ok 9582
191: ok 9583
191: ok 9584
191: ok 9585
191: ok 9586
191: ok 9587
191: ok 9588
191: ok 9589
191: ok 9590
191: ok 9591
191: ok 9592
191: ok 9593
191: ok 9594
191: ok 9595
191: ok 9596
191: ok 9597
191: ok 9598
191: ok 9599
191: ok 9600
191: ok 9601
191: ok 9602
191: ok 9603
191: ok 9604
191: ok 9605
191: ok 9606
191: ok 9607
191: ok 9608
191: ok 9609
191: ok 9610
191: ok 9611
191: ok 9612
191: ok 9613
191: ok 9614
191: ok 9615
191: ok 9616
191: ok 9617
191: ok 9618
191: ok 9619
191: ok 9620
191: ok 9621
191: ok 9622
191: ok 9623
191: ok 9624
191: ok 9625
191: ok 9626
191: ok 9627
191: ok 9628
191: ok 9629
191: ok 9630
191: ok 9631
191: ok 9632
191: ok 9633
191: ok 9634
191: ok 9635
191: ok 9636
191: ok 9637
191: ok 9638
191: ok 9639
191: ok 9640
191: ok 9641
191: ok 9642
191: ok 9643
191: ok 9644
191: ok 9645
191: ok 9646
191: ok 9647
191: ok 9648
191: ok 9649
191: ok 9650
191: ok 9651
191: ok 9652
191: ok 9653
191: ok 9654
191: ok 9655
191: ok 9656
191: ok 9657
191: ok 9658
191: ok 9659
191: ok 9660
191: ok 9661
191: ok 9662
191: ok 9663
191: ok 9664
191: ok 9665
191: ok 9666
191: ok 9667
191: ok 9668
191: ok 9669
191: ok 9670
191: ok 9671
191: ok 9672
191: ok 9673
191: ok 9674
191: ok 9675
191: ok 9676
191: ok 9677
191: ok 9678
191: ok 9679
191: ok 9680
191: ok 9681
191: ok 9682
191: ok 9683
191: ok 9684
191: ok 9685
191: ok 9686
191: ok 9687
191: ok 9688
191: ok 9689
191: ok 9690
191: ok 9691
191: ok 9692
191: ok 9693
191: ok 9694
191: ok 9695
191: ok 9696
191: ok 9697
191: ok 9698
191: ok 9699
191: ok 9700
191: ok 9701
191: ok 9702
191: ok 9703
191: ok 9704
191: ok 9705
191: ok 9706
191: ok 9707
191: ok 9708
191: ok 9709
191: ok 9710
191: ok 9711
191: ok 9712
191: ok 9713
191: ok 9714
191: ok 9715
191: ok 9716
191: ok 9717
191: ok 9718
191: ok 9719
191: ok 9720
191: ok 9721
191: ok 9722
191: ok 9723
191: ok 9724
191: ok 9725
191: ok 9726
191: ok 9727
191: ok 9728
191: ok 9729
191: ok 9730
191: ok 9731
191: ok 9732
191: ok 9733
191: ok 9734
191: ok 9735
191: ok 9736
191: ok 9737
191: ok 9738
191: ok 9739
191: ok 9740
191: ok 9741
191: ok 9742
191: ok 9743
191: ok 9744
191: ok 9745
191: ok 9746
191: ok 9747
191: ok 9748
191: ok 9749
191: ok 9750
191: ok 9751
191: ok 9752
191: ok 9753
191: ok 9754
191: ok 9755
191: ok 9756
191: ok 9757
191: ok 9758
191: ok 9759
191: ok 9760
191: ok 9761
191: ok 9762
191: ok 9763
191: ok 9764
191: ok 9765
191: ok 9766
191: ok 9767
191: ok 9768
191: ok 9769
191: ok 9770
191: ok 9771
191: ok 9772
191: ok 9773
191: ok 9774
191: ok 9775
191: ok 9776
191: ok 9777
191: ok 9778
191: ok 9779
191: ok 9780
191: ok 9781
191: ok 9782
191: ok 9783
191: ok 9784
191: ok 9785
191: ok 9786
191: ok 9787
191: ok 9788
191: ok 9789
191: ok 9790
191: ok 9791
191: ok 9792
191: ok 9793
191: ok 9794
191: ok 9795
191: ok 9796
191: ok 9797
191: ok 9798
191: ok 9799
191: ok 9800
191: ok 9801
191: ok 9802
191: ok 9803
191: ok 9804
191: ok 9805
191: ok 9806
191: ok 9807
191: ok 9808
191: ok 9809
191: ok 9810
191: ok 9811
191: ok 9812
191: ok 9813
191: ok 9814
191: ok 9815
191: ok 9816
191: ok 9817
191: ok 9818
191: ok 9819
191: ok 9820
191: ok 9821
191: ok 9822
191: ok 9823
191: ok 9824
191: ok 9825
191: ok 9826
191: ok 9827
191: ok 9828
191: ok 9829
191: ok 9830
191: ok 9831
191: ok 9832
191: ok 9833
191: ok 9834
191: ok 9835
191: ok 9836
191: ok 9837
191: ok 9838
191: ok 9839
191: ok 9840
191: ok 9841
191: ok 9842
191: ok 9843
191: ok 9844
191: ok 9845
191: ok 9846
191: ok 9847
191: ok 9848
191: ok 9849
191: ok 9850
191: ok 9851
191: ok 9852
191: ok 9853
191: ok 9854
191: ok 9855
191: ok 9856
191: ok 9857
191: ok 9858
191: ok 9859
191: ok 9860
191: ok 9861
191: ok 9862
191: ok 9863
191: ok 9864
191: ok 9865
191: ok 9866
191: ok 9867
191: ok 9868
191: ok 9869
191: ok 9870
191: ok 9871
191: ok 9872
191: ok 9873
191: ok 9874
191: ok 9875
191: ok 9876
191: ok 9877
191: ok 9878
191: ok 9879
191: ok 9880
191: ok 9881
191: ok 9882
191: ok 9883
191: ok 9884
191: ok 9885
191: ok 9886
191: ok 9887
191: ok 9888
191: ok 9889
191: ok 9890
191: ok 9891
191: ok 9892
191: ok 9893
191: ok 9894
191: ok 9895
191: ok 9896
191: ok 9897
191: ok 9898
191: ok 9899
191: ok 9900
191: ok 9901
191: ok 9902
191: ok 9903
191: ok 9904
191: ok 9905
191: ok 9906
191: ok 9907
191: ok 9908
191: ok 9909
191: ok 9910
191: ok 9911
191: ok 9912
191: ok 9913
191: ok 9914
191: ok 9915
191: ok 9916
191: ok 9917
191: ok 9918
191: ok 9919
191: ok 9920
191: ok 9921
191: ok 9922
191: ok 9923
191: ok 9924
191: ok 9925
191: ok 9926
191: ok 9927
191: ok 9928
191: ok 9929
191: ok 9930
191: ok 9931
191: ok 9932
191: ok 9933
191: ok 9934
191: ok 9935
191: ok 9936
191: ok 9937
191: ok 9938
191: ok 9939
191: ok 9940
191: ok 9941
191: ok 9942
191: ok 9943
191: ok 9944
191: ok 9945
191: ok 9946
191: ok 9947
191: ok 9948
191: ok 9949
191: ok 9950
191: ok 9951
191: ok 9952
191: ok 9953
191: ok 9954
191: ok 9955
191: ok 9956
191: ok 9957
191: ok 9958
191: ok 9959
191: ok 9960
191: ok 9961
191: ok 9962
191: ok 9963
191: ok 9964
191: ok 9965
191: ok 9966
191: ok 9967
191: ok 9968
191: ok 9969
191: ok 9970
191: ok 9971
191: ok 9972
191: ok 9973
191: ok 9974
191: ok 9975
191: ok 9976
191: ok 9977
191: ok 9978
191: ok 9979
191: ok 9980
191: ok 9981
191: ok 9982
191: ok 9983
191: ok 9984
191: ok 9985
191: ok 9986
191: ok 9987
191: ok 9988
191: ok 9989
191: ok 9990
191: ok 9991
191: ok 9992
191: ok 9993
191: ok 9994
191: ok 9995
191: ok 9996
191: ok 9997
191: ok 9998
191: ok 9999
191: ok 10000
191: ok 10001
191: ok 10002
191: ok 10003
191: ok 10004
191: ok 10005
191: ok 10006
191: ok 10007
191: ok 10008
191: ok 10009
191: ok 10010
191: ok 10011
191: ok 10012
191: ok 10013
191: ok 10014
191: ok 10015
191: ok 10016
191: ok 10017
191: ok 10018
191: ok 10019
191: ok 10020
191: ok 10021
191: ok 10022
191: ok 10023
191: ok 10024
191: ok 10025
191: ok 10026
191: ok 10027
191: ok 10028
191: ok 10029
191: ok 10030
191: ok 10031
191: ok 10032
191: ok 10033
191: ok 10034
191: ok 10035
191: ok 10036
191: ok 10037
191: ok 10038
191: ok 10039
191: ok 10040
191: ok 10041
191: ok 10042
191: ok 10043
191: ok 10044
191: ok 10045
191: ok 10046
191: ok 10047
191: ok 10048
191: ok 10049
191: ok 10050
191: ok 10051
191: ok 10052
191: ok 10053
191: ok 10054
191: ok 10055
191: ok 10056
191: ok 10057
191: ok 10058
191: ok 10059
191: ok 10060
191: ok 10061
191: ok 10062
191: ok 10063
191: ok 10064
191: ok 10065
191: ok 10066
191: ok 10067
191: ok 10068
191: ok 10069
191: ok 10070
191: ok 10071
191: ok 10072
191: ok 10073
191: ok 10074
191: ok 10075
191: ok 10076
191: ok 10077
191: ok 10078
191: ok 10079
191: ok 10080
191: ok 10081
191: ok 10082
191: ok 10083
191: ok 10084
191: ok 10085
191: ok 10086
191: ok 10087
191: ok 10088
191: ok 10089
191: ok 10090
191: ok 10091
191: ok 10092
191: ok 10093
191: ok 10094
191: ok 10095
191: ok 10096
191: ok 10097
191: ok 10098
191: ok 10099
191: ok 10100
191: ok 10101
191: ok 10102
191: ok 10103
191: ok 10104
191: ok 10105
191: ok 10106
191: ok 10107
191: ok 10108
191: ok 10109
191: ok 10110
191: ok 10111
191: ok 10112
191: ok 10113
191: ok 10114
191: ok 10115
191: ok 10116
191: ok 10117
191: ok 10118
191: ok 10119
191: ok 10120
191: ok 10121
191: ok 10122
191: ok 10123
191: ok 10124
191: ok 10125
191: ok 10126
191: ok 10127
191: ok 10128
191: ok 10129
191: ok 10130
191: ok 10131
191: ok 10132
191: ok 10133
191: ok 10134
191: ok 10135
191: ok 10136
191: ok 10137
191: ok 10138
191: ok 10139
191: ok 10140
191: ok 10141
191: ok 10142
191: ok 10143
191: ok 10144
191: ok 10145
191: ok 10146
191: ok 10147
191: ok 10148
191: ok 10149
191: ok 10150
191: ok 10151
191: ok 10152
191: ok 10153
191: ok 10154
191: ok 10155
191: ok 10156
191: ok 10157
191: ok 10158
191: ok 10159
191: ok 10160
191: ok 10161
191: ok 10162
191: ok 10163
191: ok 10164
191: ok 10165
191: ok 10166
191: ok 10167
191: ok 10168
191: ok 10169
191: ok 10170
191: ok 10171
191: ok 10172
191: ok 10173
191: ok 10174
191: ok 10175
191: ok 10176
191: ok 10177
191: ok 10178
191: ok 10179
191: ok 10180
191: ok 10181
191: ok 10182
191: ok 10183
191: ok 10184
191: ok 10185
191: ok 10186
191: ok 10187
191: ok 10188
191: ok 10189
191: ok 10190
191: ok 10191
191: ok 10192
191: ok 10193
191: ok 10194
191: ok 10195
191: ok 10196
191: ok 10197
191: ok 10198
191: ok 10199
191: ok 10200
191: ok 10201
191: ok 10202
191: ok 10203
191: ok 10204
191: ok 10205
191: ok 10206
191: ok 10207
191: ok 10208
191: ok 10209
191: ok 10210
191: ok 10211
191: ok 10212
191: ok 10213
191: ok 10214
191: ok 10215
191: ok 10216
191: ok 10217
191: ok 10218
191: ok 10219
191: ok 10220
191: ok 10221
191: ok 10222
191: ok 10223
191: ok 10224
191: ok 10225
191: ok 10226
191: ok 10227
191: ok 10228
191: ok 10229
191: ok 10230
191: ok 10231
191: ok 10232
191: ok 10233
191: ok 10234
191: ok 10235
191: ok 10236
191: ok 10237
191: ok 10238
191: ok 10239
191: ok 10240
191: ok 10241
191: ok 10242
191: ok 10243
191: ok 10244
191: ok 10245
191: ok 10246
191: ok 10247
191: ok 10248
191: ok 10249
191: ok 10250
191: ok 10251
191: ok 10252
191: ok 10253
191: ok 10254
191: ok 10255
191: ok 10256
191: ok 10257
191: ok 10258
191: ok 10259
191: ok 10260
191: ok 10261
191: ok 10262
191: ok 10263
191: ok 10264
191: ok 10265
191: ok 10266
191: ok 10267
191: ok 10268
191: ok 10269
191: ok 10270
191: ok 10271
191: ok 10272
191: ok 10273
191: ok 10274
191: ok 10275
191: ok 10276
191: ok 10277
191: ok 10278
191: ok 10279
191: ok 10280
191: ok 10281
191: ok 10282
191: ok 10283
191: ok 10284
191: ok 10285
191: ok 10286
191: ok 10287
191: ok 10288
191: ok 10289
191: ok 10290
191: ok 10291
191: ok 10292
191: ok 10293
191: ok 10294
191: ok 10295
191: ok 10296
191: ok 10297
191: ok 10298
191: ok 10299
191: ok 10300
191: ok 10301
191: ok 10302
191: ok 10303
191: ok 10304
191: ok 10305
191: ok 10306
191: ok 10307
191: ok 10308
191: ok 10309
191: ok 10310
191: ok 10311
191: ok 10312
191: ok 10313
191: ok 10314
191: ok 10315
191: ok 10316
191: ok 10317
191: ok 10318
191: ok 10319
191: ok 10320
191: ok 10321
191: ok 10322
191: ok 10323
191: ok 10324
191: ok 10325
191: ok 10326
191: ok 10327
191: ok 10328
191: ok 10329
191: ok 10330
191: ok 10331
191: ok 10332
191: ok 10333
191: ok 10334
191: ok 10335
191: ok 10336
191: ok 10337
191: ok 10338
191: ok 10339
191: ok 10340
191: ok 10341
191: ok 10342
191: ok 10343
191: ok 10344
191: ok 10345
191: ok 10346
191: ok 10347
191: ok 10348
191: ok 10349
191: ok 10350
191: ok 10351
191: ok 10352
191: ok 10353
191: ok 10354
191: ok 10355
191: ok 10356
191: ok 10357
191: ok 10358
191: ok 10359
191: ok 10360
191: ok 10361
191: ok 10362
191: ok 10363
191: ok 10364
191: ok 10365
191: ok 10366
191: ok 10367
191: ok 10368
191: ok 10369
191: ok 10370
191: ok 10371
191: ok 10372
191: ok 10373
191: ok 10374
191: ok 10375
191: ok 10376
191: ok 10377
191: ok 10378
191: ok 10379
191: ok 10380
191: ok 10381
191: ok 10382
191: ok 10383
191: ok 10384
191: ok 10385
191: ok 10386
191: ok 10387
191: ok 10388
191: ok 10389
191: ok 10390
191: ok 10391
191: ok 10392
191: ok 10393
191: ok 10394
191: ok 10395
191: ok 10396
191: ok 10397
191: ok 10398
191: ok 10399
191: ok 10400
191: ok 10401
191: ok 10402
191: ok 10403
191: ok 10404
191: ok 10405
191: ok 10406
191: ok 10407
191: ok 10408
191: ok 10409
191: ok 10410
191: ok 10411
191: ok 10412
191: ok 10413
191: ok 10414
191: ok 10415
191: ok 10416
191: ok 10417
191: ok 10418
191: ok 10419
191: ok 10420
191: ok 10421
191: ok 10422
191: ok 10423
191: ok 10424
191: ok 10425
191: ok 10426
191: ok 10427
191: ok 10428
191: ok 10429
191: ok 10430
191: ok 10431
191: ok 10432
191: ok 10433
191: ok 10434
191: ok 10435
191: ok 10436
191: ok 10437
191: ok 10438
191: ok 10439
191: ok 10440
191: ok 10441
191: ok 10442
191: ok 10443
191: ok 10444
191: ok 10445
191: ok 10446
191: ok 10447
191: ok 10448
191: ok 10449
191: ok 10450
191: ok 10451
191: ok 10452
191: ok 10453
191: ok 10454
191: ok 10455
191: ok 10456
191: ok 10457
191: ok 10458
191: ok 10459
191: ok 10460
191: ok 10461
191: ok 10462
191: ok 10463
191: ok 10464
191: ok 10465
191: ok 10466
191: ok 10467
191: ok 10468
191: ok 10469
191: ok 10470
191: ok 10471
191: ok 10472
191: ok 10473
191: ok 10474
191: ok 10475
191: ok 10476
191: ok 10477
191: ok 10478
191: ok 10479
191: ok 10480
191: ok 10481
191: ok 10482
191: ok 10483
191: ok 10484
191: ok 10485
191: ok 10486
191: ok 10487
191: ok 10488
191: ok 10489
191: ok 10490
191: ok 10491
191: ok 10492
191: ok 10493
191: ok 10494
191: ok 10495
191: ok 10496
191: ok 10497
191: ok 10498
191: ok 10499
191: ok 10500
191: ok 10501
191: ok 10502
191: ok 10503
191: ok 10504
191: ok 10505
191: ok 10506
191: ok 10507
191: ok 10508
191: ok 10509
191: ok 10510
191: ok 10511
191: ok 10512
191: ok 10513
191: ok 10514
191: ok 10515
191: ok 10516
191: ok 10517
191: ok 10518
191: ok 10519
191: ok 10520
191: ok 10521
191: ok 10522
191: ok 10523
191: ok 10524
191: ok 10525
191: ok 10526
191: ok 10527
191: ok 10528
191: ok 10529
191: ok 10530
191: ok 10531
191: ok 10532
191: ok 10533
191: ok 10534
191: ok 10535
191: ok 10536
191: ok 10537
191: ok 10538
191: ok 10539
191: ok 10540
191: ok 10541
191: ok 10542
191: ok 10543
191: ok 10544
191: ok 10545
191: ok 10546
191: ok 10547
191: ok 10548
191: ok 10549
191: ok 10550
191: ok 10551
191: ok 10552
191: ok 10553
191: ok 10554
191: ok 10555
191: ok 10556
191: ok 10557
191: ok 10558
191: ok 10559
191: ok 10560
191: ok 10561
191: ok 10562
191: ok 10563
191: ok 10564
191: ok 10565
191: ok 10566
191: ok 10567
191: ok 10568
191: ok 10569
191: ok 10570
191: ok 10571
191: ok 10572
191: ok 10573
191: ok 10574
191: ok 10575
191: ok 10576
191: ok 10577
191: ok 10578
191: ok 10579
191: ok 10580
191: ok 10581
191: ok 10582
191: ok 10583
191: ok 10584
191: ok 10585
191: ok 10586
191: ok 10587
191: ok 10588
191: ok 10589
191: ok 10590
191: ok 10591
191: ok 10592
191: ok 10593
191: ok 10594
191: ok 10595
191: ok 10596
191: ok 10597
191: ok 10598
191: ok 10599
191: ok 10600
191: ok 10601
191: ok 10602
191: ok 10603
191: ok 10604
191: ok 10605
191: ok 10606
191: ok 10607
191: ok 10608
191: ok 10609
191: ok 10610
191: ok 10611
191: ok 10612
191: ok 10613
191: ok 10614
191: ok 10615
191: ok 10616
191: ok 10617
191: ok 10618
191: ok 10619
191: ok 10620
191: ok 10621
191: ok 10622
191: ok 10623
191: ok 10624
191: ok 10625
191: ok 10626
191: ok 10627
191: ok 10628
191: ok 10629
191: ok 10630
191: ok 10631
191: ok 10632
191: ok 10633
191: ok 10634
191: ok 10635
191: ok 10636
191: ok 10637
191: ok 10638
191: ok 10639
191: ok 10640
191: ok 10641
191: ok 10642
191: ok 10643
191: ok 10644
191: ok 10645
191: ok 10646
191: ok 10647
191: ok 10648
191: ok 10649
191: ok 10650
191: ok 10651
191: ok 10652
191: ok 10653
191: ok 10654
191: ok 10655
191: ok 10656
191: ok 10657
191: ok 10658
191: ok 10659
191: ok 10660
191: ok 10661
191: ok 10662
191: ok 10663
191: ok 10664
191: ok 10665
191: ok 10666
191: ok 10667
191: ok 10668
191: ok 10669
191: ok 10670
191: ok 10671
191: ok 10672
191: ok 10673
191: ok 10674
191: ok 10675
191: ok 10676
191: ok 10677
191: ok 10678
191: ok 10679
191: ok 10680
191: ok 10681
191: ok 10682
191: ok 10683
191: ok 10684
191: ok 10685
191: ok 10686
191: ok 10687
191: ok 10688
191: ok 10689
191: ok 10690
191: ok 10691
191: ok 10692
191: ok 10693
191: ok 10694
191: ok 10695
191: ok 10696
191: ok 10697
191: ok 10698
191: ok 10699
191: ok 10700
191: ok 10701
191: ok 10702
191: ok 10703
191: ok 10704
191: ok 10705
191: ok 10706
191: ok 10707
191: ok 10708
191: ok 10709
191: ok 10710
191: ok 10711
191: ok 10712
191: ok 10713
191: ok 10714
191: ok 10715
191: ok 10716
191: ok 10717
191: ok 10718
191: ok 10719
191: ok 10720
191: ok 10721
191: ok 10722
191: ok 10723
191: ok 10724
191: ok 10725
191: ok 10726
191: ok 10727
191: ok 10728
191: ok 10729
191: ok 10730
191: ok 10731
191: ok 10732
191: ok 10733
191: ok 10734
191: ok 10735
191: ok 10736
191: ok 10737
191: ok 10738
191: ok 10739
191: ok 10740
191: ok 10741
191: ok 10742
191: ok 10743
191: ok 10744
191: ok 10745
191: ok 10746
191: ok 10747
191: ok 10748
191: ok 10749
191: ok 10750
191: ok 10751
191: ok 10752
191: ok 10753
191: ok 10754
191: ok 10755
191: ok 10756
191: ok 10757
191: ok 10758
191: ok 10759
191: ok 10760
191: ok 10761
191: ok 10762
191: ok 10763
191: ok 10764
191: ok 10765
191: ok 10766
191: ok 10767
191: ok 10768
191: ok 10769
191: ok 10770
191: ok 10771
191: ok 10772
191: ok 10773
191: ok 10774
191: ok 10775
191: ok 10776
191: ok 10777
191: ok 10778
191: ok 10779
191: ok 10780
191: ok 10781
191: ok 10782
191: ok 10783
191: ok 10784
191: ok 10785
191: ok 10786
191: ok 10787
191: ok 10788
191: ok 10789
191: ok 10790
191: ok 10791
191: ok 10792
191: ok 10793
191: ok 10794
191: ok 10795
191: ok 10796
191: ok 10797
191: ok 10798
191: ok 10799
191: ok 10800
191: ok 10801
191: ok 10802
191: ok 10803
191: ok 10804
191: ok 10805
191: ok 10806
191: ok 10807
191: ok 10808
191: ok 10809
191: ok 10810
191: ok 10811
191: ok 10812
191: ok 10813
191: ok 10814
191: ok 10815
191: ok 10816
191: ok 10817
191: ok 10818
191: ok 10819
191: ok 10820
191: ok 10821
191: ok 10822
191: ok 10823
191: ok 10824
191: ok 10825
191: ok 10826
191: ok 10827
191: ok 10828
191: ok 10829
191: ok 10830
191: ok 10831
191: ok 10832
191: ok 10833
191: ok 10834
191: ok 10835
191: ok 10836
191: ok 10837
191: ok 10838
191: ok 10839
191: ok 10840
191: ok 10841
191: ok 10842
191: ok 10843
191: ok 10844
191: ok 10845
191: ok 10846
191: ok 10847
191: ok 10848
191: ok 10849
191: ok 10850
191: ok 10851
191: ok 10852
191: ok 10853
191: ok 10854
191: ok 10855
191: ok 10856
191: ok 10857
191: ok 10858
191: ok 10859
191: ok 10860
191: ok 10861
191: ok 10862
191: ok 10863
191: ok 10864
191: ok 10865
191: ok 10866
191: ok 10867
191: ok 10868
191: ok 10869
191: ok 10870
191: ok 10871
191: ok 10872
191: ok 10873
191: ok 10874
191: ok 10875
191: ok 10876
191: ok 10877
191: ok 10878
191: ok 10879
191: ok 10880
191: ok 10881
191: ok 10882
191: ok 10883
191: ok 10884
191: ok 10885
191: ok 10886
191: ok 10887
191: ok 10888
191: ok 10889
191: ok 10890
191: ok 10891
191: ok 10892
191: ok 10893
191: ok 10894
191: ok 10895
191: ok 10896
191: ok 10897
191: ok 10898
191: ok 10899
191: ok 10900
191: ok 10901
191: ok 10902
191: ok 10903
191: ok 10904
191: ok 10905
191: ok 10906
191: ok 10907
191: ok 10908
191: ok 10909
191: ok 10910
191: ok 10911
191: ok 10912
191: ok 10913
191: ok 10914
191: ok 10915
191: ok 10916
191: ok 10917
191: ok 10918
191: ok 10919
191: ok 10920
191: ok 10921
191: ok 10922
191: ok 10923
191: ok 10924
191: ok 10925
191: ok 10926
191: ok 10927
191: ok 10928
191: ok 10929
191: ok 10930
191: ok 10931
191: ok 10932
191: ok 10933
191: ok 10934
191: ok 10935
191: ok 10936
191: ok 10937
191: ok 10938
191: ok 10939
191: ok 10940
191: ok 10941
191: ok 10942
191: ok 10943
191: ok 10944
191: ok 10945
191: ok 10946
191: ok 10947
191: ok 10948
191: ok 10949
191: ok 10950
191: ok 10951
191: ok 10952
191: ok 10953
191: ok 10954
191: ok 10955
191: ok 10956
191: ok 10957
191: ok 10958
191: ok 10959
191: ok 10960
191: ok 10961
191: ok 10962
191: ok 10963
191: ok 10964
191: ok 10965
191: ok 10966
191: ok 10967
191: ok 10968
191: ok 10969
191: ok 10970
191: ok 10971
191: ok 10972
191: ok 10973
191: ok 10974
191: ok 10975
191: ok 10976
191: ok 10977
191: ok 10978
191: ok 10979
191: ok 10980
191: ok 10981
191: ok 10982
191: ok 10983
191: ok 10984
191: ok 10985
191: ok 10986
191: ok 10987
191: ok 10988
191: ok 10989
191: ok 10990
191: ok 10991
191: ok 10992
191: ok 10993
191: ok 10994
191: ok 10995
191: ok 10996
191: ok 10997
191: ok 10998
191: ok 10999
191: ok 11000
191: ok 11001
191: ok 11002
191: ok 11003
191: ok 11004
191: ok 11005
191: ok 11006
191: ok 11007
191: ok 11008
191: ok 11009
191: ok 11010
191: ok 11011
191: ok 11012
191: ok 11013
191: ok 11014
191: ok 11015
191: ok 11016
191: ok 11017
191: ok 11018
191: ok 11019
191: ok 11020
191: ok 11021
191: ok 11022
191: ok 11023
191: ok 11024
191: ok 11025
191: ok 11026
191: ok 11027
191: ok 11028
191: ok 11029
191: ok 11030
191: ok 11031
191: ok 11032
191: ok 11033
191: ok 11034
191: ok 11035
191: ok 11036
191: ok 11037
191: ok 11038
191: ok 11039
191: ok 11040
191: ok 11041
191: ok 11042
191: ok 11043
191: ok 11044
191: ok 11045
191: ok 11046
191: ok 11047
191: ok 11048
191: ok 11049
191: ok 11050
191: ok 11051
191: ok 11052
191: ok 11053
191: ok 11054
191: ok 11055
191: ok 11056
191: ok 11057
191: ok 11058
191: ok 11059
191: ok 11060
191: ok 11061
191: ok 11062
191: ok 11063
191: ok 11064
191: ok 11065
191: ok 11066
191: ok 11067
191: ok 11068
191: ok 11069
191: ok 11070
191: ok 11071
191: ok 11072
191: ok 11073
191: ok 11074
191: ok 11075
191: ok 11076
191: ok 11077
191: ok 11078
191: ok 11079
191: ok 11080
191: ok 11081
191: ok 11082
191: ok 11083
191: ok 11084
191: ok 11085
191: ok 11086
191: ok 11087
191: ok 11088
191: ok 11089
191: ok 11090
191: ok 11091
191: ok 11092
191: ok 11093
191: ok 11094
191: ok 11095
191: ok 11096
191: ok 11097
191: ok 11098
191: ok 11099
191: ok 11100
191: ok 11101
191: ok 11102
191: ok 11103
191: ok 11104
191: ok 11105
191: ok 11106
191: ok 11107
191: ok 11108
191: ok 11109
191: ok 11110
191: ok 11111
191: ok 11112
191: ok 11113
191: ok 11114
191: ok 11115
191: ok 11116
191: ok 11117
191: ok 11118
191: ok 11119
191: ok 11120
191: ok 11121
191: ok 11122
191: ok 11123
191: ok 11124
191: ok 11125
191: ok 11126
191: ok 11127
191: ok 11128
191: ok 11129
191: ok 11130
191: ok 11131
191: ok 11132
191: ok 11133
191: ok 11134
191: ok 11135
191: ok 11136
191: ok 11137
191: ok 11138
191: ok 11139
191: ok 11140
191: ok 11141
191: ok 11142
191: ok 11143
191: ok 11144
191: ok 11145
191: ok 11146
191: ok 11147
191: ok 11148
191: ok 11149
191: ok 11150
191: ok 11151
191: ok 11152
191: ok 11153
191: ok 11154
191: ok 11155
191: ok 11156
191: ok 11157
191: ok 11158
191: ok 11159
191: ok 11160
191: ok 11161
191: ok 11162
191: ok 11163
191: ok 11164
191: ok 11165
191: ok 11166
191: ok 11167
191: ok 11168
191: ok 11169
191: ok 11170
191: ok 11171
191: ok 11172
191: ok 11173
191: ok 11174
191: ok 11175
191: ok 11176
191: ok 11177
191: ok 11178
191: ok 11179
191: ok 11180
191: ok 11181
191: ok 11182
191: ok 11183
191: ok 11184
191: ok 11185
191: ok 11186
191: ok 11187
191: ok 11188
191: ok 11189
191: ok 11190
191: ok 11191
191: ok 11192
191: ok 11193
191: ok 11194
191: ok 11195
191: ok 11196
191: ok 11197
191: ok 11198
191: ok 11199
191: ok 11200
191: ok 11201
191: ok 11202
191: ok 11203
191: ok 11204
191: ok 11205
191: ok 11206
191: ok 11207
191: ok 11208
191: ok 11209
191: ok 11210
191: ok 11211
191: ok 11212
191: ok 11213
191: ok 11214
191: ok 11215
191: ok 11216
191: ok 11217
191: ok 11218
191: ok 11219
191: ok 11220
191: ok 11221
191: ok 11222
191: ok 11223
191: ok 11224
191: ok 11225
191: ok 11226
191: ok 11227
191: ok 11228
191: ok 11229
191: ok 11230
191: ok 11231
191: ok 11232
191: ok 11233
191: ok 11234
191: ok 11235
191: ok 11236
191: ok 11237
191: ok 11238
191: ok 11239
191: ok 11240
191: ok 11241
191: ok 11242
191: ok 11243
191: ok 11244
191: ok 11245
191: ok 11246
191: ok 11247
191: ok 11248
191: ok 11249
191: ok 11250
191: ok 11251
191: ok 11252
191: ok 11253
191: ok 11254
191: ok 11255
191: ok 11256
191: ok 11257
191: ok 11258
191: ok 11259
191: ok 11260
191: ok 11261
191: ok 11262
191: ok 11263
191: ok 11264
191: ok 11265
191: ok 11266
191: ok 11267
191: ok 11268
191: ok 11269
191: ok 11270
191: ok 11271
191: ok 11272
191: ok 11273
191: ok 11274
191: ok 11275
191: ok 11276
191: ok 11277
191: ok 11278
191: ok 11279
191: ok 11280
191: ok 11281
191: ok 11282
191: ok 11283
191: ok 11284
191: ok 11285
191: ok 11286
191: ok 11287
191: ok 11288
191: ok 11289
191: ok 11290
191: ok 11291
191: ok 11292
191: ok 11293
191: ok 11294
191: ok 11295
191: ok 11296
191: ok 11297
191: ok 11298
191: ok 11299
191: ok 11300
191: ok 11301
191: ok 11302
191: ok 11303
191: ok 11304
191: ok 11305
191: ok 11306
191: ok 11307
191: ok 11308
191: ok 11309
191: ok 11310
191: ok 11311
191: ok 11312
191: ok 11313
191: ok 11314
191: ok 11315
191: ok 11316
191: ok 11317
191: ok 11318
191: ok 11319
191: ok 11320
191: ok 11321
191: ok 11322
191: ok 11323
191: ok 11324
191: ok 11325
191: ok 11326
191: ok 11327
191: ok 11328
191: ok 11329
191: ok 11330
191: ok 11331
191: ok 11332
191: ok 11333
191: ok 11334
191: ok 11335
191: ok 11336
191: ok 11337
191: ok 11338
191: ok 11339
191: ok 11340
191: ok 11341
191: ok 11342
191: ok 11343
191: ok 11344
191: ok 11345
191: ok 11346
191: ok 11347
191: ok 11348
191: ok 11349
191: ok 11350
191: ok 11351
191: ok 11352
191: ok 11353
191: ok 11354
191: ok 11355
191: ok 11356
191: ok 11357
191: ok 11358
191: ok 11359
191: ok 11360
191: ok 11361
191: ok 11362
191: ok 11363
191: ok 11364
191: ok 11365
191: ok 11366
191: ok 11367
191: ok 11368
191: ok 11369
191: ok 11370
191: ok 11371
191: ok 11372
191: ok 11373
191: ok 11374
191: ok 11375
191: ok 11376
191: ok 11377
191: ok 11378
191: ok 11379
191: ok 11380
191: ok 11381
191: ok 11382
191: ok 11383
191: ok 11384
191: ok 11385
191: ok 11386
191: ok 11387
191: ok 11388
191: ok 11389
191: ok 11390
191: ok 11391
191: ok 11392
191: ok 11393
191: ok 11394
191: ok 11395
191: ok 11396
191: ok 11397
191: ok 11398
191: ok 11399
191: ok 11400
191: ok 11401
191: ok 11402
191: ok 11403
191: ok 11404
191: ok 11405
191: ok 11406
191: ok 11407
191: ok 11408
191: ok 11409
191: ok 11410
191: ok 11411
191: ok 11412
191: ok 11413
191: ok 11414
191: ok 11415
191: ok 11416
191: ok 11417
191: ok 11418
191: ok 11419
191: ok 11420
191: ok 11421
191: ok 11422
191: ok 11423
191: ok 11424
191: ok 11425
191: ok 11426
191: ok 11427
191: ok 11428
191: ok 11429
191: ok 11430
191: ok 11431
191: ok 11432
191: ok 11433
191: ok 11434
191: ok 11435
191: ok 11436
191: ok 11437
191: ok 11438
191: ok 11439
191: ok 11440
191: ok 11441
191: ok 11442
191: ok 11443
191: ok 11444
191: ok 11445
191: ok 11446
191: ok 11447
191: ok 11448
191: ok 11449
191: ok 11450
191: ok 11451
191: ok 11452
191: ok 11453
191: ok 11454
191: ok 11455
191: ok 11456
191: ok 11457
191: ok 11458
191: ok 11459
191: ok 11460
191: ok 11461
191: ok 11462
191: ok 11463
191: ok 11464
191: ok 11465
191: ok 11466
191: ok 11467
191: ok 11468
191: ok 11469
191: ok 11470
191: ok 11471
191: ok 11472
191: ok 11473
191: ok 11474
191: ok 11475
191: ok 11476
191: ok 11477
191: ok 11478
191: ok 11479
191: ok 11480
191: ok 11481
191: ok 11482
191: ok 11483
191: ok 11484
191: ok 11485
191: ok 11486
191: ok 11487
191: ok 11488
191: ok 11489
191: ok 11490
191: ok 11491
191: ok 11492
191: ok 11493
191: ok 11494
191: ok 11495
191: ok 11496
191: ok 11497
191: ok 11498
191: ok 11499
191: ok 11500
191: ok 11501
191: ok 11502
191: ok 11503
191: ok 11504
191: ok 11505
191: ok 11506
191: ok 11507
191: ok 11508
191: ok 11509
191: ok 11510
191: ok 11511
191: ok 11512
191: ok 11513
191: ok 11514
191: ok 11515
191: ok 11516
191: ok 11517
191: ok 11518
191: ok 11519
191: ok 11520
191: ok 11521
191: ok 11522
191: ok 11523
191: ok 11524
191: ok 11525
191: ok 11526
191: ok 11527
191: ok 11528
191: ok 11529
191: ok 11530
191: ok 11531
191: ok 11532
191: ok 11533
191: ok 11534
191: ok 11535
191: ok 11536
191: ok 11537
191: ok 11538
191: ok 11539
191: ok 11540
191: ok 11541
191: ok 11542
191: ok 11543
191: ok 11544
191: ok 11545
191: ok 11546
191: ok 11547
191: ok 11548
191: ok 11549
191: ok 11550
191: ok 11551
191: ok 11552
191: ok 11553
191: ok 11554
191: ok 11555
191: ok 11556
191: ok 11557
191: ok 11558
191: ok 11559
191: ok 11560
191: ok 11561
191: ok 11562
191: ok 11563
191: ok 11564
191: ok 11565
191: ok 11566
191: ok 11567
191: ok 11568
191: ok 11569
191: ok 11570
191: ok 11571
191: ok 11572
191: ok 11573
191: ok 11574
191: ok 11575
191: ok 11576
191: ok 11577
191: ok 11578
191: ok 11579
191: ok 11580
191: ok 11581
191: ok 11582
191: ok 11583
191: ok 11584
191: ok 11585
191: ok 11586
191: ok 11587
191: ok 11588
191: ok 11589
191: ok 11590
191: ok 11591
191: ok 11592
191: ok 11593
191: ok 11594
191: ok 11595
191: ok 11596
191: ok 11597
191: ok 11598
191: ok 11599
191: ok 11600
191: ok 11601
191: ok 11602
191: ok 11603
191: ok 11604
191: ok 11605
191: ok 11606
191: ok 11607
191: ok 11608
191: ok 11609
191: ok 11610
191: ok 11611
191: ok 11612
191: ok 11613
191: ok 11614
191: ok 11615
191: ok 11616
191: ok 11617
191: ok 11618
191: ok 11619
191: ok 11620
191: ok 11621
191: ok 11622
191: ok 11623
191: ok 11624
191: ok 11625
191: ok 11626
191: ok 11627
191: ok 11628
191: ok 11629
191: ok 11630
191: ok 11631
191: ok 11632
191: ok 11633
191: ok 11634
191: ok 11635
191: ok 11636
191: ok 11637
191: ok 11638
191: ok 11639
191: ok 11640
191: ok 11641
191: ok 11642
191: ok 11643
191: ok 11644
191: ok 11645
191: ok 11646
191: ok 11647
191: ok 11648
191: ok 11649
191: ok 11650
191: ok 11651
191: ok 11652
191: ok 11653
191: ok 11654
191: ok 11655
191: ok 11656
191: ok 11657
191: ok 11658
191: ok 11659
191: ok 11660
191: ok 11661
191: ok 11662
191: ok 11663
191: ok 11664
191: ok 11665
191: ok 11666
191: ok 11667
191: ok 11668
191: ok 11669
191: ok 11670
191: ok 11671
191: ok 11672
191: ok 11673
191: ok 11674
191: ok 11675
191: ok 11676
191: ok 11677
191: ok 11678
191: ok 11679
191: ok 11680
191: ok 11681
191: ok 11682
191: ok 11683
191: ok 11684
191: ok 11685
191: ok 11686
191: ok 11687
191: ok 11688
191: ok 11689
191: ok 11690
191: ok 11691
191: ok 11692
191: ok 11693
191: ok 11694
191: ok 11695
191: ok 11696
191: ok 11697
191: ok 11698
191: ok 11699
191: ok 11700
191: ok 11701
191: ok 11702
191: ok 11703
191: ok 11704
191: ok 11705
191: ok 11706
191: ok 11707
191: ok 11708
191: ok 11709
191: ok 11710
191: ok 11711
191: ok 11712
191: ok 11713
191: ok 11714
191: ok 11715
191: ok 11716
191: ok 11717
191: ok 11718
191: ok 11719
191: ok 11720
191: ok 11721
191: ok 11722
191: ok 11723
191: ok 11724
191: ok 11725
191: ok 11726
191: ok 11727
191: ok 11728
191: ok 11729
191: ok 11730
191: ok 11731
191: ok 11732
191: ok 11733
191: ok 11734
191: ok 11735
191: ok 11736
191: ok 11737
191: ok 11738
191: ok 11739
191: ok 11740
191: ok 11741
191: ok 11742
191: ok 11743
191: ok 11744
191: ok 11745
191: ok 11746
191: ok 11747
191: ok 11748
191: ok 11749
191: ok 11750
191: ok 11751
191: ok 11752
191: ok 11753
191: ok 11754
191: ok 11755
191: ok 11756
191: ok 11757
191: ok 11758
191: ok 11759
191: ok 11760
191: ok 11761
191: ok 11762
191: ok 11763
191: ok 11764
191: ok 11765
191: ok 11766
191: ok 11767
191: ok 11768
191: ok 11769
191: ok 11770
191: ok 11771
191: ok 11772
191: ok 11773
191: ok 11774
191: ok 11775
191: ok 11776
191: ok 11777
191: ok 11778
191: ok 11779
191: ok 11780
191: ok 11781
191: ok 11782
191: ok 11783
191: ok 11784
191: ok 11785
191: ok 11786
191: ok 11787
191: ok 11788
191: ok 11789
191: ok 11790
191: ok 11791
191: ok 11792
191: ok 11793
191: ok 11794
191: ok 11795
191: ok 11796
191: ok 11797
191: ok 11798
191: ok 11799
191: ok 11800
191: ok 11801
191: ok 11802
191: ok 11803
191: ok 11804
191: ok 11805
191: ok 11806
191: ok 11807
191: ok 11808
191: ok 11809
191: ok 11810
191: ok 11811
191: ok 11812
191: ok 11813
191: ok 11814
191: ok 11815
191: ok 11816
191: ok 11817
191: ok 11818
191: ok 11819
191: ok 11820
191: ok 11821
191: ok 11822
191: ok 11823
191: ok 11824
191: ok 11825
191: ok 11826
191: ok 11827
191: ok 11828
191: ok 11829
191: ok 11830
191: ok 11831
191: ok 11832
191: ok 11833
191: ok 11834
191: ok 11835
191: ok 11836
191: ok 11837
191: ok 11838
191: ok 11839
191: ok 11840
191: ok 11841
191: ok 11842
191: ok 11843
191: ok 11844
191: ok 11845
191: ok 11846
191: ok 11847
191: ok 11848
191: ok 11849
191: ok 11850
191: ok 11851
191: ok 11852
191: ok 11853
191: ok 11854
191: ok 11855
191: ok 11856
191: ok 11857
191: ok 11858
191: ok 11859
191: ok 11860
191: ok 11861
191: ok 11862
191: ok 11863
191: ok 11864
191: ok 11865
191: ok 11866
191: ok 11867
191: ok 11868
191: ok 11869
191: ok 11870
191: ok 11871
191: ok 11872
191: ok 11873
191: ok 11874
191: ok 11875
191: ok 11876
191: ok 11877
191: ok 11878
191: ok 11879
191: ok 11880
191: ok 11881
191: ok 11882
191: ok 11883
191: ok 11884
191: ok 11885
191: ok 11886
191: ok 11887
191: ok 11888
191: ok 11889
191: ok 11890
191: ok 11891
191: ok 11892
191: ok 11893
191: ok 11894
191: ok 11895
191: ok 11896
191: ok 11897
191: ok 11898
191: ok 11899
191: ok 11900
191: ok 11901
191: ok 11902
191: ok 11903
191: ok 11904
191: ok 11905
191: ok 11906
191: ok 11907
191: ok 11908
191: ok 11909
191: ok 11910
191: ok 11911
191: ok 11912
191: ok 11913
191: ok 11914
191: ok 11915
191: ok 11916
191: ok 11917
191: ok 11918
191: ok 11919
191: ok 11920
191: ok 11921
191: ok 11922
191: ok 11923
191: ok 11924
191: ok 11925
191: ok 11926
191: ok 11927
191: ok 11928
191: ok 11929
191: ok 11930
191: ok 11931
191: ok 11932
191: ok 11933
191: ok 11934
191: ok 11935
191: ok 11936
191: ok 11937
191: ok 11938
191: ok 11939
191: ok 11940
191: ok 11941
191: ok 11942
191: ok 11943
191: ok 11944
191: ok 11945
191: ok 11946
191: ok 11947
191: ok 11948
191: ok 11949
191: ok 11950
191: ok 11951
191: ok 11952
191: ok 11953
191: ok 11954
191: ok 11955
191: ok 11956
191: ok 11957
191: ok 11958
191: ok 11959
191: ok 11960
191: ok 11961
191: ok 11962
191: ok 11963
191: ok 11964
191: ok 11965
191: ok 11966
191: ok 11967
191: ok 11968
191: ok 11969
191: ok 11970
191: ok 11971
191: ok 11972
191: ok 11973
191: ok 11974
191: ok 11975
191: ok 11976
191: ok 11977
191: ok 11978
191: ok 11979
191: ok 11980
191: ok 11981
191: ok 11982
191: ok 11983
191: ok 11984
191: ok 11985
191: ok 11986
191: ok 11987
191: ok 11988
191: ok 11989
191: ok 11990
191: ok 11991
191: ok 11992
191: ok 11993
191: ok 11994
191: ok 11995
191: ok 11996
191: ok 11997
191: ok 11998
191: ok 11999
191: ok 12000
191: ok 12001
191: ok 12002
191: ok 12003
191: ok 12004
191: ok 12005
191: ok 12006
191: ok 12007
191: ok 12008
191: ok 12009
191: ok 12010
191: ok 12011
191: ok 12012
191: ok 12013
191: ok 12014
191: ok 12015
191: ok 12016
191: ok 12017
191: ok 12018
191: ok 12019
191: ok 12020
191: ok 12021
191: ok 12022
191: ok 12023
191: ok 12024
191: ok 12025
191: ok 12026
191: ok 12027
191: ok 12028
191: ok 12029
191: ok 12030
191: ok 12031
191: ok 12032
191: ok 12033
191: ok 12034
191: ok 12035
191: ok 12036
191: ok 12037
191: ok 12038
191: ok 12039
191: ok 12040
191: ok 12041
191: ok 12042
191: ok 12043
191: ok 12044
191: ok 12045
191: ok 12046
191: ok 12047
191: ok 12048
191: ok 12049
191: ok 12050
191: ok 12051
191: ok 12052
191: ok 12053
191: ok 12054
191: ok 12055
191: ok 12056
191: ok 12057
191: ok 12058
191: ok 12059
191: ok 12060
191: ok 12061
191: ok 12062
191: ok 12063
191: ok 12064
191: ok 12065
191: ok 12066
191: ok 12067
191: ok 12068
191: ok 12069
191: ok 12070
191: ok 12071
191: ok 12072
191: ok 12073
191: ok 12074
191: ok 12075
191: ok 12076
191: ok 12077
191: ok 12078
191: ok 12079
191: ok 12080
191: ok 12081
191: ok 12082
191: ok 12083
191: ok 12084
191: ok 12085
191: ok 12086
191: ok 12087
191: ok 12088
191: ok 12089
191: ok 12090
191: ok 12091
191: ok 12092
191: ok 12093
191: ok 12094
191: ok 12095
191: ok 12096
191: ok 12097
191: ok 12098
191: ok 12099
191: ok 12100
191: ok 12101
191: ok 12102
191: ok 12103
191: ok 12104
191: ok 12105
191: ok 12106
191: ok 12107
191: ok 12108
191: ok 12109
191: ok 12110
191: ok 12111
191: ok 12112
191: ok 12113
191: ok 12114
191: ok 12115
191: ok 12116
191: ok 12117
191: ok 12118
191: ok 12119
191: ok 12120
191: ok 12121
191: ok 12122
191: ok 12123
191: ok 12124
191: ok 12125
191: ok 12126
191: ok 12127
191: ok 12128
191: ok 12129
191: ok 12130
191: ok 12131
191: ok 12132
191: ok 12133
191: ok 12134
191: ok 12135
191: ok 12136
191: ok 12137
191: ok 12138
191: ok 12139
191: ok 12140
191: ok 12141
191: ok 12142
191: ok 12143
191: ok 12144
191: ok 12145
191: ok 12146
191: ok 12147
191: ok 12148
191: ok 12149
191: ok 12150
191: ok 12151
191: ok 12152
191: ok 12153
191: ok 12154
191: ok 12155
191: ok 12156
191: ok 12157
191: ok 12158
191: ok 12159
191: ok 12160
191: ok 12161
191: ok 12162
191: ok 12163
191: ok 12164
191: ok 12165
191: ok 12166
191: ok 12167
191: ok 12168
191: ok 12169
191: ok 12170
191: ok 12171
191: ok 12172
191: ok 12173
191: ok 12174
191: ok 12175
191: ok 12176
191: ok 12177
191: ok 12178
191: ok 12179
191: ok 12180
191: ok 12181
191: ok 12182
191: ok 12183
191: ok 12184
191: ok 12185
191: ok 12186
191: ok 12187
191: ok 12188
191: ok 12189
191: ok 12190
191: ok 12191
191: ok 12192
191: ok 12193
191: ok 12194
191: ok 12195
191: ok 12196
191: ok 12197
191: ok 12198
191: ok 12199
191: ok 12200
191: ok 12201
191: ok 12202
191: ok 12203
191: ok 12204
191: ok 12205
191: ok 12206
191: ok 12207
191: ok 12208
191: ok 12209
191: ok 12210
191: ok 12211
191: ok 12212
191: ok 12213
191: ok 12214
191: ok 12215
191: ok 12216
191: ok 12217
191: ok 12218
191: ok 12219
191: ok 12220
191: ok 12221
191: ok 12222
191: ok 12223
191: ok 12224
191: ok 12225
191: ok 12226
191: ok 12227
191: ok 12228
191: ok 12229
191: ok 12230
191: ok 12231
191: ok 12232
191: ok 12233
191: ok 12234
191: ok 12235
191: ok 12236
191: ok 12237
191: ok 12238
191: ok 12239
191: ok 12240
191: ok 12241
191: ok 12242
191: ok 12243
191: ok 12244
191: ok 12245
191: ok 12246
191: ok 12247
191: ok 12248
191: ok 12249
191: ok 12250
191: ok 12251
191: ok 12252
191: ok 12253
191: ok 12254
191: ok 12255
191: ok 12256
191: ok 12257
191: ok 12258
191: ok 12259
191: ok 12260
191: ok 12261
191: ok 12262
191: ok 12263
191: ok 12264
191: ok 12265
191: ok 12266
191: ok 12267
191: ok 12268
191: ok 12269
191: ok 12270
191: ok 12271
191: ok 12272
191: ok 12273
191: ok 12274
191: ok 12275
191: ok 12276
191: ok 12277
191: ok 12278
191: ok 12279
191: ok 12280
191: ok 12281
191: ok 12282
191: ok 12283
191: ok 12284
191: ok 12285
191: ok 12286
191: ok 12287
191: ok 12288
191: ok 12289
191: ok 12290
191: ok 12291
191: ok 12292
191: ok 12293
191: ok 12294
191: ok 12295
191: ok 12296
191: ok 12297
191: ok 12298
191: ok 12299
191: ok 12300
191: ok 12301
191: ok 12302
191: ok 12303
191: ok 12304
191: ok 12305
191: ok 12306
191: ok 12307
191: ok 12308
191: ok 12309
191: ok 12310
191: ok 12311
191: ok 12312
191: ok 12313
191: ok 12314
191: ok 12315
191: ok 12316
191: ok 12317
191: ok 12318
191: ok 12319
191: ok 12320
191: ok 12321
191: ok 12322
191: ok 12323
191: ok 12324
191: ok 12325
191: ok 12326
191: ok 12327
191: ok 12328
191: ok 12329
191: ok 12330
191: ok 12331
191: ok 12332
191: ok 12333
191: ok 12334
191: ok 12335
191: ok 12336
191: ok 12337
191: ok 12338
191: ok 12339
191: ok 12340
191: ok 12341
191: ok 12342
191: ok 12343
191: ok 12344
191: ok 12345
191: ok 12346
191: ok 12347
191: ok 12348
191: ok 12349
191: ok 12350
191: ok 12351
191: ok 12352
191: ok 12353
191: ok 12354
191: ok 12355
191: ok 12356
191: ok 12357
191: ok 12358
191: ok 12359
191: ok 12360
191: ok 12361
191: ok 12362
191: ok 12363
191: ok 12364
191: ok 12365
191: ok 12366
191: ok 12367
191: ok 12368
191: ok 12369
191: ok 12370
191: ok 12371
191: ok 12372
191: ok 12373
191: ok 12374
191: ok 12375
191: ok 12376
191: ok 12377
191: ok 12378
191: ok 12379
191: ok 12380
191: ok 12381
191: ok 12382
191: ok 12383
191: ok 12384
191: ok 12385
191: ok 12386
191: ok 12387
191: ok 12388
191: ok 12389
191: ok 12390
191: ok 12391
191: ok 12392
191: ok 12393
191: ok 12394
191: ok 12395
191: ok 12396
191: ok 12397
191: ok 12398
191: ok 12399
191: ok 12400
191: ok 12401
191: ok 12402
191: ok 12403
191: ok 12404
191: ok 12405
191: ok 12406
191: ok 12407
191: ok 12408
191: ok 12409
191: ok 12410
191: ok 12411
191: ok 12412
191: ok 12413
191: ok 12414
191: ok 12415
191: ok 12416
191: ok 12417
191: ok 12418
191: ok 12419
191: ok 12420
191: ok 12421
191: ok 12422
191: ok 12423
191: ok 12424
191: ok 12425
191: ok 12426
191: ok 12427
191: ok 12428
191: ok 12429
191: ok 12430
191: ok 12431
191: ok 12432
191: ok 12433
191: ok 12434
191: ok 12435
191: ok 12436
191: ok 12437
191: ok 12438
191: ok 12439
191: ok 12440
191: ok 12441
191: ok 12442
191: ok 12443
191: ok 12444
191: ok 12445
191: ok 12446
191: ok 12447
191: ok 12448
191: ok 12449
191: ok 12450
191: ok 12451
191: ok 12452
191: ok 12453
191: ok 12454
191: ok 12455
191: ok 12456
191: ok 12457
191: ok 12458
191: ok 12459
191: ok 12460
191: ok 12461
191: ok 12462
191: ok 12463
191: ok 12464
191: ok 12465
191: ok 12466
191: ok 12467
191: ok 12468
191: ok 12469
191: ok 12470
191: ok 12471
191: ok 12472
191: ok 12473
191: ok 12474
191: ok 12475
191: ok 12476
191: ok 12477
191: ok 12478
191: ok 12479
191: ok 12480
191: ok 12481
191: ok 12482
191: ok 12483
191: ok 12484
191: ok 12485
191: ok 12486
191: ok 12487
191: ok 12488
191: ok 12489
191: ok 12490
191: ok 12491
191: ok 12492
191: ok 12493
191: ok 12494
191: ok 12495
191: ok 12496
191: ok 12497
191: ok 12498
191: ok 12499
191: ok 12500
191: ok 12501
191: ok 12502
191: ok 12503
191: ok 12504
191: ok 12505
191: ok 12506
191: ok 12507
191: ok 12508
191: ok 12509
191: ok 12510
191: ok 12511
191: ok 12512
191: ok 12513
191: ok 12514
191: ok 12515
191: ok 12516
191: ok 12517
191: ok 12518
191: ok 12519
191: ok 12520
191: ok 12521
191: ok 12522
191: ok 12523
191: ok 12524
191: ok 12525
191: ok 12526
191: ok 12527
191: ok 12528
191: ok 12529
191: ok 12530
191: ok 12531
191: ok 12532
191: ok 12533
191: ok 12534
191: ok 12535
191: ok 12536
191: ok 12537
191: ok 12538
191: ok 12539
191: ok 12540
191: ok 12541
191: ok 12542
191: ok 12543
191: ok 12544
191: ok 12545
191: ok 12546
191: ok 12547
191: ok 12548
191: ok 12549
191: ok 12550
191: ok 12551
191: ok 12552
191: ok 12553
191: ok 12554
191: ok 12555
191: ok 12556
191: ok 12557
191: ok 12558
191: ok 12559
191: ok 12560
191: ok 12561
191: ok 12562
191: ok 12563
191: ok 12564
191: ok 12565
191: ok 12566
191: ok 12567
191: ok 12568
191: ok 12569
191: ok 12570
191: ok 12571
191: ok 12572
191: ok 12573
191: ok 12574
191: ok 12575
191: ok 12576
191: ok 12577
191: ok 12578
191: ok 12579
191: ok 12580
191: ok 12581
191: ok 12582
191: ok 12583
191: ok 12584
191: ok 12585
191: ok 12586
191: ok 12587
191: ok 12588
191: ok 12589
191: ok 12590
191: ok 12591
191: ok 12592
191: ok 12593
191: ok 12594
191: ok 12595
191: ok 12596
191: ok 12597
191: ok 12598
191: ok 12599
191: ok 12600
191: ok 12601
191: ok 12602
191: ok 12603
191: ok 12604
191: ok 12605
191: ok 12606
191: ok 12607
191: ok 12608
191: ok 12609
191: ok 12610
191: ok 12611
191: ok 12612
191: ok 12613
191: ok 12614
191: ok 12615
191: ok 12616
191: ok 12617
191: ok 12618
191: ok 12619
191: ok 12620
191: ok 12621
191: ok 12622
191: ok 12623
191: ok 12624
191: ok 12625
191: ok 12626
191: ok 12627
191: ok 12628
191: ok 12629
191: ok 12630
191: ok 12631
191: ok 12632
191: ok 12633
191: ok 12634
191: ok 12635
191: ok 12636
191: ok 12637
191: ok 12638
191: ok 12639
191: ok 12640
191: ok 12641
191: ok 12642
191: ok 12643
191: ok 12644
191: ok 12645
191: ok 12646
191: ok 12647
191: ok 12648
191: ok 12649
191: ok 12650
191: ok 12651
191: ok 12652
191: ok 12653
191: ok 12654
191: ok 12655
191: ok 12656
191: ok 12657
191: ok 12658
191: ok 12659
191: ok 12660
191: ok 12661
191: ok 12662
191: ok 12663
191: ok 12664
191: ok 12665
191: ok 12666
191: ok 12667
191: ok 12668
191: ok 12669
191: ok 12670
191: ok 12671
191: ok 12672
191: ok 12673
191: ok 12674
191: ok 12675
191: ok 12676
191: ok 12677
191: ok 12678
191: ok 12679
191: ok 12680
191: ok 12681
191: ok 12682
191: ok 12683
191: ok 12684
191: ok 12685
191: ok 12686
191: ok 12687
191: ok 12688
191: ok 12689
191: ok 12690
191: ok 12691
191: ok 12692
191: ok 12693
191: ok 12694
191: ok 12695
191: ok 12696
191: ok 12697
191: ok 12698
191: ok 12699
191: ok 12700
191: ok 12701
191: ok 12702
191: ok 12703
191: ok 12704
191: ok 12705
191: ok 12706
191: ok 12707
191: ok 12708
191: ok 12709
191: ok 12710
191: ok 12711
191: ok 12712
191: ok 12713
191: ok 12714
191: ok 12715
191: ok 12716
191: ok 12717
191: ok 12718
191: ok 12719
191: ok 12720
191: ok 12721
191: ok 12722
191: ok 12723
191: ok 12724
191: ok 12725
191: ok 12726
191: ok 12727
191: ok 12728
191: ok 12729
191: ok 12730
191: ok 12731
191: ok 12732
191: ok 12733
191: ok 12734
191: ok 12735
191: ok 12736
191: ok 12737
191: ok 12738
191: ok 12739
191: ok 12740
191: ok 12741
191: ok 12742
191: ok 12743
191: ok 12744
191: ok 12745
191: ok 12746
191: ok 12747
191: ok 12748
191: ok 12749
191: ok 12750
191: ok 12751
191: ok 12752
191: ok 12753
191: ok 12754
191: ok 12755
191: ok 12756
191: ok 12757
191: ok 12758
191: ok 12759
191: ok 12760
191: ok 12761
191: ok 12762
191: ok 12763
191: ok 12764
191: ok 12765
191: ok 12766
191: ok 12767
191: ok 12768
191: ok 12769
191: ok 12770
191: ok 12771
191: ok 12772
191: ok 12773
191: ok 12774
191: ok 12775
191: ok 12776
191: ok 12777
191: ok 12778
191: ok 12779
191: ok 12780
191: ok 12781
191: ok 12782
191: ok 12783
191: ok 12784
191: ok 12785
191: ok 12786
191: ok 12787
191: ok 12788
191: ok 12789
191: ok 12790
191: ok 12791
191: ok 12792
191: ok 12793
191: ok 12794
191: ok 12795
191: ok 12796
191: ok 12797
191: ok 12798
191: ok 12799
191: ok 12800
191: ok 12801
191: ok 12802
191: ok 12803
191: ok 12804
191: ok 12805
191: ok 12806
191: ok 12807
191: ok 12808
191: ok 12809
191: ok 12810
191: ok 12811
191: ok 12812
191: ok 12813
191: ok 12814
191: ok 12815
191: ok 12816
191: ok 12817
191: ok 12818
191: ok 12819
191: ok 12820
191: ok 12821
191: ok 12822
191: ok 12823
191: ok 12824
191: ok 12825
191: ok 12826
191: ok 12827
191: ok 12828
191: ok 12829
191: ok 12830
191: ok 12831
191: ok 12832
191: ok 12833
191: ok 12834
191: ok 12835
191: ok 12836
191: ok 12837
191: ok 12838
191: ok 12839
191: ok 12840
191: ok 12841
191: ok 12842
191: ok 12843
191: ok 12844
191: ok 12845
191: ok 12846
191: ok 12847
191: ok 12848
191: ok 12849
191: ok 12850
191: ok 12851
191: ok 12852
191: ok 12853
191: ok 12854
191: ok 12855
191: ok 12856
191: ok 12857
191: ok 12858
191: ok 12859
191: ok 12860
191: ok 12861
191: ok 12862
191: ok 12863
191: ok 12864
191: ok 12865
191: ok 12866
191: ok 12867
191: ok 12868
191: ok 12869
191: ok 12870
191: ok 12871
191: ok 12872
191: ok 12873
191: ok 12874
191: ok 12875
191: ok 12876
191: ok 12877
191: ok 12878
191: ok 12879
191: ok 12880
191: ok 12881
191: ok 12882
191: ok 12883
191: ok 12884
191: ok 12885
191: ok 12886
191: ok 12887
191: ok 12888
191: ok 12889
191: ok 12890
191: ok 12891
191: ok 12892
191: ok 12893
191: ok 12894
191: ok 12895
191: ok 12896
191: ok 12897
191: ok 12898
191: ok 12899
191: ok 12900
191: ok 12901
191: ok 12902
191: ok 12903
191: ok 12904
191: ok 12905
191: ok 12906
191: ok 12907
191: ok 12908
191: ok 12909
191: ok 12910
191: ok 12911
191: ok 12912
191: ok 12913
191: ok 12914
191: ok 12915
191: ok 12916
191: ok 12917
191: ok 12918
191: ok 12919
191: ok 12920
191: ok 12921
191: ok 12922
191: ok 12923
191: ok 12924
191: ok 12925
191: ok 12926
191: ok 12927
191: ok 12928
191: ok 12929
191: ok 12930
191: ok 12931
191: ok 12932
191: ok 12933
191: ok 12934
191: ok 12935
191: ok 12936
191: ok 12937
191: ok 12938
191: ok 12939
191: ok 12940
191: ok 12941
191: ok 12942
191: ok 12943
191: ok 12944
191: ok 12945
191: ok 12946
191: ok 12947
191: ok 12948
191: ok 12949
191: ok 12950
191: ok 12951
191: ok 12952
191: ok 12953
191: ok 12954
191: ok 12955
191: ok 12956
191: ok 12957
191: ok 12958
191: ok 12959
191: ok 12960
191: ok 12961
191: ok 12962
191: ok 12963
191: ok 12964
191: ok 12965
191: ok 12966
191: ok 12967
191: ok 12968
191: ok 12969
191: ok 12970
191: ok 12971
191: ok 12972
191: ok 12973
191: ok 12974
191: ok 12975
191: ok 12976
191: ok 12977
191: ok 12978
191: ok 12979
191: ok 12980
191: ok 12981
191: ok 12982
191: ok 12983
191: ok 12984
191: ok 12985
191: ok 12986
191: ok 12987
191: ok 12988
191: ok 12989
191: ok 12990
191: ok 12991
191: ok 12992
191: ok 12993
191: ok 12994
191: ok 12995
191: ok 12996
191: ok 12997
191: ok 12998
191: ok 12999
191: ok 13000
191: ok 13001
191: ok 13002
191: ok 13003
191: ok 13004
191: ok 13005
191: ok 13006
191: ok 13007
191: ok 13008
191: ok 13009
191: ok 13010
191: ok 13011
191: ok 13012
191: ok 13013
191: ok 13014
191: ok 13015
191: ok 13016
191: ok 13017
191: ok 13018
191: ok 13019
191: ok 13020
191: ok 13021
191: ok 13022
191: ok 13023
191: ok 13024
191: ok 13025
191: ok 13026
191: ok 13027
191: ok 13028
191: ok 13029
191: ok 13030
191: ok 13031
191: ok 13032
191: ok 13033
191: ok 13034
191: ok 13035
191: ok 13036
191: ok 13037
191: ok 13038
191: ok 13039
191: ok 13040
191: ok 13041
191: ok 13042
191: ok 13043
191: ok 13044
191: ok 13045
191: ok 13046
191: ok 13047
191: ok 13048
191: ok 13049
191: ok 13050
191: ok 13051
191: ok 13052
191: ok 13053
191: ok 13054
191: ok 13055
191: ok 13056
191: ok 13057
191: ok 13058
191: ok 13059
191: ok 13060
191: ok 13061
191: ok 13062
191: ok 13063
191: ok 13064
191: ok 13065
191: ok 13066
191: ok 13067
191: ok 13068
191: ok 13069
191: ok 13070
191: ok 13071
191: ok 13072
191: ok 13073
191: ok 13074
191: ok 13075
191: ok 13076
191: ok 13077
191: ok 13078
191: ok 13079
191: ok 13080
191: ok 13081
191: ok 13082
191: ok 13083
191: ok 13084
191: ok 13085
191: ok 13086
191: ok 13087
191: ok 13088
191: ok 13089
191: ok 13090
191: ok 13091
191: ok 13092
191: ok 13093
191: ok 13094
191: ok 13095
191: ok 13096
191: ok 13097
191: ok 13098
191: ok 13099
191: ok 13100
191: ok 13101
191: ok 13102
191: ok 13103
191: ok 13104
191: ok 13105
191: ok 13106
191: ok 13107
191: ok 13108
191: ok 13109
191: ok 13110
191: ok 13111
191: ok 13112
191: ok 13113
191: ok 13114
191: ok 13115
191: ok 13116
191: ok 13117
191: ok 13118
191: ok 13119
191: ok 13120
191: ok 13121
191: ok 13122
191: ok 13123
191: ok 13124
191: ok 13125
191: ok 13126
191: ok 13127
191: ok 13128
191: ok 13129
191: ok 13130
191: ok 13131
191: ok 13132
191: ok 13133
191: ok 13134
191: ok 13135
191: ok 13136
191: ok 13137
191: ok 13138
191: ok 13139
191: ok 13140
191: ok 13141
191: ok 13142
191: ok 13143
191: ok 13144
191: ok 13145
191: ok 13146
191: ok 13147
191: ok 13148
191: ok 13149
191: ok 13150
191: ok 13151
191: ok 13152
191: ok 13153
191: ok 13154
191: ok 13155
191: ok 13156
191: ok 13157
191: ok 13158
191: ok 13159
191: ok 13160
191: ok 13161
191: ok 13162
191: ok 13163
191: ok 13164
191: ok 13165
191: ok 13166
191: ok 13167
191: ok 13168
191: ok 13169
191: ok 13170
191: ok 13171
191: ok 13172
191: ok 13173
191: ok 13174
191: ok 13175
191: ok 13176
191: ok 13177
191: ok 13178
191: ok 13179
191: ok 13180
191: ok 13181
191: ok 13182
191: ok 13183
191: ok 13184
191: ok 13185
191: ok 13186
191: ok 13187
191: ok 13188
191: ok 13189
191: ok 13190
191: ok 13191
191: ok 13192
191: ok 13193
191: ok 13194
191: ok 13195
191: ok 13196
191: ok 13197
191: ok 13198
191: ok 13199
191: ok 13200
191: ok 13201
191: ok 13202
191: ok 13203
191: ok 13204
191: ok 13205
191: ok 13206
191: ok 13207
191: ok 13208
191: ok 13209
191: ok 13210
191: ok 13211
191: ok 13212
191: ok 13213
191: ok 13214
191: ok 13215
191: ok 13216
191: ok 13217
191: ok 13218
191: ok 13219
191: ok 13220
191: ok 13221
191: ok 13222
191: ok 13223
191: ok 13224
191: ok 13225
191: ok 13226
191: ok 13227
191: ok 13228
191: ok 13229
191: ok 13230
191: ok 13231
191: ok 13232
191: ok 13233
191: ok 13234
191: ok 13235
191: ok 13236
191: ok 13237
191: ok 13238
191: ok 13239
191: ok 13240
191: ok 13241
191: ok 13242
191: ok 13243
191: ok 13244
191: ok 13245
191: ok 13246
191: ok 13247
191: ok 13248
191: ok 13249
191: ok 13250
191: ok 13251
191: ok 13252
191: ok 13253
191: ok 13254
191: ok 13255
191: ok 13256
191: ok 13257
191: ok 13258
191: ok 13259
191: ok 13260
191: ok 13261
191: ok 13262
191: ok 13263
191: ok 13264
191: ok 13265
191: ok 13266
191: ok 13267
191: ok 13268
191: ok 13269
191: ok 13270
191: ok 13271
191: ok 13272
191: ok 13273
191: ok 13274
191: ok 13275
191: ok 13276
191: ok 13277
191: ok 13278
191: ok 13279
191: ok 13280
191: ok 13281
191: ok 13282
191: ok 13283
191: ok 13284
191: ok 13285
191: ok 13286
191: ok 13287
191: ok 13288
191: ok 13289
191: ok 13290
191: ok 13291
191: ok 13292
191: ok 13293
191: ok 13294
191: ok 13295
191: ok 13296
191: ok 13297
191: ok 13298
191: ok 13299
191: ok 13300
191: ok 13301
191: ok 13302
191: ok 13303
191: ok 13304
191: ok 13305
191: ok 13306
191: ok 13307
191: ok 13308
191: ok 13309
191: ok 13310
191: ok 13311
191: ok 13312
191: ok 13313
191: ok 13314
191: ok 13315
191: ok 13316
191: ok 13317
191: ok 13318
191: ok 13319
191: ok 13320
191: ok 13321
191: ok 13322
191: ok 13323
191: ok 13324
191: ok 13325
191: ok 13326
191: ok 13327
191: ok 13328
191: ok 13329
191: ok 13330
191: ok 13331
191: ok 13332
191: ok 13333
191: ok 13334
191: ok 13335
191: ok 13336
191: ok 13337
191: ok 13338
191: ok 13339
191: ok 13340
191: ok 13341
191: ok 13342
191: ok 13343
191: ok 13344
191: ok 13345
191: ok 13346
191: ok 13347
191: ok 13348
191: ok 13349
191: ok 13350
191: ok 13351
191: ok 13352
191: ok 13353
191: ok 13354
191: ok 13355
191: ok 13356
191: ok 13357
191: ok 13358
191: ok 13359
191: ok 13360
191: ok 13361
191: ok 13362
191: ok 13363
191: ok 13364
191: ok 13365
191: ok 13366
191: ok 13367
191: ok 13368
191: ok 13369
191: ok 13370
191: ok 13371
191: ok 13372
191: ok 13373
191: ok 13374
191: ok 13375
191: ok 13376
191: ok 13377
191: ok 13378
191: ok 13379
191: ok 13380
191: ok 13381
191: ok 13382
191: ok 13383
191: ok 13384
191: ok 13385
191: ok 13386
191: ok 13387
191: ok 13388
191: ok 13389
191: ok 13390
191: ok 13391
191: ok 13392
191: ok 13393
191: ok 13394
191: ok 13395
191: ok 13396
191: ok 13397
191: ok 13398
191: ok 13399
191: ok 13400
191: ok 13401
191: ok 13402
191: ok 13403
191: ok 13404
191: ok 13405
191: ok 13406
191: ok 13407
191: ok 13408
191: ok 13409
191: ok 13410
191: ok 13411
191: ok 13412
191: ok 13413
191: ok 13414
191: ok 13415
191: ok 13416
191: ok 13417
191: ok 13418
191: ok 13419
191: ok 13420
191: ok 13421
191: ok 13422
191: ok 13423
191: ok 13424
191: ok 13425
191: ok 13426
191: ok 13427
191: ok 13428
191: ok 13429
191: ok 13430
191: ok 13431
191: ok 13432
191: ok 13433
191: ok 13434
191: ok 13435
191: ok 13436
191: ok 13437
191: ok 13438
191: ok 13439
191: ok 13440
191: ok 13441
191: ok 13442
191: ok 13443
191: ok 13444
191: ok 13445
191: ok 13446
191: ok 13447
191: ok 13448
191: ok 13449
191: ok 13450
191: ok 13451
191: ok 13452
191: ok 13453
191: ok 13454
191: ok 13455
191: ok 13456
191: ok 13457
191: ok 13458
191: ok 13459
191: ok 13460
191: ok 13461
191: ok 13462
191: ok 13463
191: ok 13464
191: ok 13465
191: ok 13466
191: ok 13467
191: ok 13468
191: ok 13469
191: ok 13470
191: ok 13471
191: ok 13472
191: ok 13473
191: ok 13474
191: ok 13475
191: ok 13476
191: ok 13477
191: ok 13478
191: ok 13479
191: ok 13480
191: ok 13481
191: ok 13482
191: ok 13483
191: ok 13484
191: ok 13485
191: ok 13486
191: ok 13487
191: ok 13488
191: ok 13489
191: ok 13490
191: ok 13491
191: ok 13492
191: ok 13493
191: ok 13494
191: ok 13495
191: ok 13496
191: ok 13497
191: ok 13498
191: ok 13499
191: ok 13500
191: ok 13501
191: ok 13502
191: ok 13503
191: ok 13504
191: ok 13505
191: ok 13506
191: ok 13507
191: ok 13508
191: ok 13509
191: ok 13510
191: ok 13511
191: ok 13512
191: ok 13513
191: ok 13514
191: ok 13515
191: ok 13516
191: ok 13517
191: ok 13518
191: ok 13519
191: ok 13520
191: ok 13521
191: ok 13522
191: ok 13523
191: ok 13524
191: ok 13525
191: ok 13526
191: ok 13527
191: ok 13528
191: ok 13529
191: ok 13530
191: ok 13531
191: ok 13532
191: ok 13533
191: ok 13534
191: ok 13535
191: ok 13536
191: ok 13537
191: ok 13538
191: ok 13539
191: ok 13540
191: ok 13541
191: ok 13542
191: ok 13543
191: ok 13544
191: ok 13545
191: ok 13546
191: ok 13547
191: ok 13548
191: ok 13549
191: ok 13550
191: ok 13551
191: ok 13552
191: ok 13553
191: ok 13554
191: ok 13555
191: ok 13556
191: ok 13557
191: ok 13558
191: ok 13559
191: ok 13560
191: ok 13561
191: ok 13562
191: ok 13563
191: ok 13564
191: ok 13565
191: ok 13566
191: ok 13567
191: ok 13568
191: ok 13569
191: ok 13570
191: ok 13571
191: ok 13572
191: ok 13573
191: ok 13574
191: ok 13575
191: ok 13576
191: ok 13577
191: ok 13578
191: ok 13579
191: ok 13580
191: ok 13581
191: ok 13582
191: ok 13583
191: ok 13584
191: ok 13585
191: ok 13586
191: ok 13587
191: ok 13588
191: ok 13589
191: ok 13590
191: ok 13591
191: ok 13592
191: ok 13593
191: ok 13594
191: ok 13595
191: ok 13596
191: ok 13597
191: ok 13598
191: ok 13599
191: ok 13600
191: ok 13601
191: ok 13602
191: ok 13603
191: ok 13604
191: ok 13605
191: ok 13606
191: ok 13607
191: ok 13608
191: ok 13609
191: ok 13610
191: ok 13611
191: ok 13612
191: ok 13613
191: ok 13614
191: ok 13615
191: ok 13616
191: ok 13617
191: ok 13618
191: ok 13619
191: ok 13620
191: ok 13621
191: ok 13622
191: ok 13623
191: ok 13624
191: ok 13625
191: ok 13626
191: ok 13627
191: ok 13628
191: ok 13629
191: ok 13630
191: ok 13631
191: ok 13632
191: ok 13633
191: ok 13634
191: ok 13635
191: ok 13636
191: ok 13637
191: ok 13638
191: ok 13639
191: ok 13640
191: ok 13641
191: ok 13642
191: ok 13643
191: ok 13644
191: ok 13645
191: ok 13646
191: ok 13647
191: ok 13648
191: ok 13649
191: ok 13650
191: ok 13651
191: ok 13652
191: ok 13653
191: ok 13654
191: ok 13655
191: ok 13656
191: ok 13657
191: ok 13658
191: ok 13659
191: ok 13660
191: ok 13661
191: ok 13662
191: ok 13663
191: ok 13664
191: ok 13665
191: ok 13666
191: ok 13667
191: ok 13668
191: ok 13669
191: ok 13670
191: ok 13671
191: ok 13672
191: ok 13673
191: ok 13674
191: ok 13675
191: ok 13676
191: ok 13677
191: ok 13678
191: ok 13679
191: ok 13680
191: ok 13681
191: ok 13682
191: ok 13683
191: ok 13684
191: ok 13685
191: ok 13686
191: ok 13687
191: ok 13688
191: ok 13689
191: ok 13690
191: ok 13691
191: ok 13692
191: ok 13693
191: ok 13694
191: ok 13695
191: ok 13696
191: ok 13697
191: ok 13698
191: ok 13699
191: ok 13700
191: ok 13701
191: ok 13702
191: ok 13703
191: ok 13704
191: ok 13705
191: ok 13706
191: ok 13707
191: ok 13708
191: ok 13709
191: ok 13710
191: ok 13711
191: ok 13712
191: ok 13713
191: ok 13714
191: ok 13715
191: ok 13716
191: ok 13717
191: ok 13718
191: ok 13719
191: ok 13720
191: ok 13721
191: ok 13722
191: ok 13723
191: ok 13724
191: ok 13725
191: ok 13726
191: ok 13727
191: ok 13728
191: ok 13729
191: ok 13730
191: ok 13731
191: ok 13732
191: ok 13733
191: ok 13734
191: ok 13735
191: ok 13736
191: ok 13737
191: ok 13738
191: ok 13739
191: ok 13740
191: ok 13741
191: ok 13742
191: ok 13743
191: ok 13744
191: ok 13745
191: ok 13746
191: ok 13747
191: ok 13748
191: ok 13749
191: ok 13750
191: ok 13751
191: ok 13752
191: ok 13753
191: ok 13754
191: ok 13755
191: ok 13756
191: ok 13757
191: ok 13758
191: ok 13759
191: ok 13760
191: ok 13761
191: ok 13762
191: ok 13763
191: ok 13764
191: ok 13765
191: ok 13766
191: ok 13767
191: ok 13768
191: ok 13769
191: ok 13770
191: ok 13771
191: ok 13772
191: ok 13773
191: ok 13774
191: ok 13775
191: ok 13776
191: ok 13777
191: ok 13778
191: ok 13779
191: ok 13780
191: ok 13781
191: ok 13782
191: ok 13783
191: ok 13784
191: ok 13785
191: ok 13786
191: ok 13787
191: ok 13788
191: ok 13789
191: ok 13790
191: ok 13791
191: ok 13792
191: ok 13793
191: ok 13794
191: ok 13795
191: ok 13796
191: ok 13797
191: ok 13798
191: ok 13799
191: ok 13800
191: ok 13801
191: ok 13802
191: ok 13803
191: ok 13804
191: ok 13805
191: ok 13806
191: ok 13807
191: ok 13808
191: ok 13809
191: ok 13810
191: ok 13811
191: ok 13812
191: ok 13813
191: ok 13814
191: ok 13815
191: ok 13816
191: ok 13817
191: ok 13818
191: ok 13819
191: ok 13820
191: ok 13821
191: ok 13822
191: ok 13823
191: ok 13824
191: ok 13825
191: ok 13826
191: ok 13827
191: ok 13828
191: ok 13829
191: ok 13830
191: ok 13831
191: ok 13832
191: ok 13833
191: ok 13834
191: ok 13835
191: ok 13836
191: ok 13837
191: ok 13838
191: ok 13839
191: ok 13840
191: ok 13841
191: ok 13842
191: ok 13843
191: ok 13844
191: ok 13845
191: ok 13846
191: ok 13847
191: ok 13848
191: ok 13849
191: ok 13850
191: ok 13851
191: ok 13852
191: ok 13853
191: ok 13854
191: ok 13855
191: ok 13856
191: ok 13857
191: ok 13858
191: ok 13859
191: ok 13860
191: ok 13861
191: ok 13862
191: ok 13863
191: ok 13864
191: ok 13865
191: ok 13866
191: ok 13867
191: ok 13868
191: ok 13869
191: ok 13870
191: ok 13871
191: ok 13872
191: ok 13873
191: ok 13874
191: ok 13875
191: ok 13876
191: ok 13877
191: ok 13878
191: ok 13879
191: ok 13880
191: ok 13881
191: ok 13882
191: ok 13883
191: ok 13884
191: ok 13885
191: ok 13886
191: ok 13887
191: ok 13888
191: ok 13889
191: ok 13890
191: ok 13891
191: ok 13892
191: ok 13893
191: ok 13894
191: ok 13895
191: ok 13896
191: ok 13897
191: ok 13898
191: ok 13899
191: ok 13900
191: ok 13901
191: ok 13902
191: ok 13903
191: ok 13904
191: ok 13905
191: ok 13906
191: ok 13907
191: ok 13908
191: ok 13909
191: ok 13910
191: ok 13911
191: ok 13912
191: ok 13913
191: ok 13914
191: ok 13915
191: ok 13916
191: ok 13917
191: ok 13918
191: ok 13919
191: ok 13920
191: ok 13921
191: ok 13922
191: ok 13923
191: ok 13924
191: ok 13925
191: ok 13926
191: ok 13927
191: ok 13928
191: ok 13929
191: ok 13930
191: ok 13931
191: ok 13932
191: ok 13933
191: ok 13934
191: ok 13935
191: ok 13936
191: ok 13937
191: ok 13938
191: ok 13939
191: ok 13940
191: ok 13941
191: ok 13942
191: ok 13943
191: ok 13944
191: ok 13945
191: ok 13946
191: ok 13947
191: ok 13948
191: ok 13949
191: ok 13950
191: ok 13951
191: ok 13952
191: ok 13953
191: ok 13954
191: ok 13955
191: ok 13956
191: ok 13957
191: ok 13958
191: ok 13959
191: ok 13960
191: ok 13961
191: ok 13962
191: ok 13963
191: ok 13964
191: ok 13965
191: ok 13966
191: ok 13967
191: ok 13968
191: ok 13969
191: ok 13970
191: ok 13971
191: ok 13972
191: ok 13973
191: ok 13974
191: ok 13975
191: ok 13976
191: ok 13977
191: ok 13978
191: ok 13979
191: ok 13980
191: ok 13981
191: ok 13982
191: ok 13983
191: ok 13984
191: ok 13985
191: ok 13986
191: ok 13987
191: ok 13988
191: ok 13989
191: ok 13990
191: ok 13991
191: ok 13992
191: ok 13993
191: ok 13994
191: ok 13995
191: ok 13996
191: ok 13997
191: ok 13998
191: ok 13999
191: ok 14000
191: # math: passed testArithmeticOperators
191: # math: entering testDistancesAnglesOrthogonality
191: ok 14001
191: ok 14002
191: ok 14003
191: ok 14004
191: ok 14005
191: ok 14006
191: ok 14007
191: ok 14008
191: ok 14009
191: ok 14010
191: ok 14011
191: ok 14012
191: ok 14013
191: ok 14014
191: ok 14015
191: ok 14016
191: ok 14017
191: ok 14018
191: ok 14019
191: ok 14020
191: ok 14021
191: ok 14022
191: ok 14023
191: ok 14024
191: ok 14025
191: ok 14026
191: ok 14027
191: ok 14028
191: ok 14029
191: ok 14030
191: ok 14031
191: ok 14032
191: ok 14033
191: ok 14034
191: ok 14035
191: ok 14036
191: ok 14037
191: ok 14038
191: ok 14039
191: ok 14040
191: ok 14041
191: ok 14042
191: ok 14043
191: ok 14044
191: ok 14045
191: ok 14046
191: ok 14047
191: ok 14048
191: ok 14049
191: ok 14050
191: ok 14051
191: ok 14052
191: ok 14053
191: ok 14054
191: ok 14055
191: ok 14056
191: ok 14057
191: ok 14058
191: ok 14059
191: ok 14060
191: ok 14061
191: ok 14062
191: ok 14063
191: ok 14064
191: ok 14065
191: ok 14066
191: ok 14067
191: ok 14068
191: ok 14069
191: ok 14070
191: ok 14071
191: ok 14072
191: ok 14073
191: ok 14074
191: ok 14075
191: ok 14076
191: ok 14077
191: ok 14078
191: ok 14079
191: ok 14080
191: ok 14081
191: ok 14082
191: ok 14083
191: ok 14084
191: ok 14085
191: ok 14086
191: ok 14087
191: ok 14088
191: ok 14089
191: ok 14090
191: ok 14091
191: ok 14092
191: ok 14093
191: ok 14094
191: ok 14095
191: ok 14096
191: ok 14097
191: ok 14098
191: ok 14099
191: ok 14100
191: ok 14101
191: ok 14102
191: ok 14103
191: ok 14104
191: ok 14105
191: ok 14106
191: ok 14107
191: ok 14108
191: ok 14109
191: ok 14110
191: ok 14111
191: ok 14112
191: ok 14113
191: ok 14114
191: ok 14115
191: ok 14116
191: ok 14117
191: ok 14118
191: ok 14119
191: ok 14120
191: ok 14121
191: ok 14122
191: ok 14123
191: ok 14124
191: ok 14125
191: ok 14126
191: ok 14127
191: ok 14128
191: ok 14129
191: ok 14130
191: ok 14131
191: ok 14132
191: ok 14133
191: ok 14134
191: ok 14135
191: ok 14136
191: ok 14137
191: ok 14138
191: ok 14139
191: ok 14140
191: ok 14141
191: ok 14142
191: ok 14143
191: ok 14144
191: ok 14145
191: ok 14146
191: ok 14147
191: ok 14148
191: ok 14149
191: ok 14150
191: ok 14151
191: ok 14152
191: ok 14153
191: ok 14154
191: ok 14155
191: ok 14156
191: ok 14157
191: ok 14158
191: ok 14159
191: ok 14160
191: ok 14161
191: ok 14162
191: ok 14163
191: ok 14164
191: ok 14165
191: ok 14166
191: ok 14167
191: ok 14168
191: ok 14169
191: ok 14170
191: ok 14171
191: ok 14172
191: ok 14173
191: ok 14174
191: ok 14175
191: ok 14176
191: ok 14177
191: ok 14178
191: ok 14179
191: ok 14180
191: ok 14181
191: ok 14182
191: ok 14183
191: ok 14184
191: ok 14185
191: ok 14186
191: ok 14187
191: ok 14188
191: ok 14189
191: ok 14190
191: ok 14191
191: ok 14192
191: ok 14193
191: ok 14194
191: ok 14195
191: ok 14196
191: ok 14197
191: ok 14198
191: ok 14199
191: ok 14200
191: ok 14201
191: ok 14202
191: ok 14203
191: ok 14204
191: ok 14205
191: ok 14206
191: ok 14207
191: ok 14208
191: ok 14209
191: ok 14210
191: ok 14211
191: ok 14212
191: ok 14213
191: ok 14214
191: ok 14215
191: ok 14216
191: ok 14217
191: ok 14218
191: ok 14219
191: ok 14220
191: ok 14221
191: ok 14222
191: ok 14223
191: ok 14224
191: ok 14225
191: ok 14226
191: ok 14227
191: ok 14228
191: ok 14229
191: ok 14230
191: ok 14231
191: ok 14232
191: ok 14233
191: ok 14234
191: ok 14235
191: ok 14236
191: ok 14237
191: ok 14238
191: ok 14239
191: ok 14240
191: ok 14241
191: ok 14242
191: ok 14243
191: ok 14244
191: ok 14245
191: ok 14246
191: ok 14247
191: ok 14248
191: ok 14249
191: ok 14250
191: ok 14251
191: ok 14252
191: ok 14253
191: ok 14254
191: ok 14255
191: ok 14256
191: ok 14257
191: ok 14258
191: ok 14259
191: ok 14260
191: ok 14261
191: ok 14262
191: ok 14263
191: ok 14264
191: ok 14265
191: ok 14266
191: ok 14267
191: ok 14268
191: ok 14269
191: ok 14270
191: ok 14271
191: ok 14272
191: ok 14273
191: ok 14274
191: ok 14275
191: ok 14276
191: ok 14277
191: ok 14278
191: ok 14279
191: ok 14280
191: ok 14281
191: ok 14282
191: ok 14283
191: ok 14284
191: ok 14285
191: ok 14286
191: ok 14287
191: ok 14288
191: ok 14289
191: ok 14290
191: ok 14291
191: ok 14292
191: ok 14293
191: ok 14294
191: ok 14295
191: ok 14296
191: ok 14297
191: ok 14298
191: ok 14299
191: ok 14300
191: ok 14301
191: ok 14302
191: ok 14303
191: ok 14304
191: ok 14305
191: ok 14306
191: ok 14307
191: ok 14308
191: ok 14309
191: ok 14310
191: ok 14311
191: ok 14312
191: ok 14313
191: ok 14314
191: ok 14315
191: ok 14316
191: ok 14317
191: ok 14318
191: ok 14319
191: ok 14320
191: ok 14321
191: ok 14322
191: ok 14323
191: ok 14324
191: ok 14325
191: ok 14326
191: ok 14327
191: ok 14328
191: ok 14329
191: ok 14330
191: ok 14331
191: ok 14332
191: ok 14333
191: ok 14334
191: ok 14335
191: ok 14336
191: ok 14337
191: ok 14338
191: ok 14339
191: ok 14340
191: ok 14341
191: ok 14342
191: ok 14343
191: ok 14344
191: ok 14345
191: ok 14346
191: ok 14347
191: ok 14348
191: ok 14349
191: ok 14350
191: ok 14351
191: ok 14352
191: ok 14353
191: ok 14354
191: ok 14355
191: ok 14356
191: ok 14357
191: ok 14358
191: ok 14359
191: ok 14360
191: ok 14361
191: ok 14362
191: ok 14363
191: ok 14364
191: ok 14365
191: ok 14366
191: ok 14367
191: ok 14368
191: ok 14369
191: ok 14370
191: ok 14371
191: ok 14372
191: ok 14373
191: ok 14374
191: ok 14375
191: ok 14376
191: ok 14377
191: ok 14378
191: ok 14379
191: ok 14380
191: ok 14381
191: ok 14382
191: ok 14383
191: ok 14384
191: ok 14385
191: ok 14386
191: ok 14387
191: ok 14388
191: ok 14389
191: ok 14390
191: ok 14391
191: ok 14392
191: ok 14393
191: ok 14394
191: ok 14395
191: ok 14396
191: ok 14397
191: ok 14398
191: ok 14399
191: ok 14400
191: ok 14401
191: ok 14402
191: ok 14403
191: ok 14404
191: ok 14405
191: ok 14406
191: ok 14407
191: ok 14408
191: ok 14409
191: ok 14410
191: ok 14411
191: ok 14412
191: ok 14413
191: ok 14414
191: ok 14415
191: ok 14416
191: ok 14417
191: ok 14418
191: ok 14419
191: ok 14420
191: ok 14421
191: ok 14422
191: ok 14423
191: ok 14424
191: ok 14425
191: ok 14426
191: ok 14427
191: ok 14428
191: ok 14429
191: ok 14430
191: ok 14431
191: ok 14432
191: ok 14433
191: ok 14434
191: ok 14435
191: ok 14436
191: ok 14437
191: ok 14438
191: ok 14439
191: ok 14440
191: ok 14441
191: ok 14442
191: ok 14443
191: ok 14444
191: ok 14445
191: ok 14446
191: ok 14447
191: ok 14448
191: ok 14449
191: ok 14450
191: ok 14451
191: ok 14452
191: ok 14453
191: ok 14454
191: ok 14455
191: ok 14456
191: ok 14457
191: ok 14458
191: ok 14459
191: ok 14460
191: ok 14461
191: ok 14462
191: ok 14463
191: ok 14464
191: ok 14465
191: ok 14466
191: ok 14467
191: ok 14468
191: ok 14469
191: ok 14470
191: ok 14471
191: ok 14472
191: ok 14473
191: ok 14474
191: ok 14475
191: ok 14476
191: ok 14477
191: ok 14478
191: ok 14479
191: ok 14480
191: ok 14481
191: ok 14482
191: ok 14483
191: ok 14484
191: ok 14485
191: ok 14486
191: ok 14487
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191: ok 14489
191: ok 14490
191: ok 14491
191: ok 14492
191: ok 14493
191: ok 14494
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191: ok 14496
191: ok 14497
191: ok 14498
191: ok 14499
191: ok 14500
191: ok 14501
191: ok 14502
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191: ok 14505
191: ok 14506
191: ok 14507
191: ok 14508
191: ok 14509
191: ok 14510
191: ok 14511
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191: ok 14513
191: ok 14514
191: ok 14515
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191: ok 14518
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191: ok 14521
191: ok 14522
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191: ok 14525
191: ok 14526
191: ok 14527
191: ok 14528
191: ok 14529
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191: ok 14531
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191: ok 14534
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191: ok 14556
191: ok 14557
191: ok 14558
191: ok 14559
191: ok 14560
191: ok 14561
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191: ok 14563
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191: ok 14565
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191: ok 14567
191: ok 14568
191: ok 14569
191: ok 14570
191: ok 14571
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191: ok 14579
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191: ok 14598
191: ok 14599
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191: ok 14633
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191: ok 14635
191: ok 14636
191: ok 14637
191: ok 14638
191: ok 14639
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191: ok 14643
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191: ok 14649
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191: ok 14651
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191: ok 14653
191: ok 14654
191: ok 14655
191: ok 14656
191: ok 14657
191: ok 14658
191: ok 14659
191: ok 14660
191: ok 14661
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191: ok 14663
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191: ok 14665
191: ok 14666
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191: ok 14668
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191: ok 14670
191: ok 14671
191: ok 14672
191: ok 14673
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191: ok 14708
191: ok 14709
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191: ok 14720
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191: ok 14725
191: ok 14726
191: ok 14727
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191: ok 14731
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191: ok 14813
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191: ok 14816
191: ok 14817
191: ok 14818
191: ok 14819
191: ok 14820
191: ok 14821
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191: ok 14827
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191: ok 14833
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191: ok 14842
191: ok 14843
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191: ok 14845
191: ok 14846
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191: ok 14854
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191: ok 14866
191: ok 14867
191: ok 14868
191: ok 14869
191: ok 14870
191: ok 14871
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191: ok 14873
191: ok 14874
191: ok 14875
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191: ok 14888
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191: ok 14899
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188/223 Test #179: test_ffmmff94_5 ..................   Passed    4.23 sec
test 192
        Start 192: test_math_3
192: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "3"
192: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
192: Environment variables: 
192:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
192:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
192: Test timeout computed to be: 1500
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189/223 Test #190: test_math_1 ......................   Passed    3.34 sec
191: ok 14911
191: ok 14912
191: ok 14913
191: ok 14914
191: ok 14915
191: ok 14916
191: ok 14917
191: ok 14918
191: ok 14919
191: ok 14920
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191: ok 14924
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191: ok 14928
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191: ok 14933
191: ok 14934
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191: ok 14936
191: ok 14937
191: ok 14938
191: ok 14939
191: ok 14940
191: ok 14941
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191: ok 14953
191: ok 14954
191: ok 14955
191: ok 14956
191: ok 14957
191: ok 14958
191: ok 14959
191: ok 14960
191: ok 14961
191: ok 14962
191: ok 14963
191: ok 14964
191: ok 14965
191: ok 14966
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191: ok 14968
191: ok 14969
191: ok 14970
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191: ok 15385
191: ok 15386
191: ok 15387
191: ok 15388
191: ok 15389
191: ok 15390
191: ok 15391
191: ok 15392
191: ok 15393
191: ok 15394
191: ok 15395
191: ok 15396
191: ok 15397
191: ok 15398
191: ok 15399
191: ok 15400
191: ok 15401
191: ok 15402
191: ok 15403
191: ok 15404
191: ok 15405
191: ok 15406
191: ok 15407
191: ok 15408
191: ok 15409
191: ok 15410
191: ok 15411
191: ok 15412
191: ok 15413
191: ok 15414
191: ok 15415
191: ok 15416
191: ok 15417
191: ok 15418
191: ok 15419
191: ok 15420
191: ok 15421
191: ok 15422
191: ok 15423
191: ok 15424
191: ok 15425
191: ok 15426
191: ok 15427
191: ok 15428
191: ok 15429
191: ok 15430
191: ok 15431
191: ok 15432
191: ok 15433
191: ok 15434
191: ok 15435
191: ok 15436
191: ok 15437
191: ok 15438
191: ok 15439
191: ok 15440
191: ok 15441
191: ok 15442
191: ok 15443
191: ok 15444
191: ok 15445
191: ok 15446
191: ok 15447
191: ok 15448
191: ok 15449
191: ok 15450
191: ok 15451
191: ok 15452
191: ok 15453
191: ok 15454
191: ok 15455
191: ok 15456
191: ok 15457
191: ok 15458
191: ok 15459
191: ok 15460
191: ok 15461
191: ok 15462
191: ok 15463
191: ok 15464
191: ok 15465
191: ok 15466
191: ok 15467
191: ok 15468
191: ok 15469
191: ok 15470
191: ok 15471
191: ok 15472
191: ok 15473
191: ok 15474
191: ok 15475
191: ok 15476
191: ok 15477
191: ok 15478
191: ok 15479
191: ok 15480
191: ok 15481
191: ok 15482
191: ok 15483
191: ok 15484
191: ok 15485
191: ok 15486
191: ok 15487
191: ok 15488
191: ok 15489
191: ok 15490
191: ok 15491
191: ok 15492
191: ok 15493
191: ok 15494
191: ok 15495
191: ok 15496
191: ok 15497
191: ok 15498
191: ok 15499
191: ok 15500
191: ok 15501
191: ok 15502
191: ok 15503
191: ok 15504
191: ok 15505
191: ok 15506
191: ok 15507
191: ok 15508
191: ok 15509
191: ok 15510
191: ok 15511
191: ok 15512
191: ok 15513
191: ok 15514
191: ok 15515
191: ok 15516
191: ok 15517
191: ok 15518
191: ok 15519
191: ok 15520
191: ok 15521
191: ok 15522
191: ok 15523
191: ok 15524
191: ok 15525
191: ok 15526
191: ok 15527
191: ok 15528
191: ok 15529
191: ok 15530
191: ok 15531
191: ok 15532
191: ok 15533
191: ok 15534
191: ok 15535
191: ok 15536
191: ok 15537
191: ok 15538
191: ok 15539
191: ok 15540
191: ok 15541
191: ok 15542
191: ok 15543
191: ok 15544
191: ok 15545
191: ok 15546
191: ok 15547
191: ok 15548
191: ok 15549
191: ok 15550
191: ok 15551
191: ok 15552
191: ok 15553
191: ok 15554
191: ok 15555
191: ok 15556
191: ok 15557
191: ok 15558
191: ok 15559
191: ok 15560
191: ok 15561
191: ok 15562
191: ok 15563
191: ok 15564
191: ok 15565
191: ok 15566
191: ok 15567
191: ok 15568
191: ok 15569
191: ok 15570
191: ok 15571
191: ok 15572
191: ok 15573
191: ok 15574
191: ok 15575
191: ok 15576
191: ok 15577
191: ok 15578
191: ok 15579
191: ok 15580
191: ok 15581
191: ok 15582
191: ok 15583
191: ok 15584
191: ok 15585
191: ok 15586
191: ok 15587
191: ok 15588
191: ok 15589
191: ok 15590
191: ok 15591
191: ok 15592
191: ok 15593
191: ok 15594
191: ok 15595
191: ok 15596
191: ok 15597
191: ok 15598
191: ok 15599
191: ok 15600
191: ok 15601
191: ok 15602
191: ok 15603
191: ok 15604
191: ok 15605
191: ok 15606
191: ok 15607
191: ok 15608
191: ok 15609
191: ok 15610
191: ok 15611
191: ok 15612
191: ok 15613
191: ok 15614
191: ok 15615
191: ok 15616
191: ok 15617
191: ok 15618
191: ok 15619
191: ok 15620
191: ok 15621
191: ok 15622
191: ok 15623
191: ok 15624
191: ok 15625
191: ok 15626
191: ok 15627
191: ok 15628
191: ok 15629
191: ok 15630
191: ok 15631
191: ok 15632
191: ok 15633
191: ok 15634
191: ok 15635
191: ok 15636
191: ok 15637
191: ok 15638
191: ok 15639
191: ok 15640
191: ok 15641
191: ok 15642
191: ok 15643
191: ok 15644
191: ok 15645
191: ok 15646
191: ok 15647
191: ok 15648
191: ok 15649
191: ok 15650
191: ok 15651
191: ok 15652
191: ok 15653
191: ok 15654
191: ok 15655
191: ok 15656
191: ok 15657
191: ok 15658
191: ok 15659
191: ok 15660
191: ok 15661
191: ok 15662
191: ok 15663
191: ok 15664
191: ok 15665
191: ok 15666
191: ok 15667
191: ok 15668
191: ok 15669
191: ok 15670
191: ok 15671
191: ok 15672
191: ok 15673
191: ok 15674
191: ok 15675
191: ok 15676
191: ok 15677
191: ok 15678
191: ok 15679
191: ok 15680
191: ok 15681
191: ok 15682
191: ok 15683
191: ok 15684
191: ok 15685
191: ok 15686
191: ok 15687
191: ok 15688
191: ok 15689
191: ok 15690
191: ok 15691
191: ok 15692
191: ok 15693
191: ok 15694
191: ok 15695
191: ok 15696
191: ok 15697
191: ok 15698
191: ok 15699
191: ok 15700
191: ok 15701
191: ok 15702
191: ok 15703
191: ok 15704
191: ok 15705
191: ok 15706
191: ok 15707
191: ok 15708
191: ok 15709
191: ok 15710
191: ok 15711
191: ok 15712
191: ok 15713
191: ok 15714
191: ok 15715
191: ok 15716
191: ok 15717
191: ok 15718
191: ok 15719
191: ok 15720
191: ok 15721
191: ok 15722
191: ok 15723
191: ok 15724
191: ok 15725
191: ok 15726
191: ok 15727
191: ok 15728
191: ok 15729
191: ok 15730
191: ok 15731
191: ok 15732
191: ok 15733
191: ok 15734
191: ok 15735
191: ok 15736
191: ok 15737
191: ok 15738
191: ok 15739
191: ok 15740
191: ok 15741
191: ok 15742
191: ok 15743
191: ok 15744
191: ok 15745
191: ok 15746
191: ok 15747
191: ok 15748
191: ok 15749
191: ok 15750
191: ok 15751
191: ok 15752
191: ok 15753
191: ok 15754
191: ok 15755
191: ok 15756
191: ok 15757
191: ok 15758
191: ok 15759
191: ok 15760
191: ok 15761
191: ok 15762
191: ok 15763
191: ok 15764
191: ok 15765
191: ok 15766
191: ok 15767
191: ok 15768
191: ok 15769
191: ok 15770
191: ok 15771
191: ok 15772
191: ok 15773
191: ok 15774
191: ok 15775
191: ok 15776
191: ok 15777
191: ok 15778
191: ok 15779
191: ok 15780
191: ok 15781
191: ok 15782
191: ok 15783
191: ok 15784
191: ok 15785
191: ok 15786
191: ok 15787
191: ok 15788
191: ok 15789
191: ok 15790
191: ok 15791
191: ok 15792
191: ok 15793
191: ok 15794
191: ok 15795
191: ok 15796
191: ok 15797
191: ok 15798
191: ok 15799
191: ok 15800
191: ok 15801
191: ok 15802
191: ok 15803
191: ok 15804
191: ok 15805
191: ok 15806
191: ok 15807
191: ok 15808
191: ok 15809
191: ok 15810
191: ok 15811
191: ok 15812
191: ok 15813
191: ok 15814
191: ok 15815
191: ok 15816
191: ok 15817
191: ok 15818
191: ok 15819
191: ok 15820
191: ok 15821
191: ok 15822
191: ok 15823
191: ok 15824
191: ok 15825
191: ok 15826
191: ok 15827
191: ok 15828
191: ok 15829
191: ok 15830
191: ok 15831
191: ok 15832
191: ok 15833
191: ok 15834
191: ok 15835
191: ok 15836
191: ok 15837
191: ok 15838
191: ok 15839
191: ok 15840
191: ok 15841
191: ok 15842
191: ok 15843
191: ok 15844
191: ok 15845
191: ok 15846
191: ok 15847
191: ok 15848
191: ok 15849
191: ok 15850
191: ok 15851
191: ok 15852
191: ok 15853
191: ok 15854
191: ok 15855
191: ok 15856
191: ok 15857
191: ok 15858
191: ok 15859
191: ok 15860
191: ok 15861
191: ok 15862
191: ok 15863
191: ok 15864
191: ok 15865
191: ok 15866
191: ok 15867
191: ok 15868
191: ok 15869
191: ok 15870
191: ok 15871
191: ok 15872
191: ok 15873
191: ok 15874
191: ok 15875
191: ok 15876
191: ok 15877
191: ok 15878
191: ok 15879
191: ok 15880
191: ok 15881
191: ok 15882
191: ok 15883
191: ok 15884
191: ok 15885
191: ok 15886
191: ok 15887
191: ok 15888
191: ok 15889
191: ok 15890
191: ok 15891
191: ok 15892
191: ok 15893
191: ok 15894
191: ok 15895
191: ok 15896
191: ok 15897
191: ok 15898
191: ok 15899
191: ok 15900
191: ok 15901
191: ok 15902
191: ok 15903
191: ok 15904
191: ok 15905
191: ok 15906
191: ok 15907
191: ok 15908
191: ok 15909
191: ok 15910
191: ok 15911
191: ok 15912
191: ok 15913
191: ok 15914
191: ok 15915
191: ok 15916
191: ok 15917
191: ok 15918
191: ok 15919
191: ok 15920
191: ok 15921
191: ok 15922
191: ok 15923
191: ok 15924
191: ok 15925
191: ok 15926
191: ok 15927
191: ok 15928
191: ok 15929
191: ok 15930
191: ok 15931
191: ok 15932
191: ok 15933
191: ok 15934
191: ok 15935
191: ok 15936
191: ok 15937
191: ok 15938
191: ok 15939
191: ok 15940
191: ok 15941
191: ok 15942
191: ok 15943
191: ok 15944
191: ok 15945
191: ok 15946
191: ok 15947
191: ok 15948
191: ok 15949
191: ok 15950
191: ok 15951
191: ok 15952
191: ok 15953
191: ok 15954
191: ok 15955
191: ok 15956
191: ok 15957
191: ok 15958
191: ok 15959
191: ok 15960
191: ok 15961
191: ok 15962
191: ok 15963
191: ok 15964
191: ok 15965
191: ok 15966
191: ok 15967
191: ok 15968
191: ok 15969
191: ok 15970
191: ok 15971
191: ok 15972
191: ok 15973
191: ok 15974
191: ok 15975
191: ok 15976
191: ok 15977
191: ok 15978
191: ok 15979
191: ok 15980
191: ok 15981
191: ok 15982
191: ok 15983
191: ok 15984
191: ok 15985
191: ok 15986
191: ok 15987
191: ok 15988
191: ok 15989
191: ok 15990
191: ok 15991
191: ok 15992
191: ok 15993
191: ok 15994
191: ok 15995
191: ok 15996
191: ok 15997
191: ok 15998
191: ok 15999
191: ok 16000
191: ok 16001
191: ok 16002
191: ok 16003
191: ok 16004
191: ok 16005
191: ok 16006
191: ok 16007
191: ok 16008
191: ok 16009
191: ok 16010
191: ok 16011
191: ok 16012
191: ok 16013
191: ok 16014
191: ok 16015
191: ok 16016
191: ok 16017
191: ok 16018
191: ok 16019
191: ok 16020
191: ok 16021
191: ok 16022
191: ok 16023
191: ok 16024
191: ok 16025
191: ok 16026
191: ok 16027
191: ok 16028
191: ok 16029
191: ok 16030
191: ok 16031
191: ok 16032
191: ok 16033
191: ok 16034
191: ok 16035
191: ok 16036
191: ok 16037
191: ok 16038
191: ok 16039
191: ok 16040
191: ok 16041
191: ok 16042
191: ok 16043
191: ok 16044
191: ok 16045
191: ok 16046
191: ok 16047
191: ok 16048
191: ok 16049
191: ok 16050
191: ok 16051
191: ok 16052
191: ok 16053
191: ok 16054
191: ok 16055
191: ok 16056
191: ok 16057
191: ok 16058
191: ok 16059
191: ok 16060
191: ok 16061
191: ok 16062
191: ok 16063
191: ok 16064
191: ok 16065
191: ok 16066
191: ok 16067
191: ok 16068
191: ok 16069
191: ok 16070
191: ok 16071
191: ok 16072
191: ok 16073
191: ok 16074
191: ok 16075
191: ok 16076
191: ok 16077
191: ok 16078
191: ok 16079
191: ok 16080
191: ok 16081
191: ok 16082
191: ok 16083
191: ok 16084
191: ok 16085
191: ok 16086
191: ok 16087
191: ok 16088
191: ok 16089
191: ok 16090
191: ok 16091
191: ok 16092
191: ok 16093
191: ok 16094
191: ok 16095
191: ok 16096
191: ok 16097
191: ok 16098
191: ok 16099
191: ok 16100
191: ok 16101
191: ok 16102
191: ok 16103
191: ok 16104
191: ok 16105
191: ok 16106
191: ok 16107
191: ok 16108
191: ok 16109
191: ok 16110
191: ok 16111
191: ok 16112
191: ok 16113
191: ok 16114
191: ok 16115
191: ok 16116
191: ok 16117
191: ok 16118
191: ok 16119
191: ok 16120
191: ok 16121
191: ok 16122
191: ok 16123
191: ok 16124
191: ok 16125
191: ok 16126
191: ok 16127
191: ok 16128
191: ok 16129
191: ok 16130
191: ok 16131
191: ok 16132
191: ok 16133
191: ok 16134
191: ok 16135
191: ok 16136
191: ok 16137
191: ok 16138
191: ok 16139
191: ok 16140
191: ok 16141
191: ok 16142
191: ok 16143
191: ok 16144
191: ok 16145
191: ok 16146
191: ok 16147
191: ok 16148
191: ok 16149
191: ok 16150
191: ok 16151
191: ok 16152
191: ok 16153
191: ok 16154
191: ok 16155
191: ok 16156
191: ok 16157
191: ok 16158
191: ok 16159
191: ok 16160
191: ok 16161
191: ok 16162
191: ok 16163
191: ok 16164
191: ok 16165
191: ok 16166
191: ok 16167
191: ok 16168
191: ok 16169
191: ok 16170
191: ok 16171
191: ok 16172
191: ok 16173
191: ok 16174
191: ok 16175
191: ok 16176
191: ok 16177
191: ok 16178
191: ok 16179
191: ok 16180
191: ok 16181
191: ok 16182
191: ok 16183
191: ok 16184
191: ok 16185
191: ok 16186
191: ok 16187
191: ok 16188
191: ok 16189
191: ok 16190
191: ok 16191
191: ok 16192
191: ok 16193
191: ok 16194
191: ok 16195
191: ok 16196
191: ok 16197
191: ok 16198
191: ok 16199
191: ok 16200
191: ok 16201
191: ok 16202
191: ok 16203
191: ok 16204
191: ok 16205
191: ok 16206
191: ok 16207
191: ok 16208
191: ok 16209
191: ok 16210
191: ok 16211
191: ok 16212
191: ok 16213
191: ok 16214
191: ok 16215
191: ok 16216
191: ok 16217
191: ok 16218
191: ok 16219
191: ok 16220
191: ok 16221
191: ok 16222
191: ok 16223
191: ok 16224
191: ok 16225
191: ok 16226
191: ok 16227
191: ok 16228
191: ok 16229
191: ok 16230
191: ok 16231
191: ok 16232
191: ok 16233
191: ok 16234
191: ok 16235
191: ok 16236
191: ok 16237
191: ok 16238
191: ok 16239
191: ok 16240
191: ok 16241
191: ok 16242
191: ok 16243
191: ok 16244
191: ok 16245
191: ok 16246
191: ok 16247
191: ok 16248
191: ok 16249
191: ok 16250
191: ok 16251
191: ok 16252
191: ok 16253
191: ok 16254
191: ok 16255
191: ok 16256
191: ok 16257
191: ok 16258
191: ok 16259
191: ok 16260
191: ok 16261
191: ok 16262
191: ok 16263
191: ok 16264
191: ok 16265
191: ok 16266
191: ok 16267
191: ok 16268
191: ok 16269
191: ok 16270
191: ok 16271
191: ok 16272
191: ok 16273
191: ok 16274
191: ok 16275
191: ok 16276
191: ok 16277
191: ok 16278
191: ok 16279
191: ok 16280
191: ok 16281
191: ok 16282
191: ok 16283
191: ok 16284
191: ok 16285
191: ok 16286
191: ok 16287
191: ok 16288
191: ok 16289
191: ok 16290
191: ok 16291
191: ok 16292
191: ok 16293
191: ok 16294
191: ok 16295
191: ok 16296
191: ok 16297
191: ok 16298
191: ok 16299
191: ok 16300
191: ok 16301
191: ok 16302
191: ok 16303
191: ok 16304
191: ok 16305
191: ok 16306
191: ok 16307
191: ok 16308
191: ok 16309
191: ok 16310
191: ok 16311
191: ok 16312
191: ok 16313
191: ok 16314
191: ok 16315
191: ok 16316
191: ok 16317
191: ok 16318
191: ok 16319
191: ok 16320
191: ok 16321
191: ok 16322
191: ok 16323
191: ok 16324
191: ok 16325
191: ok 16326
191: ok 16327
191: ok 16328
191: ok 16329
191: ok 16330
191: ok 16331
191: ok 16332
191: ok 16333
191: ok 16334
191: ok 16335
191: ok 16336
191: ok 16337
191: ok 16338
191: ok 16339
191: ok 16340
191: ok 16341
191: ok 16342
191: ok 16343
191: ok 16344
191: ok 16345
191: ok 16346
191: ok 16347
191: ok 16348
191: ok 16349
191: ok 16350
191: ok 16351
191: ok 16352
191: ok 16353
191: ok 16354
191: ok 16355
191: ok 16356
191: ok 16357
191: ok 16358
191: ok 16359
191: ok 16360
191: ok 16361
191: ok 16362
191: ok 16363
191: ok 16364
191: ok 16365
191: ok 16366
191: ok 16367
191: ok 16368
191: ok 16369
191: ok 16370
191: ok 16371
191: ok 16372
191: ok 16373
191: ok 16374
191: ok 16375
191: ok 16376
191: ok 16377
191: ok 16378
191: ok 16379
191: ok 16380
191: ok 16381
191: ok 16382
191: ok 16383
191: ok 16384
191: ok 16385
191: ok 16386
191: ok 16387
191: ok 16388
191: ok 16389
191: ok 16390
191: ok 16391
191: ok 16392
191: ok 16393
191: ok 16394
191: ok 16395
191: ok 16396
191: ok 16397
191: ok 16398
191: ok 16399
191: ok 16400
191: ok 16401
191: ok 16402
191: ok 16403
191: ok 16404
191: ok 16405
191: ok 16406
191: ok 16407
191: ok 16408
191: ok 16409
191: ok 16410
191: ok 16411
191: ok 16412
191: ok 16413
191: ok 16414
191: ok 16415
191: ok 16416
191: ok 16417
191: ok 16418
191: ok 16419
191: ok 16420
191: ok 16421
191: ok 16422
191: ok 16423
191: ok 16424
191: ok 16425
191: ok 16426
191: ok 16427
191: ok 16428
191: ok 16429
191: ok 16430
191: ok 16431
191: ok 16432
191: ok 16433
191: ok 16434
191: ok 16435
191: ok 16436
191: ok 16437
191: ok 16438
191: ok 16439
191: ok 16440
191: ok 16441
191: ok 16442
191: ok 16443
191: ok 16444
191: ok 16445
191: ok 16446
191: ok 16447
191: ok 16448
191: ok 16449
191: ok 16450
191: ok 16451
191: ok 16452
191: ok 16453
191: ok 16454
191: ok 16455
191: ok 16456
191: ok 16457
191: ok 16458
191: ok 16459
191: ok 16460
191: ok 16461
191: ok 16462
191: ok 16463
191: ok 16464
191: ok 16465
191: ok 16466
191: ok 16467
191: ok 16468
191: ok 16469
191: ok 16470
191: ok 16471
191: ok 16472
191: ok 16473
191: ok 16474
191: ok 16475
191: ok 16476
191: ok 16477
191: ok 16478
191: ok 16479
191: ok 16480
191: ok 16481
191: ok 16482
191: ok 16483
191: ok 16484
191: ok 16485
191: ok 16486
191: ok 16487
191: ok 16488
191: ok 16489
191: ok 16490
191: ok 16491
191: ok 16492
191: ok 16493
191: ok 16494
191: ok 16495
191: ok 16496
191: ok 16497
191: ok 16498
191: ok 16499
191: ok 16500
191: ok 16501
191: ok 16502
191: ok 16503
191: ok 16504
191: ok 16505
191: ok 16506
191: ok 16507
191: ok 16508
191: ok 16509
191: ok 16510
191: ok 16511
191: ok 16512
191: ok 16513
191: ok 16514
191: ok 16515
191: ok 16516
191: ok 16517
191: ok 16518
191: ok 16519
191: ok 16520
191: ok 16521
191: ok 16522
191: ok 16523
191: ok 16524
191: ok 16525
191: ok 16526
191: ok 16527
191: ok 16528
191: ok 16529
191: ok 16530
191: ok 16531
191: ok 16532
191: ok 16533
191: ok 16534
191: ok 16535
191: ok 16536
191: ok 16537
191: ok 16538
191: ok 16539
191: ok 16540
191: ok 16541
191: ok 16542
191: ok 16543
191: ok 16544
191: ok 16545
191: ok 16546
191: ok 16547
191: ok 16548
191: ok 16549
191: ok 16550
191: ok 16551
191: ok 16552
191: ok 16553
191: ok 16554
191: ok 16555
191: ok 16556
191: ok 16557
191: ok 16558
191: ok 16559
191: ok 16560
191: ok 16561
191: ok 16562
191: ok 16563
191: ok 16564
191: ok 16565
191: ok 16566
191: ok 16567
191: ok 16568
191: ok 16569
191: ok 16570
191: ok 16571
191: ok 16572
191: ok 16573
191: ok 16574
191: ok 16575
191: ok 16576
191: ok 16577
191: ok 16578
191: ok 16579
191: ok 16580
191: ok 16581
191: ok 16582
191: ok 16583
191: ok 16584
191: ok 16585
191: ok 16586
191: ok 16587
191: ok 16588
191: ok 16589
191: ok 16590
191: ok 16591
191: ok 16592
191: ok 16593
191: ok 16594
191: ok 16595
191: ok 16596
191: ok 16597
191: ok 16598
191: ok 16599
191: ok 16600
191: ok 16601
191: ok 16602
191: ok 16603
191: ok 16604
191: ok 16605
191: ok 16606
191: ok 16607
191: ok 16608
191: ok 16609
191: ok 16610
191: ok 16611
191: ok 16612
191: ok 16613
191: ok 16614
191: ok 16615
191: ok 16616
191: ok 16617
191: ok 16618
191: ok 16619
191: ok 16620
191: ok 16621
191: ok 16622
191: ok 16623
191: ok 16624
191: ok 16625
191: ok 16626
191: ok 16627
191: ok 16628
191: ok 16629
191: ok 16630
191: ok 16631
191: ok 16632
191: ok 16633
191: ok 16634
191: ok 16635
191: ok 16636
191: ok 16637
191: ok 16638
191: ok 16639
191: ok 16640
191: ok 16641
191: ok 16642
191: ok 16643
191: ok 16644
191: ok 16645
191: ok 16646
191: ok 16647
191: ok 16648
191: ok 16649
191: ok 16650
191: ok 16651
191: ok 16652
191: ok 16653
191: ok 16654
191: ok 16655
191: ok 16656
191: ok 16657
191: ok 16658
191: ok 16659
191: ok 16660
191: ok 16661
191: ok 16662
191: ok 16663
191: ok 16664
191: ok 16665
191: ok 16666
191: ok 16667
191: ok 16668
191: ok 16669
191: ok 16670
191: ok 16671
191: ok 16672
191: ok 16673
191: ok 16674
191: ok 16675
191: ok 16676
191: ok 16677
191: ok 16678
191: ok 16679
191: ok 16680
191: ok 16681
191: ok 16682
191: ok 16683
191: ok 16684
191: ok 16685
191: ok 16686
191: ok 16687
191: ok 16688
191: ok 16689
191: ok 16690
191: ok 16691
191: ok 16692
191: ok 16693
191: ok 16694
191: ok 16695
191: ok 16696
191: ok 16697
191: ok 16698
191: ok 16699
191: ok 16700
191: ok 16701
191: ok 16702
191: ok 16703
191: ok 16704
191: ok 16705
191: ok 16706
191: ok 16707
191: ok 16708
191: ok 16709
191: ok 16710
191: ok 16711
191: ok 16712
191: ok 16713
191: ok 16714
191: ok 16715
191: ok 16716
191: ok 16717
191: ok 16718
191: ok 16719
191: ok 16720
191: ok 16721
191: ok 16722
191: ok 16723
191: ok 16724
191: ok 16725
191: ok 16726
191: ok 16727
191: ok 16728
191: ok 16729
191: ok 16730
191: ok 16731
191: ok 16732
191: ok 16733
191: ok 16734
191: ok 16735
191: ok 16736
191: ok 16737
191: ok 16738
191: ok 16739
191: ok 16740
191: ok 16741
191: ok 16742
191: ok 16743
191: ok 16744
191: ok 16745
191: ok 16746
191: ok 16747
191: ok 16748
191: ok 16749
191: ok 16750
191: ok 16751
191: ok 16752
191: ok 16753
191: ok 16754
191: ok 16755
191: ok 16756
191: ok 16757
191: ok 16758
191: ok 16759
191: ok 16760
191: ok 16761
191: ok 16762
191: ok 16763
191: ok 16764
191: ok 16765
191: ok 16766
191: ok 16767
191: ok 16768
191: ok 16769
191: ok 16770
191: ok 16771
191: ok 16772
191: ok 16773
191: ok 16774
191: ok 16775
191: ok 16776
191: ok 16777
191: ok 16778
191: ok 16779
191: ok 16780
191: ok 16781
191: ok 16782
191: ok 16783
191: ok 16784
191: ok 16785
191: ok 16786
191: ok 16787
191: ok 16788
191: ok 16789
191: ok 16790
191: ok 16791
191: ok 16792
191: ok 16793
191: ok 16794
191: ok 16795
191: ok 16796
191: ok 16797
191: ok 16798
191: ok 16799
191: ok 16800
191: ok 16801
191: ok 16802
191: ok 16803
191: ok 16804
191: ok 16805
191: ok 16806
191: ok 16807
191: ok 16808
191: ok 16809
191: ok 16810
191: ok 16811
191: ok 16812
191: ok 16813
191: ok 16814
191: ok 16815
191: ok 16816
191: ok 16817
191: ok 16818
191: ok 16819
191: ok 16820
191: ok 16821
191: ok 16822
191: ok 16823
191: ok 16824
191: ok 16825
191: ok 16826
191: ok 16827
191: ok 16828
191: ok 16829
191: ok 16830
191: ok 16831
191: ok 16832
191: ok 16833
191: ok 16834
191: ok 16835
191: ok 16836
191: ok 16837
191: ok 16838
191: ok 16839
191: ok 16840
191: ok 16841
191: ok 16842
191: ok 16843
191: ok 16844
191: ok 16845
191: ok 16846
191: ok 16847
191: ok 16848
191: ok 16849
191: ok 16850
191: ok 16851
191: ok 16852
191: ok 16853
191: ok 16854
191: ok 16855
191: ok 16856
191: ok 16857
191: ok 16858
191: ok 16859
191: ok 16860
191: ok 16861
191: ok 16862
191: ok 16863
191: ok 16864
191: ok 16865
191: ok 16866
191: ok 16867
191: ok 16868
191: ok 16869
191: ok 16870
191: ok 16871
191: ok 16872
191: ok 16873
191: ok 16874
191: ok 16875
191: ok 16876
191: ok 16877
191: ok 16878
191: ok 16879
191: ok 16880
191: ok 16881
191: ok 16882
191: ok 16883
191: ok 16884
191: ok 16885
191: ok 16886
191: ok 16887
191: ok 16888
191: ok 16889
191: ok 16890
191: ok 16891
191: ok 16892
191: ok 16893
191: ok 16894
191: ok 16895
191: ok 16896
191: ok 16897
191: ok 16898
191: ok 16899
191: ok 16900
191: ok 16901
191: ok 16902
191: ok 16903
191: ok 16904
191: ok 16905
191: ok 16906
191: ok 16907
191: ok 16908
191: ok 16909
191: ok 16910
191: ok 16911
191: ok 16912
191: ok 16913
191: ok 16914
191: ok 16915
191: ok 16916
191: ok 16917
191: ok 16918
191: ok 16919
191: ok 16920
191: ok 16921
191: ok 16922
191: ok 16923
191: ok 16924
191: ok 16925
191: ok 16926
191: ok 16927
191: ok 16928
191: ok 16929
191: ok 16930
191: ok 16931
191: ok 16932
191: ok 16933
191: ok 16934
191: ok 16935
191: ok 16936
191: ok 16937
191: ok 16938
191: ok 16939
191: ok 16940
191: ok 16941
191: ok 16942
191: ok 16943
191: ok 16944
191: ok 16945
191: ok 16946
191: ok 16947
191: ok 16948
191: ok 16949
191: ok 16950
191: ok 16951
191: ok 16952
191: ok 16953
191: ok 16954
191: ok 16955
191: ok 16956
191: ok 16957
191: ok 16958
191: ok 16959
191: ok 16960
191: ok 16961
191: ok 16962
191: ok 16963
191: ok 16964
191: ok 16965
191: ok 16966
191: ok 16967
191: ok 16968
191: ok 16969
191: ok 16970
191: ok 16971
191: ok 16972
191: ok 16973
191: ok 16974
191: ok 16975
191: ok 16976
191: ok 16977
191: ok 16978
191: ok 16979
191: ok 16980
191: ok 16981
191: ok 16982
191: ok 16983
191: ok 16984
191: ok 16985
191: ok 16986
191: ok 16987
191: ok 16988
191: ok 16989
191: ok 16990
191: ok 16991
191: ok 16992
191: ok 16993
191: ok 16994
191: ok 16995
191: ok 16996
191: ok 16997
191: ok 16998
191: ok 16999
191: ok 17000
191: ok 17001
191: ok 17002
191: ok 17003
191: ok 17004
191: ok 17005
191: ok 17006
191: ok 17007
191: ok 17008
191: ok 17009
191: ok 17010
191: ok 17011
191: ok 17012
191: ok 17013
191: ok 17014
191: ok 17015
191: ok 17016
191: ok 17017
191: ok 17018
191: ok 17019
191: ok 17020
191: ok 17021
191: ok 17022
191: ok 17023
191: ok 17024
191: ok 17025
191: ok 17026
191: ok 17027
191: ok 17028
191: ok 17029
191: ok 17030
191: ok 17031
191: ok 17032
191: ok 17033
191: ok 17034
191: ok 17035
191: ok 17036
191: ok 17037
191: ok 17038
191: ok 17039
191: ok 17040
191: ok 17041
191: ok 17042
191: ok 17043
191: ok 17044
191: ok 17045
191: ok 17046
191: ok 17047
191: ok 17048
191: ok 17049
191: ok 17050
191: ok 17051
191: ok 17052
191: ok 17053
191: ok 17054
191: ok 17055
191: ok 17056
191: ok 17057
191: ok 17058
191: ok 17059
191: ok 17060
191: ok 17061
191: ok 17062
191: ok 17063
191: ok 17064
191: ok 17065
191: ok 17066
191: ok 17067
191: ok 17068
191: ok 17069
191: ok 17070
191: ok 17071
191: ok 17072
191: ok 17073
191: ok 17074
191: ok 17075
191: ok 17076
191: ok 17077
191: ok 17078
191: ok 17079
191: ok 17080
191: ok 17081
191: ok 17082
191: ok 17083
191: ok 17084
191: ok 17085
191: ok 17086
191: ok 17087
191: ok 17088
191: ok 17089
191: ok 17090
191: ok 17091
191: ok 17092
191: ok 17093
191: ok 17094
191: ok 17095
191: ok 17096
191: ok 17097
191: ok 17098
191: ok 17099
191: ok 17100
191: ok 17101
191: ok 17102
191: ok 17103
191: ok 17104
191: ok 17105
191: ok 17106
191: ok 17107
191: ok 17108
191: ok 17109
191: ok 17110
191: ok 17111
191: ok 17112
191: ok 17113
191: ok 17114
191: ok 17115
191: ok 17116
191: ok 17117
191: ok 17118
191: ok 17119
191: ok 17120
191: ok 17121
191: ok 17122
191: ok 17123
191: ok 17124
191: ok 17125
191: ok 17126
191: ok 17127
191: ok 17128
191: ok 17129
191: ok 17130
191: ok 17131
191: ok 17132
191: ok 17133
191: ok 17134
191: ok 17135
191: ok 17136
191: ok 17137
191: ok 17138
191: ok 17139
191: ok 17140
191: ok 17141
191: ok 17142
191: ok 17143
191: ok 17144
191: ok 17145
191: ok 17146
191: ok 17147
191: ok 17148
191: ok 17149
191: ok 17150
191: ok 17151
191: ok 17152
191: ok 17153
191: ok 17154
191: ok 17155
191: ok 17156
191: ok 17157
191: ok 17158
191: ok 17159
191: ok 17160
191: ok 17161
191: ok 17162
191: ok 17163
191: ok 17164
191: ok 17165
191: ok 17166
191: ok 17167
191: ok 17168
191: ok 17169
191: ok 17170
191: ok 17171
191: ok 17172
191: ok 17173
191: ok 17174
191: ok 17175
191: ok 17176
191: ok 17177
191: ok 17178
191: ok 17179
191: ok 17180
191: ok 17181
191: ok 17182
191: ok 17183
191: ok 17184
191: ok 17185
191: ok 17186
191: ok 17187
191: ok 17188
191: ok 17189
191: ok 17190
191: ok 17191
191: ok 17192
191: ok 17193
191: ok 17194
191: ok 17195
191: ok 17196
191: ok 17197
191: ok 17198
191: ok 17199
191: ok 17200
191: ok 17201
191: ok 17202
191: ok 17203
191: ok 17204
191: ok 17205
191: ok 17206
191: ok 17207
191: ok 17208
191: ok 17209
191: ok 17210
191: ok 17211
191: ok 17212
191: ok 17213
191: ok 17214
191: ok 17215
191: ok 17216
191: ok 17217
191: ok 17218
191: ok 17219
191: ok 17220
191: ok 17221
191: ok 17222
191: ok 17223
191: ok 17224
191: ok 17225
191: ok 17226
191: ok 17227
191: ok 17228
191: ok 17229
191: ok 17230
191: ok 17231
191: ok 17232
191: ok 17233
191: ok 17234
191: ok 17235
191: ok 17236
191: ok 17237
191: ok 17238
191: ok 17239
191: ok 17240
191: ok 17241
191: ok 17242
191: ok 17243
191: ok 17244
191: ok 17245
191: ok 17246
191: ok 17247
191: ok 17248
191: ok 17249
191: ok 17250
191: ok 17251
191: ok 17252
191: ok 17253
191: ok 17254
191: ok 17255
191: ok 17256
191: ok 17257
191: ok 17258
191: ok 17259
191: ok 17260
191: ok 17261
191: ok 17262
191: ok 17263
191: ok 17264
191: ok 17265
191: ok 17266
191: ok 17267
191: ok 17268
191: ok 17269
191: ok 17270
191: ok 17271
191: ok 17272
191: ok 17273
191: ok 17274
191: ok 17275
191: ok 17276
191: ok 17277
191: ok 17278
191: ok 17279
191: ok 17280
191: ok 17281
191: ok 17282
191: ok 17283
191: ok 17284
191: ok 17285
191: ok 17286
191: ok 17287
191: ok 17288
191: ok 17289
191: ok 17290
191: ok 17291
191: ok 17292
191: ok 17293
191: ok 17294
191: ok 17295
191: ok 17296
191: ok 17297
191: ok 17298
191: ok 17299
191: ok 17300
191: ok 17301
191: ok 17302
191: ok 17303
191: ok 17304
191: ok 17305
191: ok 17306
191: ok 17307
191: ok 17308
191: ok 17309
191: ok 17310
191: ok 17311
191: ok 17312
191: ok 17313
191: ok 17314
191: ok 17315
191: ok 17316
191: ok 17317
191: ok 17318
191: ok 17319
191: ok 17320
191: ok 17321
191: ok 17322
191: ok 17323
191: ok 17324
191: ok 17325
191: ok 17326
191: ok 17327
191: ok 17328
191: ok 17329
191: ok 17330
191: ok 17331
191: ok 17332
191: ok 17333
191: ok 17334
191: ok 17335
191: ok 17336
191: ok 17337
191: ok 17338
191: ok 17339
191: ok 17340
191: ok 17341
191: ok 17342
191: ok 17343
191: ok 17344
191: ok 17345
191: ok 17346
191: ok 17347
191: ok 17348
191: ok 17349
191: ok 17350
191: ok 17351
191: ok 17352
191: ok 17353
191: ok 17354
191: ok 17355
191: ok 17356
191: ok 17357
191: ok 17358
191: ok 17359
191: ok 17360
191: ok 17361
191: ok 17362
191: ok 17363
191: ok 17364
191: ok 17365
191: ok 17366
191: ok 17367
191: ok 17368
191: ok 17369
191: ok 17370
191: ok 17371
191: ok 17372
191: ok 17373
191: ok 17374
191: ok 17375
191: ok 17376
191: ok 17377
191: ok 17378
191: ok 17379
191: ok 17380
191: ok 17381
191: ok 17382
191: ok 17383
191: ok 17384
191: ok 17385
191: ok 17386
191: ok 17387
191: ok 17388
191: ok 17389
191: ok 17390
191: ok 17391
191: ok 17392
191: ok 17393
191: ok 17394
191: ok 17395
191: ok 17396
191: ok 17397
191: ok 17398
191: ok 17399
191: ok 17400
191: ok 17401
191: ok 17402
191: ok 17403
191: ok 17404
191: ok 17405
191: ok 17406
191: ok 17407
191: ok 17408
191: ok 17409
191: ok 17410
191: ok 17411
191: ok 17412
191: ok 17413
191: ok 17414
191: ok 17415
191: ok 17416
191: ok 17417
191: ok 17418
191: ok 17419
191: ok 17420
191: ok 17421
191: ok 17422
191: ok 17423
191: ok 17424
191: ok 17425
191: ok 17426
191: ok 17427
191: ok 17428
191: ok 17429
191: ok 17430
191: ok 17431
191: ok 17432
191: ok 17433
191: ok 17434
191: ok 17435
191: ok 17436
191: ok 17437
191: ok 17438
191: ok 17439
191: ok 17440
191: ok 17441
191: ok 17442
191: ok 17443
191: ok 17444
191: ok 17445
191: ok 17446
191: ok 17447
191: ok 17448
191: ok 17449
191: ok 17450
191: ok 17451
191: ok 17452
191: ok 17453
191: ok 17454
191: ok 17455
191: ok 17456
191: ok 17457
191: ok 17458
191: ok 17459
191: ok 17460
191: ok 17461
191: ok 17462
191: ok 17463
191: ok 17464
191: ok 17465
191: ok 17466
191: ok 17467
191: ok 17468
191: ok 17469
191: ok 17470
191: ok 17471
191: ok 17472
191: ok 17473
191: ok 17474
191: ok 17475
191: ok 17476
191: ok 17477
191: ok 17478
191: ok 17479
191: ok 17480
191: ok 17481
191: ok 17482
191: ok 17483
191: ok 17484
191: ok 17485
191: ok 17486
191: ok 17487
191: ok 17488
191: ok 17489
191: ok 17490
191: ok 17491
191: ok 17492
191: ok 17493
191: ok 17494
191: ok 17495
191: ok 17496
191: ok 17497
191: ok 17498
191: ok 17499
191: ok 17500
191: ok 17501
191: ok 17502
191: ok 17503
191: ok 17504
191: ok 17505
191: ok 17506
191: ok 17507
191: ok 17508
191: ok 17509
191: ok 17510
191: ok 17511
191: ok 17512
191: ok 17513
191: ok 17514
191: ok 17515
191: ok 17516
191: ok 17517
191: ok 17518
191: ok 17519
191: ok 17520
191: ok 17521
191: ok 17522
191: ok 17523
191: ok 17524
191: ok 17525
191: ok 17526
191: ok 17527
191: ok 17528
191: ok 17529
191: ok 17530
191: ok 17531
191: ok 17532
191: ok 17533
191: ok 17534
191: ok 17535
191: ok 17536
191: ok 17537
191: ok 17538
191: ok 17539
191: ok 17540
191: ok 17541
191: ok 17542
191: ok 17543
191: ok 17544
191: ok 17545
191: ok 17546
191: ok 17547
191: ok 17548
191: ok 17549
191: ok 17550
191: ok 17551
191: ok 17552
191: ok 17553
191: ok 17554
191: ok 17555
191: ok 17556
191: ok 17557
191: ok 17558
191: ok 17559
191: ok 17560
191: ok 17561
191: ok 17562
191: ok 17563
191: ok 17564
191: ok 17565
191: ok 17566
191: ok 17567
191: ok 17568
191: ok 17569
191: ok 17570
191: ok 17571
191: ok 17572
191: ok 17573
191: ok 17574
191: ok 17575
191: ok 17576
191: ok 17577
191: ok 17578
191: ok 17579
191: ok 17580
191: ok 17581
191: ok 17582
191: ok 17583
191: ok 17584
191: ok 17585
191: ok 17586
191: ok 17587
191: ok 17588
191: ok 17589
191: ok 17590
191: ok 17591
191: ok 17592
191: ok 17593
191: ok 17594
191: ok 17595
191: ok 17596
191: ok 17597
191: ok 17598
191: ok 17599
191: ok 17600
191: ok 17601
191: ok 17602
191: ok 17603
191: ok 17604
191: ok 17605
191: ok 17606
191: ok 17607
191: ok 17608
191: ok 17609
191: ok 17610
191: ok 17611
191: ok 17612
191: ok 17613
191: ok 17614
191: ok 17615
191: ok 17616
191: ok 17617
191: ok 17618
191: ok 17619
191: ok 17620
191: ok 17621
191: ok 17622
191: ok 17623
191: ok 17624
191: ok 17625
191: ok 17626
191: ok 17627
191: ok 17628
191: ok 17629
191: ok 17630
191: ok 17631
191: ok 17632
191: ok 17633
191: ok 17634
191: ok 17635
191: ok 17636
191: ok 17637
191: ok 17638
191: ok 17639
191: ok 17640
191: ok 17641
191: ok 17642
191: ok 17643
191: ok 17644
191: ok 17645
191: ok 17646
191: ok 17647
191: ok 17648
191: ok 17649
191: ok 17650
191: ok 17651
191: ok 17652
191: ok 17653
191: ok 17654
191: ok 17655
191: ok 17656
191: ok 17657
191: ok 17658
191: ok 17659
191: ok 17660
191: ok 17661
191: ok 17662
191: ok 17663
191: ok 17664
191: ok 17665
191: ok 17666
191: ok 17667
191: ok 17668
191: ok 17669
191: ok 17670
191: ok 17671
191: ok 17672
191: ok 17673
191: ok 17674
191: ok 17675
191: ok 17676
191: ok 17677
191: ok 17678
191: ok 17679
191: ok 17680
191: ok 17681
191: ok 17682
191: ok 17683
191: ok 17684
191: ok 17685
191: ok 17686
191: ok 17687
191: ok 17688
191: ok 17689
191: ok 17690
191: ok 17691
191: ok 17692
191: ok 17693
191: ok 17694
191: ok 17695
191: ok 17696
191: ok 17697
191: ok 17698
191: ok 17699
191: ok 17700
191: ok 17701
191: ok 17702
191: ok 17703
191: ok 17704
191: ok 17705
191: ok 17706
191: ok 17707
191: ok 17708
191: ok 17709
191: ok 17710
191: ok 17711
191: ok 17712
191: ok 17713
191: ok 17714
191: ok 17715
191: ok 17716
191: ok 17717
191: ok 17718
191: ok 17719
191: ok 17720
191: ok 17721
191: ok 17722
191: ok 17723
191: ok 17724
191: ok 17725
191: ok 17726
191: ok 17727
191: ok 17728
191: ok 17729
191: ok 17730
191: ok 17731
191: ok 17732
191: ok 17733
191: ok 17734
191: ok 17735
191: ok 17736
191: ok 17737
191: ok 17738
191: ok 17739
191: ok 17740
191: ok 17741
191: ok 17742
191: ok 17743
191: ok 17744
191: ok 17745
191: ok 17746
191: ok 17747
191: ok 17748
191: ok 17749
191: ok 17750
191: ok 17751
191: ok 17752
191: ok 17753
191: ok 17754
191: ok 17755
191: ok 17756
191: ok 17757
191: ok 17758
191: ok 17759
191: ok 17760
191: ok 17761
191: ok 17762
191: ok 17763
191: ok 17764
191: ok 17765
191: ok 17766
191: ok 17767
191: ok 17768
191: ok 17769
191: ok 17770
191: ok 17771
191: ok 17772
191: ok 17773
191: ok 17774
191: ok 17775
191: ok 17776
191: ok 17777
191: ok 17778
191: ok 17779
191: ok 17780
191: ok 17781
191: ok 17782
191: ok 17783
191: ok 17784
191: ok 17785
191: ok 17786
191: ok 17787
191: ok 17788
191: ok 17789
191: ok 17790
191: ok 17791
191: ok 17792
191: ok 17793
191: ok 17794
191: ok 17795
191: ok 17796
191: ok 17797
191: ok 17798
191: ok 17799
191: ok 17800
191: ok 17801
191: ok 17802
191: ok 17803
191: ok 17804
191: ok 17805
191: ok 17806
191: ok 17807
191: ok 17808
191: ok 17809
191: ok 17810
191: ok 17811
191: ok 17812
191: ok 17813
191: ok 17814
191: ok 17815
191: ok 17816
191: ok 17817
191: ok 17818
191: ok 17819
191: ok 17820
191: ok 17821
191: ok 17822
191: ok 17823
191: ok 17824
191: ok 17825
191: ok 17826
191: ok 17827
191: ok 17828
191: ok 17829
191: ok 17830
191: ok 17831
191: ok 17832
191: ok 17833
191: ok 17834
191: ok 17835
191: ok 17836
191: ok 17837
191: ok 17838
191: ok 17839
191: ok 17840
191: ok 17841
191: ok 17842
191: ok 17843
191: ok 17844
191: ok 17845
191: ok 17846
191: ok 17847
191: ok 17848
191: ok 17849
191: ok 17850
191: ok 17851
191: ok 17852
191: ok 17853
191: ok 17854
191: ok 17855
191: ok 17856
191: ok 17857
191: ok 17858
191: ok 17859
191: ok 17860
191: ok 17861
191: ok 17862
191: ok 17863
191: ok 17864
191: ok 17865
191: ok 17866
191: ok 17867
191: ok 17868
191: ok 17869
191: ok 17870
191: ok 17871
191: ok 17872
191: ok 17873
191: ok 17874
191: ok 17875
191: ok 17876
191: ok 17877
191: ok 17878
191: ok 17879
191: ok 17880
191: ok 17881
191: ok 17882
191: ok 17883
191: ok 17884
191: ok 17885
191: ok 17886
191: ok 17887
191: ok 17888
191: ok 17889
191: ok 17890
191: ok 17891
191: ok 17892
191: ok 17893
191: ok 17894
191: ok 17895
191: ok 17896
191: ok 17897
191: ok 17898
191: ok 17899
191: ok 17900
191: ok 17901
191: ok 17902
191: ok 17903
191: ok 17904
191: ok 17905
191: ok 17906
191: ok 17907
191: ok 17908
191: ok 17909
191: ok 17910
191: ok 17911
191: ok 17912
191: ok 17913
191: ok 17914
191: ok 17915
191: ok 17916
191: ok 17917
191: ok 17918
191: ok 17919
191: ok 17920
191: ok 17921
191: ok 17922
191: ok 17923
191: ok 17924
191: ok 17925
191: ok 17926
191: ok 17927
191: ok 17928
191: ok 17929
191: ok 17930
191: ok 17931
191: ok 17932
191: ok 17933
191: ok 17934
191: ok 17935
191: ok 17936
191: ok 17937
191: ok 17938
191: ok 17939
191: ok 17940
191: ok 17941
191: ok 17942
191: ok 17943
191: ok 17944
191: ok 17945
191: ok 17946
191: ok 17947
191: ok 17948
191: ok 17949
191: ok 17950
191: ok 17951
191: ok 17952
191: ok 17953
191: ok 17954
191: ok 17955
191: ok 17956
191: ok 17957
191: ok 17958
191: ok 17959
191: ok 17960
191: ok 17961
191: ok 17962
191: ok 17963
191: ok 17964
191: ok 17965
191: ok 17966
191: ok 17967
191: ok 17968
191: ok 17969
191: ok 17970
191: ok 17971
191: ok 17972
191: ok 17973
191: ok 17974
191: ok 17975
191: ok 17976
191: ok 17977
191: ok 17978
191: ok 17979
191: ok 17980
191: ok 17981
191: ok 17982
191: ok 17983
191: ok 17984
191: ok 17985
191: ok 17986
191: ok 17987
191: ok 17988
191: ok 17989
191: ok 17990
191: ok 17991
191: ok 17992
191: ok 17993
191: ok 17994
191: ok 17995
191: ok 17996
191: ok 17997
191: ok 17998
191: ok 17999
191: ok 18000
191: ok 18001
191: ok 18002
191: ok 18003
191: ok 18004
191: ok 18005
191: ok 18006
191: ok 18007
191: ok 18008
191: ok 18009
191: ok 18010
191: ok 18011
191: ok 18012
191: ok 18013
191: ok 18014
191: ok 18015
191: ok 18016
191: ok 18017
191: ok 18018
191: ok 18019
191: ok 18020
191: ok 18021
191: ok 18022
191: ok 18023
191: ok 18024
191: ok 18025
191: ok 18026
191: ok 18027
191: ok 18028
191: ok 18029
191: ok 18030
191: ok 18031
191: ok 18032
191: ok 18033
191: ok 18034
191: ok 18035
191: ok 18036
191: ok 18037
191: ok 18038
191: ok 18039
191: ok 18040
191: ok 18041
191: ok 18042
191: ok 18043
191: ok 18044
191: ok 18045
191: ok 18046
191: ok 18047
191: ok 18048
191: ok 18049
191: ok 18050
191: ok 18051
191: ok 18052
191: ok 18053
191: ok 18054
191: ok 18055
191: ok 18056
191: ok 18057
191: ok 18058
191: ok 18059
191: ok 18060
191: ok 18061
191: ok 18062
191: ok 18063
191: ok 18064
191: ok 18065
191: ok 18066
191: ok 18067
191: ok 18068
191: ok 18069
191: ok 18070
191: ok 18071
191: ok 18072
191: ok 18073
191: ok 18074
191: ok 18075
191: ok 18076
191: ok 18077
191: ok 18078
191: ok 18079
191: ok 18080
191: ok 18081
191: ok 18082
191: ok 18083
191: ok 18084
191: ok 18085
191: ok 18086
191: ok 18087
191: ok 18088
191: ok 18089
191: ok 18090
191: ok 18091
191: ok 18092
191: ok 18093
191: ok 18094
191: ok 18095
191: ok 18096
191: ok 18097
191: ok 18098
191: ok 18099
191: ok 18100
191: ok 18101
191: ok 18102
191: ok 18103
191: ok 18104
191: ok 18105
191: ok 18106
191: ok 18107
191: ok 18108
191: ok 18109
191: ok 18110
191: ok 18111
191: ok 18112
191: ok 18113
191: ok 18114
191: ok 18115
191: ok 18116
191: ok 18117
191: ok 18118
191: ok 18119
191: ok 18120
191: ok 18121
191: ok 18122
191: ok 18123
191: ok 18124
191: ok 18125
191: ok 18126
191: ok 18127
191: ok 18128
191: ok 18129
191: ok 18130
191: ok 18131
191: ok 18132
191: ok 18133
191: ok 18134
191: ok 18135
191: ok 18136
191: ok 18137
191: ok 18138
191: ok 18139
191: ok 18140
191: ok 18141
191: ok 18142
191: ok 18143
191: ok 18144
191: ok 18145
191: ok 18146
191: ok 18147
191: ok 18148
191: ok 18149
191: ok 18150
191: ok 18151
191: ok 18152
191: ok 18153
191: ok 18154
191: ok 18155
191: ok 18156
191: ok 18157
191: ok 18158
191: ok 18159
191: ok 18160
191: ok 18161
191: ok 18162
191: ok 18163
191: ok 18164
191: ok 18165
191: ok 18166
191: ok 18167
191: ok 18168
191: ok 18169
191: ok 18170
191: ok 18171
191: ok 18172
191: ok 18173
191: ok 18174
191: ok 18175
191: ok 18176
191: ok 18177
191: ok 18178
191: ok 18179
191: ok 18180
191: ok 18181
191: ok 18182
191: ok 18183
191: ok 18184
191: ok 18185
191: ok 18186
191: ok 18187
191: ok 18188
191: ok 18189
191: ok 18190
191: ok 18191
191: ok 18192
191: ok 18193
191: ok 18194
191: ok 18195
191: ok 18196
191: ok 18197
191: ok 18198
191: ok 18199
191: ok 18200
191: ok 18201
191: ok 18202
191: ok 18203
191: ok 18204
191: ok 18205
191: ok 18206
191: ok 18207
191: ok 18208
191: ok 18209
191: ok 18210
191: ok 18211
191: ok 18212
191: ok 18213
191: ok 18214
191: ok 18215
191: ok 18216
191: ok 18217
191: ok 18218
191: ok 18219
191: ok 18220
191: ok 18221
191: ok 18222
191: ok 18223
191: ok 18224
191: ok 18225
191: ok 18226
191: ok 18227
191: ok 18228
191: ok 18229
191: ok 18230
191: ok 18231
191: ok 18232
191: ok 18233
191: ok 18234
191: ok 18235
191: ok 18236
191: ok 18237
191: ok 18238
191: ok 18239
191: ok 18240
191: ok 18241
191: ok 18242
191: ok 18243
191: ok 18244
191: ok 18245
191: ok 18246
191: ok 18247
191: ok 18248
191: ok 18249
191: ok 18250
191: ok 18251
191: ok 18252
191: ok 18253
191: ok 18254
191: ok 18255
191: ok 18256
191: ok 18257
191: ok 18258
191: ok 18259
191: ok 18260
191: ok 18261
191: ok 18262
191: ok 18263
191: ok 18264
191: ok 18265
191: ok 18266
191: ok 18267
191: ok 18268
191: ok 18269
191: ok 18270
191: ok 18271
191: ok 18272
191: ok 18273
191: ok 18274
191: ok 18275
191: ok 18276
191: ok 18277
191: ok 18278
191: ok 18279
191: ok 18280
191: ok 18281
191: ok 18282
191: ok 18283
191: ok 18284
191: ok 18285
191: ok 18286
191: ok 18287
191: ok 18288
191: ok 18289
191: ok 18290
191: ok 18291
191: ok 18292
191: ok 18293
191: ok 18294
191: ok 18295
191: ok 18296
191: ok 18297
191: ok 18298
191: ok 18299
191: ok 18300
191: ok 18301
191: ok 18302
191: ok 18303
191: ok 18304
191: ok 18305
191: ok 18306
191: ok 18307
191: ok 18308
191: ok 18309
191: ok 18310
191: ok 18311
191: ok 18312
191: ok 18313
191: ok 18314
191: ok 18315
191: ok 18316
191: ok 18317
191: ok 18318
191: ok 18319
191: ok 18320
191: ok 18321
191: ok 18322
191: ok 18323
191: ok 18324
191: ok 18325
191: ok 18326
191: ok 18327
191: ok 18328
191: ok 18329
191: ok 18330
191: ok 18331
191: ok 18332
191: ok 18333
191: ok 18334
191: ok 18335
191: ok 18336
191: ok 18337
191: ok 18338
191: ok 18339
191: ok 18340
191: ok 18341
191: ok 18342
191: ok 18343
191: ok 18344
191: ok 18345
191: ok 18346
191: ok 18347
191: ok 18348
191: ok 18349
191: ok 18350
191: ok 18351
191: ok 18352
191: ok 18353
191: ok 18354
191: ok 18355
191: ok 18356
191: ok 18357
191: ok 18358
191: ok 18359
191: ok 18360
191: ok 18361
191: ok 18362
191: ok 18363
191: ok 18364
191: ok 18365
191: ok 18366
191: ok 18367
191: ok 18368
191: ok 18369
191: ok 18370
191: ok 18371
191: ok 18372
191: ok 18373
191: ok 18374
191: ok 18375
191: ok 18376
191: ok 18377
191: ok 18378
191: ok 18379
191: ok 18380
191: ok 18381
191: ok 18382
191: ok 18383
191: ok 18384
191: ok 18385
191: ok 18386
191: ok 18387
191: ok 18388
191: ok 18389
191: ok 18390
191: ok 18391
191: ok 18392
191: ok 18393
191: ok 18394
191: ok 18395
191: ok 18396
191: ok 18397
191: ok 18398
191: ok 18399
191: ok 18400
191: ok 18401
191: ok 18402
191: ok 18403
191: ok 18404
191: ok 18405
191: ok 18406
191: ok 18407
191: ok 18408
191: ok 18409
191: ok 18410
191: ok 18411
191: ok 18412
191: ok 18413
191: ok 18414
191: ok 18415
191: ok 18416
191: ok 18417
191: ok 18418
191: ok 18419
191: ok 18420
191: ok 18421
191: ok 18422
191: ok 18423
191: ok 18424
191: ok 18425
191: ok 18426
191: ok 18427
191: ok 18428
191: ok 18429
191: ok 18430
191: ok 18431
191: ok 18432
191: ok 18433
191: ok 18434
191: ok 18435
191: ok 18436
191: ok 18437
191: ok 18438
191: ok 18439
191: ok 18440
191: ok 18441
191: ok 18442
191: ok 18443
191: ok 18444
191: ok 18445
191: ok 18446
191: ok 18447
191: ok 18448
191: ok 18449
191: ok 18450
191: ok 18451
191: ok 18452
191: ok 18453
191: ok 18454
191: ok 18455
191: ok 18456
191: ok 18457
191: ok 18458
191: ok 18459
191: ok 18460
191: ok 18461
191: ok 18462
191: ok 18463
191: ok 18464
191: ok 18465
191: ok 18466
191: ok 18467
191: ok 18468
191: ok 18469
191: ok 18470
191: ok 18471
191: ok 18472
191: ok 18473
191: ok 18474
191: ok 18475
191: ok 18476
191: ok 18477
191: ok 18478
191: ok 18479
191: ok 18480
191: ok 18481
191: ok 18482
191: ok 18483
191: ok 18484
191: ok 18485
191: ok 18486
191: ok 18487
191: ok 18488
191: ok 18489
191: ok 18490
191: ok 18491
191: ok 18492
191: ok 18493
191: ok 18494
191: ok 18495
191: ok 18496
191: ok 18497
191: ok 18498
191: ok 18499
191: ok 18500
191: ok 18501
191: ok 18502
191: ok 18503
191: ok 18504
191: ok 18505
191: ok 18506
191: ok 18507
191: ok 18508
191: ok 18509
191: ok 18510
191: ok 18511
191: ok 18512
191: ok 18513
191: ok 18514
191: ok 18515
191: ok 18516
191: ok 18517
191: ok 18518
191: ok 18519
191: ok 18520
191: ok 18521
191: ok 18522
191: ok 18523
191: ok 18524
191: ok 18525
191: ok 18526
191: ok 18527
191: ok 18528
191: ok 18529
191: ok 18530
191: ok 18531
191: ok 18532
191: ok 18533
191: ok 18534
191: ok 18535
191: ok 18536
191: ok 18537
191: ok 18538
191: ok 18539
191: ok 18540
191: ok 18541
191: ok 18542
191: ok 18543
191: ok 18544
191: ok 18545
191: ok 18546
191: ok 18547
191: ok 18548
191: ok 18549
191: ok 18550
191: ok 18551
191: ok 18552
191: ok 18553
191: ok 18554
191: ok 18555
191: ok 18556
191: ok 18557
191: ok 18558
191: ok 18559
191: ok 18560
191: ok 18561
191: ok 18562
191: ok 18563
191: ok 18564
191: ok 18565
191: ok 18566
191: ok 18567
191: ok 18568
191: ok 18569
191: ok 18570
191: ok 18571
191: ok 18572
191: ok 18573
191: ok 18574
191: ok 18575
191: ok 18576
191: ok 18577
191: ok 18578
191: ok 18579
191: ok 18580
191: ok 18581
191: ok 18582
191: ok 18583
191: ok 18584
191: ok 18585
191: ok 18586
191: ok 18587
191: ok 18588
191: ok 18589
191: ok 18590
191: ok 18591
191: ok 18592
191: ok 18593
191: ok 18594
191: ok 18595
191: ok 18596
191: ok 18597
191: ok 18598
191: ok 18599
191: ok 18600
191: ok 18601
191: ok 18602
191: ok 18603
191: ok 18604
191: ok 18605
191: ok 18606
191: ok 18607
191: ok 18608
191: ok 18609
191: ok 18610
191: ok 18611
191: ok 18612
191: ok 18613
191: ok 18614
191: ok 18615
191: ok 18616
191: ok 18617
191: ok 18618
191: ok 18619
191: ok 18620
191: ok 18621
191: ok 18622
191: ok 18623
191: ok 18624
191: ok 18625
191: ok 18626
191: ok 18627
191: ok 18628
191: ok 18629
191: ok 18630
191: ok 18631
191: ok 18632
191: ok 18633
191: ok 18634
191: ok 18635
191: ok 18636
191: ok 18637
191: ok 18638
191: ok 18639
191: ok 18640
191: ok 18641
191: ok 18642
191: ok 18643
191: ok 18644
191: ok 18645
191: ok 18646
191: ok 18647
191: ok 18648
191: ok 18649
191: ok 18650
191: ok 18651
191: ok 18652
191: ok 18653
191: ok 18654
191: ok 18655
191: ok 18656
191: ok 18657
191: ok 18658
191: ok 18659
191: ok 18660
191: ok 18661
191: ok 18662
191: ok 18663
191: ok 18664
191: ok 18665
191: ok 18666
191: ok 18667
191: ok 18668
191: ok 18669
191: ok 18670
191: ok 18671
191: ok 18672
191: ok 18673
191: ok 18674
191: ok 18675
191: ok 18676
191: ok 18677
191: ok 18678
191: ok 18679
191: ok 18680
191: ok 18681
191: ok 18682
191: ok 18683
191: ok 18684
191: ok 18685
191: ok 18686
191: ok 18687
191: ok 18688
191: ok 18689
191: ok 18690
191: ok 18691
191: ok 18692
191: ok 18693
191: ok 18694
191: ok 18695
191: ok 18696
191: ok 18697
191: ok 18698
191: ok 18699
191: ok 18700
191: ok 18701
191: ok 18702
191: ok 18703
191: ok 18704
191: ok 18705
191: ok 18706
191: ok 18707
191: ok 18708
191: ok 18709
191: ok 18710
191: ok 18711
191: ok 18712
191: ok 18713
191: ok 18714
191: ok 18715
191: ok 18716
191: ok 18717
191: ok 18718
191: ok 18719
191: ok 18720
191: ok 18721
191: ok 18722
191: ok 18723
191: ok 18724
191: ok 18725
191: ok 18726
191: ok 18727
191: ok 18728
191: ok 18729
191: ok 18730
191: ok 18731
191: ok 18732
191: ok 18733
191: ok 18734
191: ok 18735
191: ok 18736
191: ok 18737
191: ok 18738
191: ok 18739
191: ok 18740
191: ok 18741
191: ok 18742
191: ok 18743
191: ok 18744
191: ok 18745
191: ok 18746
191: ok 18747
191: ok 18748
191: ok 18749
191: ok 18750
191: ok 18751
191: ok 18752
191: ok 18753
191: ok 18754
191: ok 18755
191: ok 18756
191: ok 18757
191: ok 18758
191: ok 18759
191: ok 18760
191: ok 18761
191: ok 18762
191: ok 18763
191: ok 18764
191: ok 18765
191: ok 18766
191: ok 18767
191: ok 18768
191: ok 18769
191: ok 18770
191: ok 18771
191: ok 18772
191: ok 18773
191: ok 18774
191: ok 18775
191: ok 18776
191: ok 18777
191: ok 18778
191: ok 18779
191: ok 18780
191: ok 18781
191: ok 18782
191: ok 18783
191: ok 18784
191: ok 18785
191: ok 18786
191: ok 18787
191: ok 18788
191: ok 18789
191: ok 18790
191: ok 18791
191: ok 18792
191: ok 18793
191: ok 18794
191: ok 18795
191: ok 18796
191: ok 18797
191: ok 18798
191: ok 18799
191: ok 18800
191: ok 18801
191: ok 18802
191: ok 18803
191: ok 18804
191: ok 18805
191: ok 18806
191: ok 18807
191: ok 18808
191: ok 18809
191: ok 18810
191: ok 18811
191: ok 18812
191: ok 18813
191: ok 18814
191: ok 18815
191: ok 18816
191: ok 18817
191: ok 18818
191: ok 18819
191: ok 18820
191: ok 18821
191: ok 18822
191: ok 18823
191: ok 18824
191: ok 18825
191: ok 18826
191: ok 18827
191: ok 18828
191: ok 18829
191: ok 18830
191: ok 18831
191: ok 18832
191: ok 18833
191: ok 18834
191: ok 18835
191: ok 18836
191: ok 18837
191: ok 18838
191: ok 18839
191: ok 18840
191: ok 18841
191: ok 18842
191: ok 18843
191: ok 18844
191: ok 18845
191: ok 18846
191: ok 18847
191: ok 18848
191: ok 18849
191: ok 18850
191: ok 18851
191: ok 18852
191: ok 18853
191: ok 18854
191: ok 18855
191: ok 18856
191: ok 18857
191: ok 18858
191: ok 18859
191: ok 18860
191: ok 18861
191: ok 18862
191: ok 18863
191: ok 18864
191: ok 18865
191: ok 18866
191: ok 18867
191: ok 18868
191: ok 18869
191: ok 18870
191: ok 18871
191: ok 18872
191: ok 18873
191: ok 18874
191: ok 18875
191: ok 18876
191: ok 18877
191: ok 18878
191: ok 18879
191: ok 18880
191: ok 18881
191: ok 18882
191: ok 18883
191: ok 18884
191: ok 18885
191: ok 18886
191: ok 18887
191: ok 18888
191: ok 18889
191: ok 18890
191: ok 18891
191: ok 18892
191: ok 18893
191: ok 18894
191: ok 18895
191: ok 18896
191: ok 18897
191: ok 18898
191: ok 18899
191: ok 18900
191: ok 18901
191: ok 18902
191: ok 18903
191: ok 18904
191: ok 18905
191: ok 18906
191: ok 18907
191: ok 18908
191: ok 18909
191: ok 18910
191: ok 18911
191: ok 18912
191: ok 18913
191: ok 18914
191: ok 18915
191: ok 18916
191: ok 18917
191: ok 18918
191: ok 18919
191: ok 18920
191: ok 18921
191: ok 18922
191: ok 18923
191: ok 18924
191: ok 18925
191: ok 18926
191: ok 18927
191: ok 18928
191: ok 18929
191: ok 18930
191: ok 18931
191: ok 18932
191: ok 18933
191: ok 18934
191: ok 18935
191: ok 18936
191: ok 18937
191: ok 18938
191: ok 18939
191: ok 18940
191: ok 18941
191: ok 18942
191: ok 18943
191: ok 18944
191: ok 18945
191: ok 18946
191: ok 18947
191: ok 18948
191: ok 18949
191: ok 18950
191: ok 18951
191: ok 18952
191: ok 18953
191: ok 18954
191: ok 18955
191: ok 18956
191: ok 18957
191: ok 18958
191: ok 18959
191: ok 18960
191: ok 18961
191: ok 18962
191: ok 18963
191: ok 18964
191: ok 18965
191: ok 18966
191: ok 18967
191: ok 18968
191: ok 18969
191: ok 18970
191: ok 18971
191: ok 18972
191: ok 18973
191: ok 18974
191: ok 18975
191: ok 18976
191: ok 18977
191: ok 18978
191: ok 18979
191: ok 18980
191: ok 18981
191: ok 18982
191: ok 18983
191: ok 18984
191: ok 18985
191: ok 18986
191: ok 18987
191: ok 18988
191: ok 18989
191: ok 18990
191: ok 18991
191: ok 18992
191: ok 18993
191: ok 18994
191: ok 18995
191: ok 18996
191: ok 18997
191: ok 18998
191: ok 18999
191: ok 19000
191: ok 19001
191: ok 19002
191: ok 19003
191: ok 19004
191: ok 19005
191: ok 19006
191: ok 19007
191: ok 19008
191: ok 19009
191: ok 19010
191: ok 19011
191: ok 19012
191: ok 19013
191: ok 19014
191: ok 19015
191: ok 19016
191: ok 19017
191: ok 19018
191: ok 19019
191: ok 19020
191: ok 19021
191: ok 19022
191: ok 19023
191: ok 19024
191: ok 19025
191: ok 19026
191: ok 19027
191: ok 19028
191: ok 19029
191: ok 19030
191: ok 19031
191: ok 19032
191: ok 19033
191: ok 19034
191: ok 19035
191: ok 19036
191: ok 19037
191: ok 19038
191: ok 19039
191: ok 19040
191: ok 19041
191: ok 19042
191: ok 19043
191: ok 19044
191: ok 19045
191: ok 19046
191: ok 19047
191: ok 19048
191: ok 19049
191: ok 19050
191: ok 19051
191: ok 19052
191: ok 19053
191: ok 19054
191: ok 19055
191: ok 19056
191: ok 19057
191: ok 19058
191: ok 19059
191: ok 19060
191: ok 19061
191: ok 19062
191: ok 19063
191: ok 19064
191: ok 19065
191: ok 19066
191: ok 19067
191: ok 19068
191: ok 19069
191: ok 19070
191: ok 19071
191: ok 19072
191: ok 19073
191: ok 19074
191: ok 19075
191: ok 19076
191: ok 19077
191: ok 19078
191: ok 19079
191: ok 19080
191: ok 19081
191: ok 19082
191: ok 19083
191: ok 19084
191: ok 19085
191: ok 19086
191: ok 19087
191: ok 19088
191: ok 19089
191: ok 19090
191: ok 19091
191: ok 19092
191: ok 19093
191: ok 19094
191: ok 19095
191: ok 19096
191: ok 19097
191: ok 19098
191: ok 19099
191: ok 19100
191: ok 19101
191: ok 19102
191: ok 19103
191: ok 19104
191: ok 19105
191: ok 19106
191: ok 19107
191: ok 19108
191: ok 19109
191: ok 19110
191: ok 19111
191: ok 19112
191: ok 19113
191: ok 19114
191: ok 19115
191: ok 19116
191: ok 19117
191: ok 19118
191: ok 19119
191: ok 19120
191: ok 19121
191: ok 19122
191: ok 19123
191: ok 19124
191: ok 19125
191: ok 19126
191: ok 19127
191: ok 19128
191: ok 19129
191: ok 19130
191: ok 19131
191: ok 19132
191: ok 19133
191: ok 19134
191: ok 19135
191: ok 19136
191: ok 19137
191: ok 19138
191: ok 19139
191: ok 19140
191: ok 19141
191: ok 19142
191: ok 19143
191: ok 19144
191: ok 19145
191: ok 19146
191: ok 19147
191: ok 19148
191: ok 19149
191: ok 19150
191: ok 19151
191: ok 19152
191: ok 19153
191: ok 19154
191: ok 19155
191: ok 19156
191: ok 19157
191: ok 19158
191: ok 19159
191: ok 19160
191: ok 19161
191: ok 19162
191: ok 19163
191: ok 19164
191: ok 19165
191: ok 19166
191: ok 19167
191: ok 19168
191: ok 19169
191: ok 19170
191: ok 19171
191: ok 19172
191: ok 19173
191: ok 19174
191: ok 19175
191: ok 19176
191: ok 19177
191: ok 19178
191: ok 19179
191: ok 19180
191: ok 19181
191: ok 19182
191: ok 19183
191: ok 19184
191: ok 19185
191: ok 19186
191: ok 19187
191: ok 19188
191: ok 19189
191: ok 19190
191: ok 19191
191: ok 19192
191: ok 19193
191: ok 19194
191: ok 19195
191: ok 19196
191: ok 19197
191: ok 19198
191: ok 19199
191: ok 19200
191: ok 19201
191: ok 19202
191: ok 19203
191: ok 19204
191: ok 19205
191: ok 19206
191: ok 19207
191: ok 19208
191: ok 19209
191: ok 19210
191: ok 19211
191: ok 19212
191: ok 19213
191: ok 19214
191: ok 19215
191: ok 19216
191: ok 19217
191: ok 19218
191: ok 19219
191: ok 19220
191: ok 19221
191: ok 19222
191: ok 19223
191: ok 19224
191: ok 19225
191: ok 19226
191: ok 19227
191: ok 19228
191: ok 19229
191: ok 19230
191: ok 19231
191: ok 19232
191: ok 19233
191: ok 19234
191: ok 19235
191: ok 19236
191: ok 19237
191: ok 19238
191: ok 19239
191: ok 19240
191: ok 19241
191: ok 19242
191: ok 19243
191: ok 19244
191: ok 19245
191: ok 19246
191: ok 19247
191: ok 19248
191: ok 19249
191: ok 19250
191: ok 19251
191: ok 19252
191: ok 19253
191: ok 19254
191: ok 19255
191: ok 19256
191: ok 19257
191: ok 19258
191: ok 19259
191: ok 19260
191: ok 19261
191: ok 19262
191: ok 19263
191: ok 19264
191: ok 19265
191: ok 19266
191: ok 19267
191: ok 19268
191: ok 19269
191: ok 19270
191: ok 19271
191: ok 19272
191: ok 19273
191: ok 19274
191: ok 19275
191: ok 19276
191: ok 19277
191: ok 19278
191: ok 19279
191: ok 19280
191: ok 19281
191: ok 19282
191: ok 19283
191: ok 19284
191: ok 19285
191: ok 19286
191: ok 19287
191: ok 19288
191: ok 19289
191: ok 19290
191: ok 19291
191: ok 19292
191: ok 19293
191: ok 19294
191: ok 19295
191: ok 19296
191: ok 19297
191: ok 19298
191: ok 19299
191: ok 19300
191: ok 19301
191: ok 19302
191: ok 19303
191: ok 19304
191: ok 19305
191: ok 19306
191: ok 19307
191: ok 19308
191: ok 19309
191: ok 19310
191: ok 19311
191: ok 19312
191: ok 19313
191: ok 19314
191: ok 19315
191: ok 19316
191: ok 19317
191: ok 19318
191: ok 19319
191: ok 19320
191: ok 19321
191: ok 19322
191: ok 19323
191: ok 19324
191: ok 19325
191: ok 19326
191: ok 19327
191: ok 19328
191: ok 19329
191: ok 19330
191: ok 19331
191: ok 19332
191: ok 19333
191: ok 19334
191: ok 19335
191: ok 19336
191: ok 19337
191: ok 19338
191: ok 19339
191: ok 19340
191: ok 19341
191: ok 19342
191: ok 19343
191: ok 19344
191: ok 19345
191: ok 19346
191: ok 19347
191: ok 19348
191: ok 19349
191: ok 19350
191: ok 19351
191: ok 19352
191: ok 19353
191: ok 19354
191: ok 19355
191: ok 19356
191: ok 19357
191: ok 19358
191: ok 19359
191: ok 19360
191: ok 19361
191: ok 19362
191: ok 19363
191: ok 19364
191: ok 19365
191: ok 19366
191: ok 19367
191: ok 19368
191: ok 19369
191: ok 19370
191: ok 19371
191: ok 19372
191: ok 19373
191: ok 19374
191: ok 19375
191: ok 19376
191: ok 19377
191: ok 19378
191: ok 19379
191: ok 19380
191: ok 19381
191: ok 19382
191: ok 19383
191: ok 19384
191: ok 19385
191: ok 19386
191: ok 19387
191: ok 19388
191: ok 19389
191: ok 19390
191: ok 19391
191: ok 19392
191: ok 19393
191: ok 19394
191: ok 19395
191: ok 19396
191: ok 19397
191: ok 19398
191: ok 19399
191: ok 19400
191: ok 19401
191: ok 19402
191: ok 19403
191: ok 19404
191: ok 19405
191: ok 19406
191: ok 19407
191: ok 19408
191: ok 19409
191: ok 19410
191: ok 19411
191: ok 19412
191: ok 19413
191: ok 19414
191: ok 19415
191: ok 19416
191: ok 19417
191: ok 19418
191: ok 19419
191: ok 19420
191: ok 19421
191: ok 19422
191: ok 19423
191: ok 19424
191: ok 19425
191: ok 19426
191: ok 19427
191: ok 19428
191: ok 19429
191: ok 19430
191: ok 19431
191: ok 19432
191: ok 19433
191: ok 19434
191: ok 19435
191: ok 19436
191: ok 19437
191: ok 19438
191: ok 19439
191: ok 19440
191: ok 19441
191: ok 19442
191: ok 19443
191: ok 19444
191: ok 19445
191: ok 19446
191: ok 19447
191: ok 19448
191: ok 19449
191: ok 19450
191: ok 19451
191: ok 19452
191: ok 19453
191: ok 19454
191: ok 19455
191: ok 19456
191: ok 19457
191: ok 19458
191: ok 19459
191: ok 19460
191: ok 19461
191: ok 19462
191: ok 19463
191: ok 19464
191: ok 19465
191: ok 19466
191: ok 19467
191: ok 19468
191: ok 19469
191: ok 19470
191: ok 19471
191: ok 19472
191: ok 19473
191: ok 19474
191: ok 19475
191: ok 19476
191: ok 19477
191: ok 19478
191: ok 19479
191: ok 19480
191: ok 19481
191: ok 19482
191: ok 19483
191: ok 19484
191: ok 19485
191: ok 19486
191: ok 19487
191: ok 19488
191: ok 19489
191: ok 19490
191: ok 19491
191: ok 19492
191: ok 19493
191: ok 19494
191: ok 19495
191: ok 19496
191: ok 19497
191: ok 19498
191: ok 19499
191: ok 19500
191: ok 19501
191: ok 19502
191: ok 19503
191: ok 19504
191: ok 19505
191: ok 19506
191: ok 19507
191: ok 19508
191: ok 19509
191: ok 19510
191: ok 19511
191: ok 19512
191: ok 19513
191: ok 19514
191: ok 19515
191: ok 19516
191: ok 19517
191: ok 19518
191: ok 19519
191: ok 19520
191: ok 19521
191: ok 19522
191: ok 19523
191: ok 19524
191: ok 19525
191: ok 19526
191: ok 19527
191: ok 19528
191: ok 19529
191: ok 19530
191: ok 19531
191: ok 19532
191: ok 19533
191: ok 19534
191: ok 19535
191: ok 19536
191: ok 19537
191: ok 19538
191: ok 19539
191: ok 19540
191: ok 19541
191: ok 19542
191: ok 19543
191: ok 19544
191: ok 19545
191: ok 19546
191: ok 19547
191: ok 19548
191: ok 19549
191: ok 19550
191: ok 19551
191: ok 19552
191: ok 19553
191: ok 19554
191: ok 19555
191: ok 19556
191: ok 19557
191: ok 19558
191: ok 19559
191: ok 19560
191: ok 19561
191: ok 19562
191: ok 19563
191: ok 19564
191: ok 19565
191: ok 19566
191: ok 19567
191: ok 19568
191: ok 19569
191: ok 19570
191: ok 19571
191: ok 19572
191: ok 19573
191: ok 19574
191: ok 19575
191: ok 19576
191: ok 19577
191: ok 19578
191: ok 19579
191: ok 19580
191: ok 19581
191: ok 19582
191: ok 19583
191: ok 19584
191: ok 19585
191: ok 19586
191: ok 19587
191: ok 19588
191: ok 19589
191: ok 19590
191: ok 19591
191: ok 19592
191: ok 19593
191: ok 19594
191: ok 19595
191: ok 19596
191: ok 19597
191: ok 19598
191: ok 19599
191: ok 19600
191: ok 19601
191: ok 19602
191: ok 19603
191: ok 19604
191: ok 19605
191: ok 19606
191: ok 19607
191: ok 19608
191: ok 19609
191: ok 19610
191: ok 19611
191: ok 19612
191: ok 19613
191: ok 19614
191: ok 19615
191: ok 19616
191: ok 19617
191: ok 19618
191: ok 19619
191: ok 19620
191: ok 19621
191: ok 19622
191: ok 19623
191: ok 19624
191: ok 19625
191: ok 19626
191: ok 19627
191: ok 19628
191: ok 19629
191: ok 19630
191: ok 19631
191: ok 19632
191: ok 19633
191: ok 19634
191: ok 19635
191: ok 19636
191: ok 19637
191: ok 19638
191: ok 19639
191: ok 19640
191: ok 19641
191: ok 19642
191: ok 19643
191: ok 19644
191: ok 19645
191: ok 19646
191: ok 19647
191: ok 19648
191: ok 19649
191: ok 19650
191: ok 19651
191: ok 19652
191: ok 19653
191: ok 19654
191: ok 19655
191: ok 19656
191: ok 19657
191: ok 19658
191: ok 19659
191: ok 19660
191: ok 19661
191: ok 19662
191: ok 19663
191: ok 19664
191: ok 19665
191: ok 19666
191: ok 19667
191: ok 19668
191: ok 19669
191: ok 19670
191: ok 19671
191: ok 19672
191: ok 19673
191: ok 19674
191: ok 19675
191: ok 19676
191: ok 19677
191: ok 19678
191: ok 19679
191: ok 19680
191: ok 19681
191: ok 19682
191: ok 19683
191: ok 19684
191: ok 19685
191: ok 19686
191: ok 19687
191: ok 19688
191: ok 19689
191: ok 19690
191: ok 19691
191: ok 19692
191: ok 19693
191: ok 19694
191: ok 19695
191: ok 19696
191: ok 19697
191: ok 19698
191: ok 19699
191: ok 19700
191: ok 19701
191: ok 19702
191: ok 19703
191: ok 19704
191: ok 19705
191: ok 19706
191: ok 19707
191: ok 19708
191: ok 19709
191: ok 19710
191: ok 19711
191: ok 19712
191: ok 19713
191: ok 19714
191: ok 19715
191: ok 19716
191: ok 19717
191: ok 19718
191: ok 19719
191: ok 19720
191: ok 19721
191: ok 19722
191: ok 19723
191: ok 19724
191: ok 19725
191: ok 19726
191: ok 19727
191: ok 19728
191: ok 19729
191: ok 19730
191: ok 19731
191: ok 19732
191: ok 19733
191: ok 19734
191: ok 19735
191: ok 19736
191: ok 19737
191: ok 19738
191: ok 19739
191: ok 19740
191: ok 19741
191: ok 19742
191: ok 19743
191: ok 19744
191: ok 19745
191: ok 19746
191: ok 19747
191: ok 19748
191: ok 19749
191: ok 19750
191: ok 19751
191: ok 19752
191: ok 19753
191: ok 19754
191: ok 19755
191: ok 19756
191: ok 19757
191: ok 19758
191: ok 19759
191: ok 19760
191: ok 19761
191: ok 19762
191: ok 19763
191: ok 19764
191: ok 19765
191: ok 19766
191: ok 19767
191: ok 19768
191: ok 19769
191: ok 19770
191: ok 19771
191: ok 19772
191: ok 19773
191: ok 19774
191: ok 19775
191: ok 19776
191: ok 19777
191: ok 19778
191: ok 19779
191: ok 19780
191: ok 19781
191: ok 19782
191: ok 19783
191: ok 19784
191: ok 19785
191: ok 19786
191: ok 19787
191: ok 19788
191: ok 19789
191: ok 19790
191: ok 19791
191: ok 19792
191: ok 19793
191: ok 19794
191: ok 19795
191: ok 19796
191: ok 19797
191: ok 19798
191: ok 19799
191: ok 19800
191: ok 19801
191: ok 19802
191: ok 19803
191: ok 19804
191: ok 19805
191: ok 19806
191: ok 19807
191: ok 19808
191: ok 19809
191: ok 19810
191: ok 19811
191: ok 19812
191: ok 19813
191: ok 19814
191: ok 19815
191: ok 19816
191: ok 19817
191: ok 19818
191: ok 19819
191: ok 19820
191: ok 19821
191: ok 19822
191: ok 19823
191: ok 19824
191: ok 19825
191: ok 19826
191: ok 19827
191: ok 19828
191: ok 19829
191: ok 19830
191: ok 19831
191: ok 19832
191: ok 19833
191: ok 19834
191: ok 19835
191: ok 19836
191: ok 19837
191: ok 19838
191: ok 19839
191: ok 19840
191: ok 19841
191: ok 19842
191: ok 19843
191: ok 19844
191: ok 19845
191: ok 19846
191: ok 19847
191: ok 19848
191: ok 19849
191: ok 19850
191: ok 19851
191: ok 19852
191: ok 19853
191: ok 19854
191: ok 19855
191: ok 19856
191: ok 19857
191: ok 19858
191: ok 19859
191: ok 19860
191: ok 19861
191: ok 19862
191: ok 19863
191: ok 19864
191: ok 19865
191: ok 19866
191: ok 19867
191: ok 19868
191: ok 19869
191: ok 19870
191: ok 19871
191: ok 19872
191: ok 19873
191: ok 19874
191: ok 19875
191: ok 19876
191: ok 19877
191: ok 19878
191: ok 19879
191: ok 19880
191: ok 19881
191: ok 19882
191: ok 19883
191: ok 19884
191: ok 19885
191: ok 19886
191: ok 19887
191: ok 19888
191: ok 19889
191: ok 19890
191: ok 19891
191: ok 19892
191: ok 19893
191: ok 19894
191: ok 19895
191: ok 19896
191: ok 19897
191: ok 19898
191: ok 19899
191: ok 19900
191: ok 19901
191: ok 19902
191: ok 19903
191: ok 19904
191: ok 19905
191: ok 19906
191: ok 19907
191: ok 19908
191: ok 19909
191: ok 19910
191: ok 19911
191: ok 19912
191: ok 19913
191: ok 19914
191: ok 19915
191: ok 19916
191: ok 19917
191: ok 19918
191: ok 19919
191: ok 19920
191: ok 19921
191: ok 19922
191: ok 19923
191: ok 19924
191: ok 19925
191: ok 19926
191: ok 19927
191: ok 19928
191: ok 19929
191: ok 19930
191: ok 19931
191: ok 19932
191: ok 19933
191: ok 19934
191: ok 19935
191: ok 19936
191: ok 19937
191: ok 19938
191: ok 19939
191: ok 19940
191: ok 19941
191: ok 19942
191: ok 19943
191: ok 19944
191: ok 19945
191: ok 19946
191: ok 19947
191: ok 19948
191: ok 19949
191: ok 19950
191: ok 19951
191: ok 19952
191: ok 19953
191: ok 19954
191: ok 19955
191: ok 19956
191: ok 19957
191: ok 19958
191: ok 19959
191: ok 19960
191: ok 19961
191: ok 19962
191: ok 19963
191: ok 19964
191: ok 19965
191: ok 19966
191: ok 19967
191: ok 19968
191: ok 19969
191: ok 19970
191: ok 19971
191: ok 19972
191: ok 19973
191: ok 19974
191: ok 19975
191: ok 19976
191: ok 19977
191: ok 19978
191: ok 19979
191: ok 19980
191: ok 19981
191: ok 19982
191: ok 19983
191: ok 19984
191: ok 19985
191: ok 19986
191: ok 19987
191: ok 19988
191: ok 19989
191: ok 19990
191: ok 19991
191: ok 19992
191: ok 19993
191: ok 19994
191: ok 19995
191: ok 19996
191: ok 19997
191: ok 19998
191: ok 19999
191: ok 20000
191: ok 20001
191: ok 20002
191: ok 20003
191: ok 20004
191: ok 20005
191: ok 20006
191: ok 20007
191: ok 20008
191: ok 20009
191: ok 20010
191: ok 20011
191: ok 20012
191: ok 20013
191: ok 20014
191: ok 20015
191: ok 20016
191: ok 20017
191: ok 20018
191: ok 20019
191: ok 20020
191: ok 20021
191: ok 20022
191: ok 20023
191: ok 20024
191: ok 20025
191: ok 20026
191: ok 20027
191: ok 20028
191: ok 20029
191: ok 20030
191: ok 20031
191: ok 20032
191: ok 20033
191: ok 20034
191: ok 20035
191: ok 20036
191: ok 20037
191: ok 20038
191: ok 20039
191: ok 20040
191: ok 20041
191: ok 20042
191: ok 20043
191: ok 20044
191: ok 20045
191: ok 20046
191: ok 20047
191: ok 20048
191: ok 20049
191: ok 20050
191: ok 20051
191: ok 20052
191: ok 20053
191: ok 20054
191: ok 20055
191: ok 20056
191: ok 20057
191: ok 20058
191: ok 20059
191: ok 20060
191: ok 20061
191: ok 20062
191: ok 20063
191: ok 20064
191: ok 20065
191: ok 20066
191: ok 20067
191: ok 20068
191: ok 20069
191: ok 20070
191: ok 20071
191: ok 20072
191: ok 20073
191: ok 20074
191: ok 20075
191: ok 20076
191: ok 20077
191: ok 20078
191: ok 20079
191: ok 20080
191: ok 20081
191: ok 20082
191: ok 20083
191: ok 20084
191: ok 20085
191: ok 20086
191: ok 20087
191: ok 20088
191: ok 20089
191: ok 20090
191: ok 20091
191: ok 20092
191: ok 20093
191: ok 20094
191: ok 20095
191: ok 20096
191: ok 20097
191: ok 20098
191: ok 20099
191: ok 20100
191: ok 20101
191: ok 20102
191: ok 20103
191: ok 20104
191: ok 20105
191: ok 20106
191: ok 20107
191: ok 20108
191: ok 20109
191: ok 20110
191: ok 20111
191: ok 20112
191: ok 20113
191: ok 20114
191: ok 20115
191: ok 20116
191: ok 20117
191: ok 20118
191: ok 20119
191: ok 20120
191: ok 20121
191: ok 20122
191: ok 20123
191: ok 20124
191: ok 20125
191: ok 20126
191: ok 20127
191: ok 20128
191: ok 20129
191: ok 20130
191: ok 20131
191: ok 20132
191: ok 20133
191: ok 20134
191: ok 20135
191: ok 20136
191: ok 20137
191: ok 20138
191: ok 20139
191: ok 20140
191: ok 20141
191: ok 20142
191: ok 20143
191: ok 20144
191: ok 20145
191: ok 20146
191: ok 20147
191: ok 20148
191: ok 20149
191: ok 20150
191: ok 20151
191: ok 20152
191: ok 20153
191: ok 20154
191: ok 20155
191: ok 20156
191: ok 20157
191: ok 20158
191: ok 20159
191: ok 20160
191: ok 20161
191: ok 20162
191: ok 20163
191: ok 20164
191: ok 20165
191: ok 20166
191: ok 20167
191: ok 20168
191: ok 20169
191: ok 20170
191: ok 20171
191: ok 20172
191: ok 20173
191: ok 20174
191: ok 20175
191: ok 20176
191: ok 20177
191: ok 20178
191: ok 20179
191: ok 20180
191: ok 20181
191: ok 20182
191: ok 20183
191: ok 20184
191: ok 20185
191: ok 20186
191: ok 20187
191: ok 20188
191: ok 20189
191: ok 20190
191: ok 20191
191: ok 20192
191: ok 20193
191: ok 20194
191: ok 20195
191: ok 20196
191: ok 20197
191: ok 20198
191: ok 20199
191: ok 20200
191: ok 20201
191: ok 20202
191: ok 20203
191: ok 20204
191: ok 20205
191: ok 20206
191: ok 20207
191: ok 20208
191: ok 20209
191: ok 20210
191: ok 20211
191: ok 20212
191: ok 20213
191: ok 20214
191: ok 20215
191: ok 20216
191: ok 20217
191: ok 20218
191: ok 20219
191: ok 20220
191: ok 20221
191: ok 20222
191: ok 20223
191: ok 20224
191: ok 20225
191: ok 20226
191: ok 20227
191: ok 20228
191: ok 20229
191: ok 20230
191: ok 20231
191: ok 20232
191: ok 20233
191: ok 20234
191: ok 20235
191: ok 20236
191: ok 20237
191: ok 20238
191: ok 20239
191: ok 20240
191: ok 20241
191: ok 20242
191: ok 20243
191: ok 20244
191: ok 20245
191: ok 20246
191: ok 20247
191: ok 20248
191: ok 20249
191: ok 20250
191: ok 20251
191: ok 20252
191: ok 20253
191: ok 20254
191: ok 20255
191: ok 20256
191: ok 20257
191: ok 20258
191: ok 20259
191: ok 20260
191: ok 20261
191: ok 20262
191: ok 20263
191: ok 20264
191: ok 20265
191: ok 20266
191: ok 20267
191: ok 20268
191: ok 20269
191: ok 20270
191: ok 20271
191: ok 20272
191: ok 20273
191: ok 20274
191: ok 20275
191: ok 20276
191: ok 20277
191: ok 20278
191: ok 20279
191: ok 20280
191: ok 20281
191: ok 20282
191: ok 20283
191: ok 20284
191: ok 20285
191: ok 20286
191: ok 20287
191: ok 20288
191: ok 20289
191: ok 20290
191: ok 20291
191: ok 20292
191: ok 20293
191: ok 20294
191: ok 20295
191: ok 20296
191: ok 20297
191: ok 20298
191: ok 20299
191: ok 20300
191: ok 20301
191: ok 20302
191: ok 20303
191: ok 20304
191: ok 20305
191: ok 20306
191: ok 20307
191: ok 20308
191: ok 20309
191: ok 20310
191: ok 20311
191: ok 20312
191: ok 20313
191: ok 20314
191: ok 20315
191: ok 20316
191: ok 20317
191: ok 20318
191: ok 20319
191: ok 20320
191: ok 20321
191: ok 20322
191: ok 20323
191: ok 20324
191: ok 20325
191: ok 20326
191: ok 20327
191: ok 20328
191: ok 20329
191: ok 20330
191: ok 20331
191: ok 20332
191: ok 20333
191: ok 20334
191: ok 20335
191: ok 20336
191: ok 20337
191: ok 20338
191: ok 20339
191: ok 20340
191: ok 20341
191: ok 20342
191: ok 20343
191: ok 20344
191: ok 20345
191: ok 20346
191: ok 20347
191: ok 20348
191: ok 20349
191: ok 20350
191: ok 20351
191: ok 20352
191: ok 20353
191: ok 20354
191: ok 20355
191: ok 20356
191: ok 20357
191: ok 20358
191: ok 20359
191: ok 20360
191: ok 20361
191: ok 20362
191: ok 20363
191: ok 20364
191: ok 20365
191: ok 20366
191: ok 20367
191: ok 20368
191: ok 20369
191: ok 20370
191: ok 20371
191: ok 20372
191: ok 20373
191: ok 20374
191: ok 20375
191: ok 20376
191: ok 20377
191: ok 20378
191: ok 20379
191: ok 20380
191: ok 20381
191: ok 20382
191: ok 20383
191: ok 20384
191: ok 20385
191: ok 20386
191: ok 20387
191: ok 20388
191: ok 20389
191: ok 20390
191: ok 20391
191: ok 20392
191: ok 20393
191: ok 20394
191: ok 20395
191: ok 20396
191: ok 20397
191: ok 20398
191: ok 20399
191: ok 20400
191: ok 20401
191: ok 20402
191: ok 20403
191: ok 20404
191: ok 20405
191: ok 20406
191: ok 20407
191: ok 20408
191: ok 20409
191: ok 20410
191: ok 20411
191: ok 20412
191: ok 20413
191: ok 20414
191: ok 20415
191: ok 20416
191: ok 20417
191: ok 20418
191: ok 20419
191: ok 20420
191: ok 20421
191: ok 20422
191: ok 20423
191: ok 20424
191: ok 20425
191: ok 20426
191: ok 20427
191: ok 20428
191: ok 20429
191: ok 20430
191: ok 20431
191: ok 20432
191: ok 20433
191: ok 20434
191: ok 20435
191: ok 20436
191: ok 20437
191: ok 20438
191: ok 20439
191: ok 20440
191: ok 20441
191: ok 20442
191: ok 20443
191: ok 20444
191: ok 20445
191: ok 20446
191: ok 20447
191: ok 20448
191: ok 20449
191: ok 20450
191: ok 20451
191: ok 20452
191: ok 20453
191: ok 20454
191: ok 20455
191: ok 20456
191: ok 20457
191: ok 20458
191: ok 20459
191: ok 20460
191: ok 20461
191: ok 20462
191: ok 20463
191: ok 20464
191: ok 20465
191: ok 20466
191: ok 20467
191: ok 20468
191: ok 20469
191: ok 20470
191: ok 20471
191: ok 20472
191: ok 20473
191: ok 20474
191: ok 20475
191: ok 20476
191: ok 20477
191: ok 20478
191: ok 20479
191: ok 20480
191: ok 20481
191: ok 20482
191: ok 20483
191: ok 20484
191: ok 20485
191: ok 20486
191: ok 20487
191: ok 20488
191: ok 20489
191: ok 20490
191: ok 20491
191: ok 20492
191: ok 20493
191: ok 20494
191: ok 20495
191: ok 20496
191: ok 20497
191: ok 20498
191: ok 20499
191: ok 20500
191: ok 20501
191: ok 20502
191: ok 20503
191: ok 20504
191: ok 20505
191: ok 20506
191: ok 20507
191: ok 20508
191: ok 20509
191: ok 20510
191: ok 20511
191: ok 20512
191: ok 20513
191: ok 20514
191: ok 20515
191: ok 20516
191: ok 20517
191: ok 20518
191: ok 20519
191: ok 20520
191: ok 20521
191: ok 20522
191: ok 20523
191: ok 20524
191: ok 20525
191: ok 20526
191: ok 20527
191: ok 20528
191: ok 20529
191: ok 20530
191: ok 20531
191: ok 20532
191: ok 20533
191: ok 20534
191: ok 20535
191: ok 20536
191: ok 20537
191: ok 20538
191: ok 20539
191: ok 20540
191: ok 20541
191: ok 20542
191: ok 20543
191: ok 20544
191: ok 20545
191: ok 20546
191: ok 20547
191: ok 20548
191: ok 20549
191: ok 20550
191: ok 20551
191: ok 20552
191: ok 20553
191: ok 20554
191: ok 20555
191: ok 20556
191: ok 20557
191: ok 20558
191: ok 20559
191: ok 20560
191: ok 20561
191: ok 20562
191: ok 20563
191: ok 20564
191: ok 20565
191: ok 20566
191: ok 20567
191: ok 20568
191: ok 20569
191: ok 20570
191: ok 20571
191: ok 20572
191: ok 20573
191: ok 20574
191: ok 20575
191: ok 20576
191: ok 20577
191: ok 20578
191: ok 20579
191: ok 20580
191: ok 20581
191: ok 20582
191: ok 20583
191: ok 20584
191: ok 20585
191: ok 20586
191: ok 20587
191: ok 20588
191: ok 20589
191: ok 20590
191: ok 20591
191: ok 20592
191: ok 20593
191: ok 20594
191: ok 20595
191: ok 20596
191: ok 20597
191: ok 20598
191: ok 20599
191: ok 20600
191: ok 20601
191: ok 20602
191: ok 20603
191: ok 20604
191: ok 20605
191: ok 20606
191: ok 20607
191: ok 20608
191: ok 20609
191: ok 20610
191: ok 20611
191: ok 20612
191: ok 20613
191: ok 20614
191: ok 20615
191: ok 20616
191: ok 20617
191: ok 20618
191: ok 20619
191: ok 20620
191: ok 20621
191: ok 20622
191: ok 20623
191: ok 20624
191: ok 20625
191: ok 20626
191: ok 20627
191: ok 20628
191: ok 20629
191: ok 20630
191: ok 20631
191: ok 20632
191: ok 20633
191: ok 20634
191: ok 20635
191: ok 20636
191: ok 20637
191: ok 20638
191: ok 20639
191: ok 20640
191: ok 20641
191: ok 20642
191: ok 20643
191: ok 20644
191: ok 20645
191: ok 20646
191: ok 20647
191: ok 20648
191: ok 20649
191: ok 20650
191: ok 20651
191: ok 20652
191: ok 20653
191: ok 20654
191: ok 20655
191: ok 20656
191: ok 20657
191: ok 20658
191: ok 20659
191: ok 20660
191: ok 20661
191: ok 20662
191: ok 20663
191: ok 20664
191: ok 20665
191: ok 20666
191: ok 20667
191: ok 20668
191: ok 20669
191: ok 20670
191: ok 20671
191: ok 20672
191: ok 20673
191: ok 20674
191: ok 20675
191: ok 20676
191: ok 20677
191: ok 20678
191: ok 20679
191: ok 20680
191: ok 20681
191: ok 20682
191: ok 20683
191: ok 20684
191: ok 20685
191: ok 20686
191: ok 20687
191: ok 20688
191: ok 20689
191: ok 20690
191: ok 20691
191: ok 20692
191: ok 20693
191: ok 20694
191: ok 20695
191: ok 20696
191: ok 20697
191: ok 20698
191: ok 20699
191: ok 20700
191: ok 20701
191: ok 20702
191: ok 20703
191: ok 20704
191: ok 20705
191: ok 20706
191: ok 20707
191: ok 20708
191: ok 20709
191: ok 20710
191: ok 20711
191: ok 20712
191: ok 20713
191: ok 20714
191: ok 20715
191: ok 20716
191: ok 20717
191: ok 20718
191: ok 20719
191: ok 20720
191: ok 20721
191: ok 20722
191: ok 20723
191: ok 20724
191: ok 20725
191: ok 20726
191: ok 20727
191: ok 20728
191: ok 20729
191: ok 20730
191: ok 20731
191: ok 20732
191: ok 20733
191: ok 20734
191: ok 20735
191: ok 20736
191: ok 20737
191: ok 20738
191: ok 20739
191: ok 20740
191: ok 20741
191: ok 20742
191: ok 20743
191: ok 20744
191: ok 20745
191: ok 20746
191: ok 20747
191: ok 20748
191: ok 20749
191: ok 20750
191: ok 20751
191: ok 20752
191: ok 20753
191: ok 20754
191: ok 20755
191: ok 20756
191: ok 20757
191: ok 20758
191: ok 20759
191: ok 20760
191: ok 20761
191: ok 20762
191: ok 20763
191: ok 20764
191: ok 20765
191: ok 20766
191: ok 20767
191: ok 20768
191: ok 20769
191: ok 20770
191: ok 20771
191: ok 20772
191: ok 20773
191: ok 20774
191: ok 20775
191: ok 20776
191: ok 20777
191: ok 20778
191: ok 20779
191: ok 20780
191: ok 20781
191: ok 20782
191: ok 20783
191: ok 20784
191: ok 20785
191: ok 20786
191: ok 20787
191: ok 20788
191: ok 20789
191: ok 20790
191: ok 20791
191: ok 20792
191: ok 20793
191: ok 20794
191: ok 20795
191: ok 20796
191: ok 20797
191: ok 20798
191: ok 20799
191: ok 20800
191: ok 20801
191: ok 20802
191: ok 20803
191: ok 20804
191: ok 20805
191: ok 20806
191: ok 20807
191: ok 20808
191: ok 20809
191: ok 20810
191: ok 20811
191: ok 20812
191: ok 20813
191: ok 20814
191: ok 20815
191: ok 20816
191: ok 20817
191: ok 20818
191: ok 20819
191: ok 20820
191: ok 20821
191: ok 20822
191: ok 20823
191: ok 20824
191: ok 20825
191: ok 20826
191: ok 20827
191: ok 20828
191: ok 20829
191: ok 20830
191: ok 20831
191: ok 20832
191: ok 20833
191: ok 20834
191: ok 20835
191: ok 20836
191: ok 20837
191: ok 20838
191: ok 20839
191: ok 20840
191: ok 20841
191: ok 20842
191: ok 20843
191: ok 20844
191: ok 20845
191: ok 20846
191: ok 20847
191: ok 20848
191: ok 20849
191: ok 20850
191: ok 20851
191: ok 20852
191: ok 20853
191: ok 20854
191: ok 20855
191: ok 20856
191: ok 20857
191: ok 20858
191: ok 20859
191: ok 20860
191: ok 20861
191: ok 20862
191: ok 20863
191: ok 20864
191: ok 20865
191: ok 20866
191: ok 20867
191: ok 20868
191: ok 20869
191: ok 20870
191: ok 20871
191: ok 20872
191: ok 20873
191: ok 20874
191: ok 20875
191: ok 20876
191: ok 20877
191: ok 20878
191: ok 20879
191: ok 20880
191: ok 20881
191: ok 20882
191: ok 20883
191: ok 20884
191: ok 20885
191: ok 20886
191: ok 20887
191: ok 20888
191: ok 20889
191: ok 20890
191: ok 20891
191: ok 20892
191: ok 20893
191: ok 20894
191: ok 20895
191: ok 20896
191: ok 20897
191: ok 20898
191: ok 20899
191: ok 20900
191: ok 20901
191: ok 20902
191: ok 20903
191: ok 20904
191: ok 20905
191: ok 20906
191: ok 20907
191: ok 20908
191: ok 20909
191: ok 20910
191: ok 20911
191: ok 20912
191: ok 20913
191: ok 20914
191: ok 20915
191: ok 20916
191: ok 20917
191: ok 20918
191: ok 20919
191: ok 20920
191: ok 20921
191: ok 20922
191: ok 20923
191: ok 20924
191: ok 20925
191: ok 20926
191: ok 20927
191: ok 20928
191: ok 20929
191: ok 20930
191: ok 20931
191: ok 20932
191: ok 20933
191: ok 20934
191: ok 20935
191: ok 20936
191: ok 20937
191: ok 20938
191: ok 20939
191: ok 20940
191: ok 20941
191: ok 20942
191: ok 20943
191: ok 20944
191: ok 20945
191: ok 20946
191: ok 20947
191: ok 20948
191: ok 20949
191: ok 20950
191: ok 20951
191: ok 20952
191: ok 20953
191: ok 20954
191: ok 20955
191: ok 20956
191: ok 20957
191: ok 20958
191: ok 20959
191: ok 20960
191: ok 20961
191: ok 20962
191: ok 20963
191: ok 20964
191: ok 20965
191: ok 20966
191: ok 20967
191: ok 20968
191: ok 20969
191: ok 20970
191: ok 20971
191: ok 20972
191: ok 20973
191: ok 20974
191: ok 20975
191: ok 20976
191: ok 20977
191: ok 20978
191: ok 20979
191: ok 20980
191: ok 20981
191: ok 20982
191: ok 20983
191: ok 20984
191: ok 20985
191: ok 20986
191: ok 20987
191: ok 20988
191: ok 20989
191: ok 20990
191: ok 20991
191: ok 20992
191: ok 20993
191: ok 20994
191: ok 20995
191: ok 20996
191: ok 20997
191: ok 20998
191: ok 20999
191: ok 21000
191: ok 21001
191: ok 21002
191: ok 21003
191: ok 21004
191: ok 21005
191: ok 21006
191: ok 21007
191: ok 21008
191: ok 21009
191: ok 21010
191: ok 21011
191: ok 21012
191: ok 21013
191: ok 21014
191: ok 21015
191: ok 21016
191: ok 21017
191: ok 21018
191: ok 21019
191: ok 21020
191: ok 21021
191: ok 21022
191: ok 21023
191: ok 21024
191: ok 21025
191: ok 21026
191: ok 21027
191: ok 21028
191: ok 21029
191: ok 21030
191: ok 21031
191: ok 21032
191: ok 21033
191: ok 21034
191: ok 21035
191: ok 21036
191: ok 21037
191: ok 21038
191: ok 21039
191: ok 21040
191: ok 21041
191: ok 21042
191: ok 21043
191: ok 21044
191: ok 21045
191: ok 21046
191: ok 21047
191: ok 21048
191: ok 21049
191: ok 21050
191: ok 21051
191: ok 21052
191: ok 21053
191: ok 21054
191: ok 21055
191: ok 21056
191: ok 21057
191: ok 21058
191: ok 21059
191: ok 21060
191: ok 21061
191: ok 21062
191: ok 21063
191: ok 21064
191: ok 21065
191: ok 21066
191: ok 21067
191: ok 21068
191: ok 21069
191: ok 21070
191: ok 21071
191: ok 21072
191: ok 21073
191: ok 21074
191: ok 21075
191: ok 21076
191: ok 21077
191: ok 21078
191: ok 21079
191: ok 21080
191: ok 21081
191: ok 21082
191: ok 21083
191: ok 21084
191: ok 21085
191: ok 21086
191: ok 21087
191: ok 21088
191: ok 21089
191: ok 21090
191: ok 21091
191: ok 21092
191: ok 21093
191: ok 21094
191: ok 21095
191: ok 21096
191: ok 21097
191: ok 21098
191: ok 21099
191: ok 21100
191: ok 21101
191: ok 21102
191: ok 21103
191: ok 21104
191: ok 21105
191: ok 21106
191: ok 21107
191: ok 21108
191: ok 21109
191: ok 21110
191: ok 21111
191: ok 21112
191: ok 21113
191: ok 21114
191: ok 21115
191: ok 21116
191: ok 21117
191: ok 21118
191: ok 21119
191: ok 21120
191: ok 21121
191: ok 21122
191: ok 21123
191: ok 21124
191: ok 21125
191: ok 21126
191: ok 21127
191: ok 21128
191: ok 21129
191: ok 21130
191: ok 21131
191: ok 21132
191: ok 21133
191: ok 21134
191: ok 21135
191: ok 21136
191: ok 21137
191: ok 21138
191: ok 21139
191: ok 21140
191: ok 21141
191: ok 21142
191: ok 21143
191: ok 21144
191: ok 21145
191: ok 21146
191: ok 21147
191: ok 21148
191: ok 21149
191: ok 21150
191: ok 21151
191: ok 21152
191: ok 21153
191: ok 21154
191: ok 21155
191: ok 21156
191: ok 21157
191: ok 21158
191: ok 21159
191: ok 21160
191: ok 21161
191: ok 21162
191: ok 21163
191: ok 21164
191: ok 21165
191: ok 21166
191: ok 21167
191: ok 21168
191: ok 21169
191: ok 21170
191: ok 21171
191: ok 21172
191: ok 21173
191: ok 21174
191: ok 21175
191: ok 21176
191: ok 21177
191: ok 21178
191: ok 21179
191: ok 21180
191: ok 21181
191: ok 21182
191: ok 21183
191: ok 21184
191: ok 21185
191: ok 21186
191: ok 21187
191: ok 21188
191: ok 21189
191: ok 21190
191: ok 21191
191: ok 21192
191: ok 21193
191: ok 21194
191: ok 21195
191: ok 21196
191: ok 21197
191: ok 21198
191: ok 21199
191: ok 21200
191: ok 21201
191: ok 21202
191: ok 21203
191: ok 21204
191: ok 21205
191: ok 21206
191: ok 21207
191: ok 21208
191: ok 21209
191: ok 21210
191: ok 21211
191: ok 21212
191: ok 21213
191: ok 21214
191: ok 21215
191: ok 21216
191: ok 21217
191: ok 21218
191: ok 21219
191: ok 21220
191: ok 21221
191: ok 21222
191: ok 21223
191: ok 21224
191: ok 21225
191: ok 21226
191: ok 21227
191: ok 21228
191: ok 21229
191: ok 21230
191: ok 21231
191: ok 21232
191: ok 21233
191: ok 21234
191: ok 21235
191: ok 21236
191: ok 21237
191: ok 21238
191: ok 21239
191: ok 21240
191: ok 21241
191: ok 21242
191: ok 21243
191: ok 21244
191: ok 21245
191: ok 21246
191: ok 21247
191: ok 21248
191: ok 21249
191: ok 21250
191: ok 21251
191: ok 21252
191: ok 21253
191: ok 21254
191: ok 21255
191: ok 21256
191: ok 21257
191: ok 21258
191: ok 21259
191: ok 21260
191: ok 21261
191: ok 21262
191: ok 21263
191: ok 21264
191: ok 21265
191: ok 21266
191: ok 21267
191: ok 21268
191: ok 21269
191: ok 21270
191: ok 21271
191: ok 21272
191: ok 21273
191: ok 21274
191: ok 21275
191: ok 21276
191: ok 21277
191: ok 21278
191: ok 21279
191: ok 21280
191: ok 21281
191: ok 21282
191: ok 21283
191: ok 21284
191: ok 21285
191: ok 21286
191: ok 21287
191: ok 21288
191: ok 21289
191: ok 21290
191: ok 21291
191: ok 21292
191: ok 21293
191: ok 21294
191: ok 21295
191: ok 21296
191: ok 21297
191: ok 21298
191: ok 21299
191: ok 21300
191: ok 21301
191: ok 21302
191: ok 21303
191: ok 21304
191: ok 21305
191: ok 21306
191: ok 21307
191: ok 21308
191: ok 21309
191: ok 21310
191: ok 21311
191: ok 21312
191: ok 21313
191: ok 21314
191: ok 21315
191: ok 21316
191: ok 21317
191: ok 21318
191: ok 21319
191: ok 21320
191: ok 21321
191: ok 21322
191: ok 21323
191: ok 21324
191: ok 21325
191: ok 21326
191: ok 21327
191: ok 21328
191: ok 21329
191: ok 21330
191: ok 21331
191: ok 21332
191: ok 21333
191: ok 21334
191: ok 21335
191: ok 21336
191: ok 21337
191: ok 21338
191: ok 21339
191: ok 21340
191: ok 21341
191: ok 21342
191: ok 21343
191: ok 21344
191: ok 21345
191: ok 21346
191: ok 21347
191: ok 21348
191: ok 21349
191: ok 21350
191: ok 21351
191: ok 21352
191: ok 21353
191: ok 21354
191: ok 21355
191: ok 21356
191: ok 21357
191: ok 21358
191: ok 21359
191: ok 21360
191: ok 21361
191: ok 21362
191: ok 21363
191: ok 21364
191: ok 21365
191: ok 21366
191: ok 21367
191: ok 21368
191: ok 21369
191: ok 21370
191: ok 21371
191: ok 21372
191: ok 21373
191: ok 21374
191: ok 21375
191: ok 21376
191: ok 21377
191: ok 21378
191: ok 21379
191: ok 21380
191: ok 21381
191: ok 21382
191: ok 21383
191: ok 21384
191: ok 21385
191: ok 21386
191: ok 21387
191: ok 21388
191: ok 21389
191: ok 21390
191: ok 21391
191: ok 21392
191: ok 21393
191: ok 21394
191: ok 21395
191: ok 21396
191: ok 21397
191: ok 21398
191: ok 21399
191: ok 21400
191: ok 21401
191: ok 21402
191: ok 21403
191: ok 21404
191: ok 21405
191: ok 21406
191: ok 21407
191: ok 21408
191: ok 21409
191: ok 21410
191: ok 21411
191: ok 21412
191: ok 21413
191: ok 21414
191: ok 21415
191: ok 21416
191: ok 21417
191: ok 21418
191: ok 21419
191: ok 21420
191: ok 21421
191: ok 21422
191: ok 21423
191: ok 21424
191: ok 21425
191: ok 21426
191: ok 21427
191: ok 21428
191: ok 21429
191: ok 21430
191: ok 21431
191: ok 21432
191: ok 21433
191: ok 21434
191: ok 21435
191: ok 21436
191: ok 21437
191: ok 21438
191: ok 21439
191: ok 21440
191: ok 21441
191: ok 21442
191: ok 21443
191: ok 21444
191: ok 21445
191: ok 21446
191: ok 21447
191: ok 21448
191: ok 21449
191: ok 21450
191: ok 21451
191: ok 21452
191: ok 21453
191: ok 21454
191: ok 21455
191: ok 21456
191: ok 21457
191: ok 21458
191: ok 21459
191: ok 21460
191: ok 21461
191: ok 21462
191: ok 21463
191: ok 21464
191: ok 21465
191: ok 21466
191: ok 21467
191: ok 21468
191: ok 21469
191: ok 21470
191: ok 21471
191: ok 21472
191: ok 21473
191: ok 21474
191: ok 21475
191: ok 21476
191: ok 21477
191: ok 21478
191: ok 21479
191: ok 21480
191: ok 21481
191: ok 21482
191: ok 21483
191: ok 21484
191: ok 21485
191: ok 21486
191: ok 21487
191: ok 21488
191: ok 21489
191: ok 21490
191: ok 21491
191: ok 21492
191: ok 21493
191: ok 21494
191: ok 21495
191: ok 21496
191: ok 21497
191: ok 21498
191: ok 21499
191: ok 21500
191: ok 21501
191: ok 21502
191: ok 21503
191: ok 21504
191: ok 21505
191: ok 21506
191: ok 21507
191: ok 21508
191: ok 21509
191: ok 21510
191: ok 21511
191: ok 21512
191: ok 21513
191: ok 21514
191: ok 21515
191: ok 21516
191: ok 21517
191: ok 21518
191: ok 21519
191: ok 21520
191: ok 21521
191: ok 21522
191: ok 21523
191: ok 21524
191: ok 21525
191: ok 21526
191: ok 21527
191: ok 21528
191: ok 21529
191: ok 21530
191: ok 21531
191: ok 21532
191: ok 21533
191: ok 21534
191: ok 21535
191: ok 21536
191: ok 21537
191: ok 21538
191: ok 21539
191: ok 21540
191: ok 21541
191: ok 21542
191: ok 21543
191: ok 21544
191: ok 21545
191: ok 21546
191: ok 21547
191: ok 21548
191: ok 21549
191: ok 21550
191: ok 21551
191: ok 21552
191: ok 21553
191: ok 21554
191: ok 21555
191: ok 21556
191: ok 21557
191: ok 21558
191: ok 21559
191: ok 21560
191: ok 21561
191: ok 21562
191: ok 21563
191: ok 21564
191: ok 21565
191: ok 21566
191: ok 21567
191: ok 21568
191: ok 21569
191: ok 21570
191: ok 21571
191: ok 21572
191: ok 21573
191: ok 21574
191: ok 21575
191: ok 21576
191: ok 21577
191: ok 21578
191: ok 21579
191: ok 21580
191: ok 21581
191: ok 21582
191: ok 21583
191: ok 21584
191: ok 21585
191: ok 21586
191: ok 21587
191: ok 21588
191: ok 21589
191: ok 21590
191: ok 21591
191: ok 21592
191: ok 21593
191: ok 21594
191: ok 21595
191: ok 21596
191: ok 21597
191: ok 21598
191: ok 21599
191: ok 21600
191: ok 21601
191: ok 21602
191: ok 21603
191: ok 21604
191: ok 21605
191: ok 21606
191: ok 21607
191: ok 21608
191: ok 21609
191: ok 21610
191: ok 21611
191: ok 21612
191: ok 21613
191: ok 21614
191: ok 21615
191: ok 21616
191: ok 21617
191: ok 21618
191: ok 21619
191: ok 21620
191: ok 21621
191: ok 21622
191: ok 21623
191: ok 21624
191: ok 21625
191: ok 21626
191: ok 21627
191: ok 21628
191: ok 21629
191: ok 21630
191: ok 21631
191: ok 21632
191: ok 21633
191: ok 21634
191: ok 21635
191: ok 21636
191: ok 21637
191: ok 21638
191: ok 21639
191: ok 21640
191: ok 21641
191: ok 21642
191: ok 21643
191: ok 21644
191: ok 21645
191: ok 21646
191: ok 21647
191: ok 21648
191: ok 21649
191: ok 21650
191: ok 21651
191: ok 21652
191: ok 21653
191: ok 21654
191: ok 21655
191: ok 21656
191: ok 21657
191: ok 21658
191: ok 21659
191: ok 21660
191: ok 21661
191: ok 21662
191: ok 21663
191: ok 21664
191: ok 21665
191: ok 21666
191: ok 21667
191: ok 21668
191: ok 21669
191: ok 21670
191: ok 21671
191: ok 21672
191: ok 21673
191: ok 21674
191: ok 21675
191: ok 21676
191: ok 21677
191: ok 21678
191: ok 21679
191: ok 21680
191: ok 21681
191: ok 21682
191: ok 21683
191: ok 21684
191: ok 21685
191: ok 21686
191: ok 21687
191: ok 21688
191: ok 21689
191: ok 21690
191: ok 21691
191: ok 21692
191: ok 21693
191: ok 21694
191: ok 21695
191: ok 21696
191: ok 21697
191: ok 21698
191: ok 21699
191: ok 21700
191: ok 21701
191: ok 21702
191: ok 21703
191: ok 21704
191: ok 21705
191: ok 21706
191: ok 21707
191: ok 21708
191: ok 21709
191: ok 21710
191: ok 21711
191: ok 21712
191: ok 21713
191: ok 21714
191: ok 21715
191: ok 21716
191: ok 21717
191: ok 21718
191: ok 21719
191: ok 21720
191: ok 21721
191: ok 21722
191: ok 21723
191: ok 21724
191: ok 21725
191: ok 21726
191: ok 21727
191: ok 21728
191: ok 21729
191: ok 21730
191: ok 21731
191: ok 21732
191: ok 21733
191: ok 21734
191: ok 21735
191: ok 21736
191: ok 21737
191: ok 21738
191: ok 21739
191: ok 21740
191: ok 21741
191: ok 21742
191: ok 21743
191: ok 21744
191: ok 21745
191: ok 21746
191: ok 21747
191: ok 21748
191: ok 21749
191: ok 21750
191: ok 21751
191: ok 21752
191: ok 21753
191: ok 21754
191: ok 21755
191: ok 21756
191: ok 21757
191: ok 21758
191: ok 21759
191: ok 21760
191: ok 21761
191: ok 21762
191: ok 21763
191: ok 21764
191: ok 21765
191: ok 21766
191: ok 21767
191: ok 21768
191: ok 21769
191: ok 21770
191: ok 21771
191: ok 21772
191: ok 21773
191: ok 21774
191: ok 21775
191: ok 21776
191: ok 21777
191: ok 21778
191: ok 21779
191: ok 21780
191: ok 21781
191: ok 21782
191: ok 21783
191: ok 21784
191: ok 21785
191: ok 21786
191: ok 21787
191: ok 21788
191: ok 21789
191: ok 21790
191: ok 21791
191: ok 21792
191: ok 21793
191: ok 21794
191: ok 21795
191: ok 21796
191: ok 21797
191: ok 21798
191: ok 21799
191: ok 21800
191: ok 21801
191: ok 21802
191: ok 21803
191: ok 21804
191: ok 21805
191: ok 21806
191: ok 21807
191: ok 21808
191: ok 21809
191: ok 21810
191: ok 21811
191: ok 21812
191: ok 21813
191: ok 21814
191: ok 21815
191: ok 21816
191: ok 21817
191: ok 21818
191: ok 21819
191: ok 21820
191: ok 21821
191: ok 21822
191: ok 21823
191: ok 21824
191: ok 21825
191: ok 21826
191: ok 21827
191: ok 21828
191: ok 21829
191: ok 21830
191: ok 21831
191: ok 21832
191: ok 21833
191: ok 21834
191: ok 21835
191: ok 21836
191: ok 21837
191: ok 21838
191: ok 21839
191: ok 21840
191: ok 21841
191: ok 21842
191: ok 21843
191: ok 21844
191: ok 21845
191: ok 21846
191: ok 21847
191: ok 21848
191: ok 21849
191: ok 21850
191: ok 21851
191: ok 21852
191: ok 21853
191: ok 21854
191: ok 21855
191: ok 21856
191: ok 21857
191: ok 21858
191: ok 21859
191: ok 21860
191: ok 21861
191: ok 21862
191: ok 21863
191: ok 21864
191: ok 21865
191: ok 21866
191: ok 21867
191: ok 21868
191: ok 21869
191: ok 21870
191: ok 21871
191: ok 21872
191: ok 21873
191: ok 21874
191: ok 21875
191: ok 21876
191: ok 21877
191: ok 21878
191: ok 21879
191: ok 21880
191: ok 21881
191: ok 21882
191: ok 21883
191: ok 21884
191: ok 21885
191: ok 21886
191: ok 21887
191: ok 21888
191: ok 21889
191: ok 21890
191: ok 21891
191: ok 21892
191: ok 21893
191: ok 21894
191: ok 21895
191: ok 21896
191: ok 21897
191: ok 21898
191: ok 21899
191: ok 21900
191: ok 21901
191: ok 21902
191: ok 21903
191: ok 21904
191: ok 21905
191: ok 21906
191: ok 21907
191: ok 21908
191: ok 21909
191: ok 21910
191: ok 21911
191: ok 21912
191: ok 21913
191: ok 21914
191: ok 21915
191: ok 21916
191: ok 21917
191: ok 21918
191: ok 21919
191: ok 21920
191: ok 21921
191: ok 21922
191: ok 21923
191: ok 21924
191: ok 21925
191: ok 21926
191: ok 21927
191: ok 21928
191: ok 21929
191: ok 21930
191: ok 21931
191: ok 21932
191: ok 21933
191: ok 21934
191: ok 21935
191: ok 21936
191: ok 21937
191: ok 21938
191: ok 21939
191: ok 21940
191: ok 21941
191: ok 21942
191: ok 21943
191: ok 21944
191: ok 21945
191: ok 21946
191: ok 21947
191: ok 21948
191: ok 21949
191: ok 21950
191: ok 21951
191: ok 21952
191: ok 21953
191: ok 21954
191: ok 21955
191: ok 21956
191: ok 21957
191: ok 21958
191: ok 21959
191: ok 21960
191: ok 21961
191: ok 21962
191: ok 21963
191: ok 21964
191: ok 21965
191: ok 21966
191: ok 21967
191: ok 21968
191: ok 21969
191: ok 21970
191: ok 21971
191: ok 21972
191: ok 21973
191: ok 21974
191: ok 21975
191: ok 21976
191: ok 21977
191: ok 21978
191: ok 21979
191: ok 21980
191: ok 21981
191: ok 21982
191: ok 21983
191: ok 21984
191: ok 21985
191: ok 21986
191: ok 21987
191: ok 21988
191: ok 21989
191: ok 21990
191: ok 21991
191: ok 21992
191: ok 21993
191: ok 21994
191: ok 21995
191: ok 21996
191: ok 21997
191: ok 21998
191: ok 21999
191: ok 22000
191: ok 22001
191: ok 22002
191: ok 22003
191: ok 22004
191: ok 22005
191: ok 22006
191: ok 22007
191: ok 22008
191: ok 22009
191: ok 22010
191: ok 22011
191: ok 22012
191: ok 22013
191: ok 22014
191: ok 22015
191: ok 22016
191: ok 22017
191: ok 22018
191: ok 22019
191: ok 22020
191: ok 22021
191: ok 22022
191: ok 22023
191: ok 22024
191: ok 22025
191: ok 22026
191: ok 22027
191: ok 22028
191: ok 22029
191: ok 22030
191: ok 22031
191: ok 22032
191: ok 22033
191: ok 22034
191: ok 22035
191: ok 22036
191: ok 22037
191: ok 22038
191: ok 22039
191: ok 22040
191: ok 22041
191: ok 22042
191: ok 22043
191: ok 22044
191: ok 22045
191: ok 22046
191: ok 22047
191: ok 22048
191: ok 22049
191: ok 22050
191: ok 22051
191: ok 22052
191: ok 22053
191: ok 22054
191: ok 22055
191: ok 22056
191: ok 22057
191: ok 22058
191: ok 22059
191: ok 22060
191: ok 22061
191: ok 22062
191: ok 22063
191: ok 22064
191: ok 22065
191: ok 22066
191: ok 22067
191: ok 22068
191: ok 22069
191: ok 22070
191: ok 22071
191: ok 22072
191: ok 22073
191: ok 22074
191: ok 22075
191: ok 22076
191: ok 22077
191: ok 22078
191: ok 22079
191: ok 22080
191: ok 22081
191: ok 22082
191: ok 22083
191: ok 22084
191: ok 22085
191: ok 22086
191: ok 22087
191: ok 22088
191: ok 22089
191: ok 22090
191: ok 22091
191: ok 22092
191: ok 22093
191: ok 22094
191: ok 22095
191: ok 22096
191: ok 22097
191: ok 22098
191: ok 22099
191: ok 22100
191: ok 22101
191: ok 22102
191: ok 22103
191: ok 22104
191: ok 22105
191: ok 22106
191: ok 22107
191: ok 22108
191: ok 22109
191: ok 22110
191: ok 22111
191: ok 22112
191: ok 22113
191: ok 22114
191: ok 22115
191: ok 22116
191: ok 22117
191: ok 22118
191: ok 22119
191: ok 22120
191: ok 22121
191: ok 22122
191: ok 22123
191: ok 22124
191: ok 22125
191: ok 22126
191: ok 22127
191: ok 22128
191: ok 22129
191: ok 22130
191: ok 22131
191: ok 22132
191: ok 22133
191: ok 22134
191: ok 22135
191: ok 22136
191: ok 22137
191: ok 22138
191: ok 22139
191: ok 22140
191: ok 22141
191: ok 22142
191: ok 22143
191: ok 22144
191: ok 22145
191: ok 22146
191: ok 22147
191: ok 22148
191: ok 22149
191: ok 22150
191: ok 22151
191: ok 22152
191: ok 22153
191: ok 22154
191: ok 22155
191: ok 22156
191: ok 22157
191: ok 22158
191: ok 22159
191: ok 22160
191: ok 22161
191: ok 22162
191: ok 22163
191: ok 22164
191: ok 22165
191: ok 22166
191: ok 22167
191: ok 22168
191: ok 22169
191: ok 22170
191: ok 22171
191: ok 22172
191: ok 22173
191: ok 22174
191: ok 22175
191: ok 22176
191: ok 22177
191: ok 22178
191: ok 22179
191: ok 22180
191: ok 22181
191: ok 22182
191: ok 22183
191: ok 22184
191: ok 22185
191: ok 22186
191: ok 22187
191: ok 22188
191: ok 22189
191: ok 22190
191: ok 22191
191: ok 22192
191: ok 22193
191: ok 22194
191: ok 22195
191: ok 22196
191: ok 22197
191: ok 22198
191: ok 22199
191: ok 22200
191: ok 22201
191: ok 22202
191: ok 22203
191: ok 22204
191: ok 22205
191: ok 22206
191: ok 22207
191: ok 22208
191: ok 22209
191: ok 22210
191: ok 22211
191: ok 22212
191: ok 22213
191: ok 22214
191: ok 22215
191: ok 22216
191: ok 22217
191: ok 22218
191: ok 22219
191: ok 22220
191: ok 22221
191: ok 22222
191: ok 22223
191: ok 22224
191: ok 22225
191: ok 22226
191: ok 22227
191: ok 22228
191: ok 22229
191: ok 22230
191: ok 22231
191: ok 22232
191: ok 22233
191: ok 22234
191: ok 22235
191: ok 22236
191: ok 22237
191: ok 22238
191: ok 22239
191: ok 22240
191: ok 22241
191: ok 22242
191: ok 22243
191: ok 22244
191: ok 22245
191: ok 22246
191: ok 22247
191: ok 22248
191: ok 22249
191: ok 22250
191: ok 22251
191: ok 22252
191: ok 22253
191: ok 22254
191: ok 22255
191: ok 22256
191: ok 22257
191: ok 22258
191: ok 22259
191: ok 22260
191: ok 22261
191: ok 22262
191: ok 22263
191: ok 22264
191: ok 22265
191: ok 22266
191: ok 22267
191: ok 22268
191: ok 22269
191: ok 22270
191: ok 22271
191: ok 22272
191: ok 22273
191: ok 22274
191: ok 22275
191: ok 22276
191: ok 22277
191: ok 22278
191: ok 22279
191: ok 22280
191: ok 22281
191: ok 22282
191: ok 22283
191: ok 22284
191: ok 22285
191: ok 22286
191: ok 22287
191: ok 22288
191: ok 22289
191: ok 22290
191: ok 22291
191: ok 22292
191: ok 22293
191: ok 22294
191: ok 22295
191: ok 22296
191: ok 22297
191: ok 22298
191: ok 22299
191: ok 22300
191: ok 22301
191: ok 22302
191: ok 22303
191: ok 22304
191: ok 22305
191: ok 22306
191: ok 22307
191: ok 22308
191: ok 22309
191: ok 22310
191: ok 22311
191: ok 22312
191: ok 22313
191: ok 22314
191: ok 22315
191: ok 22316
191: ok 22317
191: ok 22318
191: ok 22319
191: ok 22320
191: ok 22321
191: ok 22322
191: ok 22323
191: ok 22324
191: ok 22325
191: ok 22326
191: ok 22327
191: ok 22328
191: ok 22329
191: ok 22330
191: ok 22331
191: ok 22332
191: ok 22333
191: ok 22334
191: ok 22335
191: ok 22336
191: ok 22337
191: ok 22338
191: ok 22339
191: ok 22340
191: ok 22341
191: ok 22342
191: ok 22343
191: ok 22344
191: ok 22345
191: ok 22346
191: ok 22347
191: ok 22348
191: ok 22349
191: ok 22350
191: ok 22351
191: ok 22352
191: ok 22353
191: ok 22354
191: ok 22355
191: ok 22356
191: ok 22357
191: ok 22358
191: ok 22359
191: ok 22360
191: ok 22361
191: ok 22362
191: ok 22363
191: ok 22364
191: ok 22365
191: ok 22366
191: ok 22367
191: ok 22368
191: ok 22369
191: ok 22370
191: ok 22371
191: ok 22372
191: ok 22373
191: ok 22374
191: ok 22375
191: ok 22376
191: ok 22377
191: ok 22378
191: ok 22379
191: ok 22380
191: ok 22381
191: ok 22382
191: ok 22383
191: ok 22384
191: ok 22385
191: ok 22386
191: ok 22387
191: ok 22388
191: ok 22389
191: ok 22390
191: ok 22391
191: ok 22392
191: ok 22393
191: ok 22394
191: ok 22395
191: ok 22396
191: ok 22397
191: ok 22398
191: ok 22399
191: ok 22400
191: ok 22401
191: ok 22402
191: ok 22403
191: ok 22404
191: ok 22405
191: ok 22406
191: ok 22407
191: ok 22408
191: ok 22409
191: ok 22410
191: ok 22411
191: ok 22412
191: ok 22413
191: ok 22414
191: ok 22415
191: ok 22416
191: ok 22417
191: ok 22418
191: ok 22419
191: ok 22420
191: ok 22421
191: ok 22422
191: ok 22423
191: ok 22424
191: ok 22425
191: ok 22426
191: ok 22427
191: ok 22428
191: ok 22429
191: ok 22430
191: ok 22431
191: ok 22432
191: ok 22433
191: ok 22434
191: ok 22435
191: ok 22436
191: ok 22437
191: ok 22438
191: ok 22439
191: ok 22440
191: ok 22441
191: ok 22442
191: ok 22443
191: ok 22444
191: ok 22445
191: ok 22446
191: ok 22447
191: ok 22448
191: ok 22449
191: ok 22450
191: ok 22451
191: ok 22452
191: ok 22453
191: ok 22454
191: ok 22455
191: ok 22456
191: ok 22457
191: ok 22458
191: ok 22459
191: ok 22460
191: ok 22461
191: ok 22462
191: ok 22463
191: ok 22464
191: ok 22465
191: ok 22466
191: ok 22467
191: ok 22468
191: ok 22469
191: ok 22470
191: ok 22471
191: ok 22472
191: ok 22473
191: ok 22474
191: ok 22475
191: ok 22476
191: ok 22477
191: ok 22478
191: ok 22479
191: ok 22480
191: ok 22481
191: ok 22482
191: ok 22483
191: ok 22484
191: ok 22485
191: ok 22486
191: ok 22487
191: ok 22488
191: ok 22489
191: ok 22490
191: ok 22491
191: ok 22492
191: ok 22493
191: ok 22494
191: ok 22495
191: ok 22496
191: ok 22497
191: ok 22498
191: ok 22499
191: ok 22500
191: ok 22501
191: ok 22502
191: ok 22503
191: ok 22504
191: ok 22505
191: ok 22506
191: ok 22507
191: ok 22508
191: ok 22509
191: ok 22510
191: ok 22511
191: ok 22512
191: ok 22513
191: ok 22514
191: ok 22515
191: ok 22516
191: ok 22517
191: ok 22518
191: ok 22519
191: ok 22520
191: ok 22521
191: ok 22522
191: ok 22523
191: ok 22524
191: ok 22525
191: ok 22526
191: ok 22527
191: ok 22528
191: ok 22529
191: ok 22530
191: ok 22531
191: ok 22532
191: ok 22533
191: ok 22534
191: ok 22535
191: ok 22536
191: ok 22537
191: ok 22538
191: ok 22539
191: ok 22540
191: ok 22541
191: ok 22542
191: ok 22543
191: ok 22544
191: ok 22545
191: ok 22546
191: ok 22547
191: ok 22548
191: ok 22549
191: ok 22550
191: ok 22551
191: ok 22552
191: ok 22553
191: ok 22554
191: ok 22555
191: ok 22556
191: ok 22557
191: ok 22558
191: ok 22559
191: ok 22560
191: ok 22561
191: ok 22562
191: ok 22563
191: ok 22564
191: ok 22565
191: ok 22566
191: ok 22567
191: ok 22568
191: ok 22569
191: ok 22570
191: ok 22571
191: ok 22572
191: ok 22573
191: ok 22574
191: ok 22575
191: ok 22576
191: ok 22577
191: ok 22578
191: ok 22579
191: ok 22580
191: ok 22581
191: ok 22582
191: ok 22583
191: ok 22584
191: ok 22585
191: ok 22586
191: ok 22587
191: ok 22588
191: ok 22589
191: ok 22590
191: ok 22591
191: ok 22592
191: ok 22593
191: ok 22594
191: ok 22595
191: ok 22596
191: ok 22597
191: ok 22598
191: ok 22599
191: ok 22600
191: ok 22601
191: ok 22602
191: ok 22603
191: ok 22604
191: ok 22605
191: ok 22606
191: ok 22607
191: ok 22608
191: ok 22609
191: ok 22610
191: ok 22611
191: ok 22612
191: ok 22613
191: ok 22614
191: ok 22615
191: ok 22616
191: ok 22617
191: ok 22618
191: ok 22619
191: ok 22620
191: ok 22621
191: ok 22622
191: ok 22623
191: ok 22624
191: ok 22625
191: ok 22626
191: ok 22627
191: ok 22628
191: ok 22629
191: ok 22630
191: ok 22631
191: ok 22632
191: ok 22633
191: ok 22634
191: ok 22635
191: ok 22636
191: ok 22637
191: ok 22638
191: ok 22639
191: ok 22640
191: ok 22641
191: ok 22642
191: ok 22643
191: ok 22644
191: ok 22645
191: ok 22646
191: ok 22647
191: ok 22648
191: ok 22649
191: ok 22650
191: ok 22651
191: ok 22652
191: ok 22653
191: ok 22654
191: ok 22655
191: ok 22656
191: ok 22657
191: ok 22658
191: ok 22659
191: ok 22660
191: ok 22661
191: ok 22662
191: ok 22663
191: ok 22664
191: ok 22665
191: ok 22666
191: ok 22667
191: ok 22668
191: ok 22669
191: ok 22670
191: ok 22671
191: ok 22672
191: ok 22673
191: ok 22674
191: ok 22675
191: ok 22676
191: ok 22677
191: ok 22678
191: ok 22679
191: ok 22680
191: ok 22681
191: ok 22682
191: ok 22683
191: ok 22684
191: ok 22685
191: ok 22686
191: ok 22687
191: ok 22688
191: ok 22689
191: ok 22690
191: ok 22691
191: ok 22692
191: ok 22693
191: ok 22694
191: ok 22695
191: ok 22696
191: ok 22697
191: ok 22698
191: ok 22699
191: ok 22700
191: ok 22701
191: ok 22702
191: ok 22703
191: ok 22704
191: ok 22705
191: ok 22706
191: ok 22707
191: ok 22708
191: ok 22709
191: ok 22710
191: ok 22711
191: ok 22712
191: ok 22713
191: ok 22714
191: ok 22715
191: ok 22716
191: ok 22717
191: ok 22718
191: ok 22719
191: ok 22720
191: ok 22721
191: ok 22722
191: ok 22723
191: ok 22724
191: ok 22725
191: ok 22726
191: ok 22727
191: ok 22728
191: ok 22729
191: ok 22730
191: ok 22731
191: ok 22732
191: ok 22733
191: ok 22734
191: ok 22735
191: ok 22736
191: ok 22737
191: ok 22738
191: ok 22739
191: ok 22740
191: ok 22741
191: ok 22742
191: ok 22743
191: ok 22744
191: ok 22745
191: ok 22746
191: ok 22747
191: ok 22748
191: ok 22749
191: ok 22750
191: ok 22751
191: ok 22752
191: ok 22753
191: ok 22754
191: ok 22755
191: ok 22756
191: ok 22757
191: ok 22758
191: ok 22759
191: ok 22760
191: ok 22761
191: ok 22762
191: ok 22763
191: ok 22764
191: ok 22765
191: ok 22766
191: ok 22767
191: ok 22768
191: ok 22769
191: ok 22770
191: ok 22771
191: ok 22772
191: ok 22773
191: ok 22774
191: ok 22775
191: ok 22776
191: ok 22777
191: ok 22778
191: ok 22779
191: ok 22780
191: ok 22781
191: ok 22782
191: ok 22783
191: ok 22784
191: ok 22785
191: ok 22786
191: ok 22787
191: ok 22788
191: ok 22789
191: ok 22790
191: ok 22791
191: ok 22792
191: ok 22793
191: ok 22794
191: ok 22795
191: ok 22796
191: ok 22797
191: ok 22798
191: ok 22799
191: ok 22800
191: ok 22801
191: ok 22802
191: ok 22803
191: ok 22804
191: ok 22805
191: ok 22806
191: ok 22807
191: ok 22808
191: ok 22809
191: ok 22810
191: ok 22811
191: ok 22812
191: ok 22813
191: ok 22814
191: ok 22815
191: ok 22816
191: ok 22817
191: ok 22818
191: ok 22819
191: ok 22820
191: ok 22821
191: ok 22822
191: ok 22823
191: ok 22824
191: ok 22825
191: ok 22826
191: ok 22827
191: ok 22828
191: ok 22829
191: ok 22830
191: ok 22831
191: ok 22832
191: ok 22833
191: ok 22834
191: ok 22835
191: ok 22836
191: ok 22837
191: ok 22838
191: ok 22839
191: ok 22840
191: ok 22841
191: ok 22842
191: ok 22843
191: ok 22844
191: ok 22845
191: ok 22846
191: ok 22847
191: ok 22848
191: ok 22849
191: ok 22850
191: ok 22851
191: ok 22852
191: ok 22853
191: ok 22854
191: ok 22855
191: ok 22856
191: ok 22857
191: ok 22858
191: ok 22859
191: ok 22860
191: ok 22861
191: ok 22862
191: ok 22863
191: ok 22864
191: ok 22865
191: ok 22866
191: ok 22867
191: ok 22868
191: ok 22869
191: ok 22870
191: ok 22871
191: ok 22872
191: ok 22873
191: ok 22874
191: ok 22875
191: ok 22876
191: ok 22877
191: ok 22878
191: ok 22879
191: ok 22880
191: ok 22881
191: ok 22882
191: ok 22883
191: ok 22884
191: ok 22885
191: ok 22886
191: ok 22887
191: ok 22888
191: ok 22889
191: ok 22890
191: ok 22891
191: ok 22892
191: ok 22893
191: ok 22894
191: ok 22895
191: ok 22896
191: ok 22897
191: ok 22898
191: ok 22899
191: ok 22900
191: ok 22901
191: ok 22902
191: ok 22903
191: ok 22904
191: ok 22905
191: ok 22906
191: ok 22907
191: ok 22908
191: ok 22909
191: ok 22910
191: ok 22911
191: ok 22912
191: ok 22913
191: ok 22914
191: ok 22915
191: ok 22916
191: ok 22917
191: ok 22918
191: ok 22919
191: ok 22920
191: ok 22921
191: ok 22922
191: ok 22923
191: ok 22924
191: ok 22925
191: ok 22926
191: ok 22927
191: ok 22928
191: ok 22929
191: ok 22930
191: ok 22931
191: ok 22932
191: ok 22933
191: ok 22934
191: ok 22935
191: ok 22936
191: ok 22937
191: ok 22938
191: ok 22939
191: ok 22940
191: ok 22941
191: ok 22942
191: ok 22943
191: ok 22944
191: ok 22945
191: ok 22946
191: ok 22947
191: ok 22948
191: ok 22949
191: ok 22950
191: ok 22951
191: ok 22952
191: ok 22953
191: ok 22954
191: ok 22955
191: ok 22956
191: ok 22957
191: ok 22958
191: ok 22959
191: ok 22960
191: ok 22961
191: ok 22962
191: ok 22963
191: ok 22964
191: ok 22965
191: ok 22966
191: ok 22967
191: ok 22968
191: ok 22969
191: ok 22970
191: ok 22971
191: ok 22972
191: ok 22973
191: ok 22974
191: ok 22975
191: ok 22976
191: ok 22977
191: ok 22978
191: ok 22979
191: ok 22980
191: ok 22981
191: ok 22982
191: ok 22983
191: ok 22984
191: ok 22985
191: ok 22986
191: ok 22987
191: ok 22988
191: ok 22989
191: ok 22990
191: ok 22991
191: ok 22992
191: ok 22993
191: ok 22994
191: ok 22995
191: ok 22996
191: ok 22997
191: ok 22998
191: ok 22999
191: ok 23000
191: # math: passed testDistancesAnglesOrthogonality
191: 1..23000
191: # math: all tests are successful
test 193
        Start 193: test_math_4
193: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "4"
193: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
193: Environment variables: 
193:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
193:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
193: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4py4_xl2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4pya_2x3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4pyl_tcw.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1a_2xz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1b_2y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1c_2xm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1d_2y1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1e_2y7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1e_2y8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1f_2xn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1n_2y9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1p_2xt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q1r_2xu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q27_2xv.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q2x_ggb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4c_i8p.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q9z_pzw.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qag_f95.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qbk_3nz.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qbz_d80.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uva_d73.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvb_d51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvc_d52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvd_hrw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uve_ki5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvg_a0c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvh_uud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvi_kxu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvn_cdj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvo_5ww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvr_j5y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvu_u1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvv_w8l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvw_nyj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvx_h2w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvy_sgw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw1_92r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw3_50g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw4_4s0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw6_vv7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwb_jvt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwc_4y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwf_eut.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwg_rbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwh_jxm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwi_xmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwj_7l5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwk_ujb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwl_7a5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ux4_e9l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ux6_ywo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uxl_5p8.sdf
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192: # math: repeating each test 1000 times
192: # Testing MMFF94 Force Field...
192: # math: entering testInversion
192: ok 1
192: ok 2
192: ok 3
192: ok 4
192: ok 5
192: ok 6
192: ok 7
192: ok 8
192: ok 9
192: ok 10
192: ok 11
192: ok 12
192: ok 13
192: ok 14
192: ok 15
192: ok 16
192: ok 17
192: ok 18
192: ok 19
192: ok 20
192: ok 21
192: ok 22
192: ok 23
192: ok 24
192: ok 25
192: ok 26
192: ok 27
192: ok 28
192: ok 29
192: ok 30
192: ok 31
192: ok 32
192: ok 33
192: ok 34
192: ok 35
192: ok 36
192: ok 37
192: ok 38
192: ok 39
192: ok 40
192: ok 41
192: ok 42
192: ok 43
192: ok 44
192: ok 45
192: ok 46
192: ok 47
192: ok 48
192: ok 49
192: ok 50
192: ok 51
192: ok 52
192: ok 53
192: ok 54
192: ok 55
192: ok 56
192: ok 57
192: ok 58
192: ok 59
192: ok 60
192: ok 61
192: ok 62
192: ok 63
192: ok 64
192: ok 65
192: ok 66
192: ok 67
192: ok 68
192: ok 69
192: ok 70
192: ok 71
192: ok 72
192: ok 73
192: ok 74
192: ok 75
192: ok 76
192: ok 77
192: ok 78
192: ok 79
192: ok 80
192: ok 81
192: ok 82
192: ok 83
192: ok 84
192: ok 85
192: ok 86
192: ok 87
192: ok 88
192: ok 89
192: ok 90
192: ok 91
192: ok 92
192: ok 93
192: ok 94
192: ok 95
192: ok 96
192: ok 97
192: ok 98
192: ok 99
192: ok 100
192: ok 101
192: ok 102
192: ok 103
192: ok 104
192: ok 105
192: ok 106
192: ok 107
192: ok 108
192: ok 109
192: ok 110
192: ok 111
192: ok 112
192: ok 113
192: ok 114
192: ok 115
192: ok 116
192: ok 117
192: ok 118
192: ok 119
192: ok 120
192: ok 121
192: ok 122
192: ok 123
192: ok 124
192: ok 125
192: ok 126
192: ok 127
192: ok 128
192: ok 129
192: ok 130
192: ok 131
192: ok 132
192: ok 133
192: ok 134
192: ok 135
192: ok 136
192: ok 137
192: ok 138
192: ok 139
192: ok 140
192: ok 141
192: ok 142
192: ok 143
192: ok 144
192: ok 145
192: ok 146
192: ok 147
192: ok 148
192: ok 149
192: ok 150
192: ok 151
192: ok 152
192: ok 153
192: ok 154
192: ok 155
192: ok 156
192: ok 157
192: ok 158
192: ok 159
192: ok 160
192: ok 161
192: ok 162
192: ok 163
192: ok 164
192: ok 165
192: ok 166
192: ok 167
192: ok 168
192: ok 169
192: ok 170
192: ok 171
192: ok 172
192: ok 173
192: ok 174
192: ok 175
192: ok 176
192: ok 177
192: ok 178
192: ok 179
192: ok 180
192: ok 181
192: ok 182
192: ok 183
192: ok 184
192: ok 185
192: ok 186
192: ok 187
192: ok 188
192: ok 189
192: ok 190
192: ok 191
192: ok 192
192: ok 193
192: ok 194
192: ok 195
192: ok 196
192: ok 197
192: ok 198
192: ok 199
192: ok 200
192: ok 201
192: ok 202
192: ok 203
192: ok 204
192: ok 205
192: ok 206
192: ok 207
192: ok 208
192: ok 209
192: ok 210
192: ok 211
192: ok 212
192: ok 213
192: ok 214
192: ok 215
192: ok 216
192: ok 217
192: ok 218
192: ok 219
192: ok 220
192: ok 221
192: ok 222
192: ok 223
192: ok 224
192: ok 225
192: ok 226
192: ok 227
192: ok 228
192: ok 229
192: ok 230
192: ok 231
192: ok 232
192: ok 233
192: ok 234
192: ok 235
192: ok 236
192: ok 237
192: ok 238
192: ok 239
192: ok 240
192: ok 241
192: ok 242
192: ok 243
192: ok 244
192: ok 245
192: ok 246
192: ok 247
192: ok 248
192: ok 249
192: ok 250
192: ok 251
192: ok 252
192: ok 253
192: ok 254
192: ok 255
192: ok 256
192: ok 257
192: ok 258
192: ok 259
192: ok 260
192: ok 261
192: ok 262
192: ok 263
192: ok 264
192: ok 265
192: ok 266
192: ok 267
192: ok 268
192: ok 269
192: ok 270
192: ok 271
192: ok 272
192: ok 273
192: ok 274
192: ok 275
192: ok 276
192: ok 277
192: ok 278
192: ok 279
192: ok 280
192: ok 281
192: ok 282
192: ok 283
192: ok 284
192: ok 285
192: ok 286
192: ok 287
192: ok 288
192: ok 289
192: ok 290
192: ok 291
192: ok 292
192: ok 293
192: ok 294
192: ok 295
192: ok 296
192: ok 297
192: ok 298
192: ok 299
192: ok 300
192: ok 301
192: ok 302
192: ok 303
192: ok 304
192: ok 305
192: ok 306
192: ok 307
192: ok 308
192: ok 309
192: ok 310
192: ok 311
192: ok 312
192: ok 313
192: ok 314
192: ok 315
192: ok 316
192: ok 317
192: ok 318
192: ok 319
192: ok 320
192: ok 321
192: ok 322
192: ok 323
192: ok 324
192: ok 325
192: ok 326
192: ok 327
192: ok 328
192: ok 329
192: ok 330
192: ok 331
192: ok 332
192: ok 333
192: ok 334
192: ok 335
192: ok 336
192: ok 337
192: ok 338
192: ok 339
192: ok 340
192: ok 341
192: ok 342
192: ok 343
192: ok 344
192: ok 345
192: ok 346
192: ok 347
192: ok 348
192: ok 349
192: ok 350
192: ok 351
192: ok 352
192: ok 353
192: ok 354
192: ok 355
192: ok 356
192: ok 357
192: ok 358
192: ok 359
192: ok 360
192: ok 361
192: ok 362
192: ok 363
192: ok 364
192: ok 365
192: ok 366
192: ok 367
192: ok 368
192: ok 369
192: ok 370
192: ok 371
192: ok 372
192: ok 373
192: ok 374
192: ok 375
192: ok 376
192: ok 377
192: ok 378
192: ok 379
192: ok 380
192: ok 381
192: ok 382
192: ok 383
192: ok 384
192: ok 385
192: ok 386
192: ok 387
192: ok 388
192: ok 389
192: ok 390
192: ok 391
192: ok 392
192: ok 393
192: ok 394
192: ok 395
192: ok 396
192: ok 397
192: ok 398
192: ok 399
192: ok 400
192: ok 401
192: ok 402
192: ok 403
192: ok 404
192: ok 405
192: ok 406
192: ok 407
192: ok 408
192: ok 409
192: ok 410
192: ok 411
192: ok 412
192: ok 413
192: ok 414
192: ok 415
192: ok 416
192: ok 417
192: ok 418
192: ok 419
192: ok 420
192: ok 421
192: ok 422
192: ok 423
192: ok 424
192: ok 425
192: ok 426
192: ok 427
192: ok 428
192: ok 429
192: ok 430
192: ok 431
192: ok 432
192: ok 433
192: ok 434
192: ok 435
192: ok 436
192: ok 437
192: ok 438
192: ok 439
192: ok 440
192: ok 441
192: ok 442
192: ok 443
192: ok 444
192: ok 445
192: ok 446
192: ok 447
192: ok 448
192: ok 449
192: ok 450
192: ok 451
192: ok 452
192: ok 453
192: ok 454
192: ok 455
192: ok 456
192: ok 457
192: ok 458
192: ok 459
192: ok 460
192: ok 461
192: ok 462
192: ok 463
192: ok 464
192: ok 465
192: ok 466
192: ok 467
192: ok 468
192: ok 469
192: ok 470
192: ok 471
192: ok 472
192: ok 473
192: ok 474
192: ok 475
192: ok 476
192: ok 477
192: ok 478
192: ok 479
192: ok 480
192: ok 481
192: ok 482
192: ok 483
192: ok 484
192: ok 485
192: ok 486
192: ok 487
192: ok 488
192: ok 489
192: ok 490
192: ok 491
192: ok 492
192: ok 493
192: ok 494
192: ok 495
192: ok 496
192: ok 497
192: ok 498
192: ok 499
192: ok 500
192: ok 501
192: ok 502
192: ok 503
192: ok 504
192: ok 505
192: ok 506
192: ok 507
192: ok 508
192: ok 509
192: ok 510
192: ok 511
192: ok 512
192: ok 513
192: ok 514
192: ok 515
192: ok 516
192: ok 517
192: ok 518
192: ok 519
192: ok 520
192: ok 521
192: ok 522
192: ok 523
192: ok 524
192: ok 525
192: ok 526
192: ok 527
192: ok 528
192: ok 529
192: ok 530
192: ok 531
192: ok 532
192: ok 533
192: ok 534
192: ok 535
192: ok 536
192: ok 537
192: ok 538
192: ok 539
192: ok 540
192: ok 541
192: ok 542
192: ok 543
192: ok 544
192: ok 545
192: ok 546
192: ok 547
192: ok 548
192: ok 549
192: ok 550
192: ok 551
192: ok 552
192: ok 553
192: ok 554
192: ok 555
192: ok 556
192: ok 557
192: ok 558
192: ok 559
192: ok 560
192: ok 561
192: ok 562
192: ok 563
192: ok 564
192: ok 565
192: ok 566
192: ok 567
192: ok 568
192: ok 569
192: ok 570
192: ok 571
192: ok 572
192: ok 573
192: ok 574
192: ok 575
192: ok 576
192: ok 577
192: ok 578
192: ok 579
192: ok 580
192: ok 581
192: ok 582
192: ok 583
192: ok 584
192: ok 585
192: ok 586
192: ok 587
192: ok 588
192: ok 589
192: ok 590
192: ok 591
192: ok 592
192: ok 593
192: ok 594
192: ok 595
192: ok 596
192: ok 597
192: ok 598
192: ok 599
192: ok 600
192: ok 601
192: ok 602
192: ok 603
192: ok 604
192: ok 605
192: ok 606
192: ok 607
192: ok 608
192: ok 609
192: ok 610
192: ok 611
192: ok 612
192: ok 613
192: ok 614
192: ok 615
192: ok 616
192: ok 617
192: ok 618
192: ok 619
192: ok 620
192: ok 621
192: ok 622
192: ok 623
192: ok 624
192: ok 625
192: ok 626
192: ok 627
192: ok 628
192: ok 629
192: ok 630
192: ok 631
192: ok 632
192: ok 633
192: ok 634
192: ok 635
192: ok 636
192: ok 637
192: ok 638
192: ok 639
192: ok 640
192: ok 641
192: ok 642
192: ok 643
192: ok 644
192: ok 645
192: ok 646
192: ok 647
192: ok 648
192: ok 649
192: ok 650
192: ok 651
192: ok 652
192: ok 653
192: ok 654
192: ok 655
192: ok 656
192: ok 657
192: ok 658
192: ok 659
192: ok 660
192: ok 661
192: ok 662
192: ok 663
192: ok 664
192: ok 665
192: ok 666
192: ok 667
192: ok 668
192: ok 669
192: ok 670
192: ok 671
192: ok 672
192: ok 673
192: ok 674
192: ok 675
192: ok 676
192: ok 677
192: ok 678
192: ok 679
192: ok 680
192: ok 681
192: ok 682
192: ok 683
192: ok 684
192: ok 685
192: ok 686
192: ok 687
192: ok 688
192: ok 689
192: ok 690
192: ok 691
192: ok 692
192: ok 693
192: ok 694
192: ok 695
192: ok 696
192: ok 697
192: ok 698
192: ok 699
192: ok 700
192: ok 701
192: ok 702
192: ok 703
192: ok 704
192: ok 705
192: ok 706
192: ok 707
192: ok 708
192: ok 709
192: ok 710
192: ok 711
192: ok 712
192: ok 713
192: ok 714
192: ok 715
192: ok 716
192: ok 717
192: ok 718
192: ok 719
192: ok 720
192: ok 721
192: ok 722
192: ok 723
192: ok 724
192: ok 725
192: ok 726
192: ok 727
192: ok 728
192: ok 729
192: ok 730
192: ok 731
192: ok 732
192: ok 733
192: ok 734
192: ok 735
192: ok 736
192: ok 737
192: ok 738
192: ok 739
192: ok 740
192: ok 741
192: ok 742
192: ok 743
192: ok 744
192: ok 745
192: ok 746
192: ok 747
192: ok 748
192: ok 749
192: ok 750
192: ok 751
192: ok 752
192: ok 753
192: ok 754
192: ok 755
192: ok 756
192: ok 757
192: ok 758
192: ok 759
192: ok 760
192: ok 761
192: ok 762
192: ok 763
192: ok 764
192: ok 765
192: ok 766
192: ok 767
192: ok 768
192: ok 769
192: ok 770
192: ok 771
192: ok 772
192: ok 773
192: ok 774
192: ok 775
192: ok 776
192: ok 777
192: ok 778
192: ok 779
192: ok 780
192: ok 781
192: ok 782
192: ok 783
192: ok 784
192: ok 785
192: ok 786
192: ok 787
192: ok 788
192: ok 789
192: ok 790
192: ok 791
192: ok 792
192: ok 793
192: ok 794
192: ok 795
192: ok 796
192: ok 797
192: ok 798
192: ok 799
192: ok 800
192: ok 801
192: ok 802
192: ok 803
192: ok 804
192: ok 805
192: ok 806
192: ok 807
192: ok 808
192: ok 809
192: ok 810
192: ok 811
192: ok 812
192: ok 813
192: ok 814
192: ok 815
192: ok 816
192: ok 817
192: ok 818
192: ok 819
192: ok 820
192: ok 821
192: ok 822
192: ok 823
192: ok 824
192: ok 825
192: ok 826
192: ok 827
192: ok 828
192: ok 829
192: ok 830
192: ok 831
192: ok 832
192: ok 833
192: ok 834
192: ok 835
192: ok 836
192: ok 837
192: ok 838
192: ok 839
192: ok 840
192: ok 841
192: ok 842
192: ok 843
192: ok 844
192: ok 845
192: ok 846
192: ok 847
192: ok 848
192: ok 849
192: ok 850
192: ok 851
192: ok 852
192: ok 853
192: ok 854
192: ok 855
192: ok 856
192: ok 857
192: ok 858
192: ok 859
192: ok 860
192: ok 861
192: ok 862
192: ok 863
192: ok 864
192: ok 865
192: ok 866
192: ok 867
192: ok 868
192: ok 869
192: ok 870
192: ok 871
192: ok 872
192: ok 873
192: ok 874
192: ok 875
192: ok 876
192: ok 877
192: ok 878
192: ok 879
192: ok 880
192: ok 881
192: ok 882
192: ok 883
192: ok 884
192: ok 885
192: ok 886
192: ok 887
192: ok 888
192: ok 889
192: ok 890
192: ok 891
192: ok 892
192: ok 893
192: ok 894
192: ok 895
192: ok 896
192: ok 897
192: ok 898
192: ok 899
192: ok 900
192: ok 901
192: ok 902
192: ok 903
192: ok 904
192: ok 905
192: ok 906
192: ok 907
192: ok 908
192: ok 909
192: ok 910
192: ok 911
192: ok 912
192: ok 913
192: ok 914
192: ok 915
192: ok 916
192: ok 917
192: ok 918
192: ok 919
192: ok 920
192: ok 921
192: ok 922
192: ok 923
192: ok 924
192: ok 925
192: ok 926
192: ok 927
192: ok 928
192: ok 929
192: ok 930
192: ok 931
192: ok 932
192: ok 933
192: ok 934
192: ok 935
192: ok 936
192: ok 937
192: ok 938
192: ok 939
192: ok 940
192: ok 941
192: ok 942
192: ok 943
192: ok 944
192: ok 945
192: ok 946
192: ok 947
192: ok 948
192: ok 949
192: ok 950
192: ok 951
192: ok 952
192: ok 953
192: ok 954
192: ok 955
192: ok 956
192: ok 957
192: ok 958
192: ok 959
192: ok 960
192: ok 961
192: ok 962
192: ok 963
192: ok 964
192: ok 965
192: ok 966
192: ok 967
192: ok 968
192: ok 969
192: ok 970
192: ok 971
192: ok 972
192: ok 973
192: ok 974
192: ok 975
192: ok 976
192: ok 977
192: ok 978
192: ok 979
192: ok 980
192: ok 981
192: ok 982
192: ok 983
192: ok 984
192: ok 985
192: ok 986
192: ok 987
192: ok 988
192: ok 989
192: ok 990
192: ok 991
192: ok 992
192: ok 993
192: ok 994
192: ok 995
192: ok 996
192: ok 997
192: ok 998
192: ok 999
192: ok 1000
192: # math: passed testInversion
192: 1..1000
192: # math: all tests are successful
190/223 Test #191: test_math_2 ......................   Passed    3.89 sec
191/223 Test #192: test_math_3 ......................   Passed    0.81 sec
test 194
        Start 194: test_mol_1
194: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "mol" "1"
194: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
194: Environment variables: 
194:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
194:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
194: Test timeout computed to be: 1500
test 195
        Start 195: test_pdbreadfile_1
195: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "1"
195: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
195: Environment variables: 
195:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
195:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
195: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uy1_tjm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uye_9f9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uyg_73b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uyh_9s3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uyn_y3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uzd_qmn.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v24_gyr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v3v_s8f.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v3y_hlw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4vgc_srd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w1o_3gj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4v_3h8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4w_3hj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4x_3hn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4y_3hq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5b_3h5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5c_3h6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5c_3h7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5s_3j1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w63_htb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w6e_3j5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w7p_3j7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w8d_3ja.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w8e_3jb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w93_3l9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9o_3jq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9p_3jr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9q_3jp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9s_3k1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9x_3jw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9y_3k0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wa9_axi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wag_3k7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wbo_anw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wcu_3kq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wdt_wdt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wdu_wdu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wdw_wdw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wdx_wdx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4we1_3lq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wet_wef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wev_suz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wey_eg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wf4_wf4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wf6_407.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wh5_3qb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wh7_8h8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wh9_3m8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4whq_3n9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4whr_3nj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4whs_3n8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4whu_3ot.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4whz_3nl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wi1_3o6.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xjj_41d.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xjo_plp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xjw_opx.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xkc_md9.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 15 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 28 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xkx_43k.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xw2_sim.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xwk_4c8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xwy_43o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xx3_70x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xx4_70y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xx5_43r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xx9_rf4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xy2_490.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xy8_43u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xyf_44x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xyx_43z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xz4_456.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xzh_48i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xzk_ag2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xzl_f49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y0p_te4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y0q_px9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y13_480.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y14_c0a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y15_482.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y29_cti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y2a_1fs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y2b_epk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y2j_49g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y2p_3c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y2q_49n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y2r_49o.sdf
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193: # math: repeating each test 1000 times
193: # Testing MMFF94 Force Field...
193: # math: entering testEigenvalues
193: ok 1
193: ok 2
193: ok 3
193: ok 4
193: ok 5
193: ok 6
193: ok 7
193: ok 8
193: ok 9
193: ok 10
193: ok 11
193: ok 12
193: ok 13
193: ok 14
193: ok 15
193: ok 16
193: ok 17
193: ok 18
193: ok 19
193: ok 20
193: ok 21
193: ok 22
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193: ok 26
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193: ok 28
193: ok 29
193: ok 30
193: ok 31
193: ok 32
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193: ok 34
193: ok 35
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193: ok 37
193: ok 38
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193: ok 40
193: ok 41
193: ok 42
193: ok 43
193: ok 44
193: ok 45
193: ok 46
193: ok 47
193: ok 48
193: ok 49
193: ok 50
193: ok 51
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193: ok 53
193: ok 54
193: ok 55
193: ok 56
193: ok 57
193: ok 58
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193: ok 60
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193: ok 83
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193: ok 85
193: ok 86
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193: ok 88
193: ok 89
193: ok 90
193: ok 91
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193: ok 93
193: ok 94
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193: ok 96
193: ok 97
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193: ok 99
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193: ok 101
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193: ok 103
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193: ok 105
193: ok 106
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193: ok 108
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193: ok 110
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193: ok 135
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193: ok 137
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193: ok 139
193: ok 140
193: ok 141
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193: ok 143
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193: ok 145
193: ok 146
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193: ok 148
193: ok 149
193: ok 150
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193: ok 186
193: ok 187
193: ok 188
193: ok 189
193: ok 190
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193: ok 193
193: ok 194
193: ok 195
193: ok 196
193: ok 197
193: ok 198
193: ok 199
193: ok 200
193: ok 201
193: ok 202
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193: ok 207
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193: ok 209
193: ok 210
193: ok 211
193: ok 212
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193: ok 214
193: ok 215
193: ok 216
193: ok 217
193: ok 218
193: ok 219
193: ok 220
193: ok 221
193: ok 222
193: ok 223
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193: ok 225
193: ok 226
193: ok 227
193: ok 228
193: ok 229
193: ok 230
193: ok 231
193: ok 232
193: ok 233
193: ok 234
193: ok 235
193: ok 236
193: ok 237
193: ok 238
193: ok 239
193: ok 240
193: ok 241
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193: ok 243
193: ok 244
193: ok 245
193: ok 246
193: ok 247
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193: ok 273
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193: ok 276
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193: ok 280
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193: ok 319
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193: ok 321
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193: ok 323
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193: ok 407
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193: ok 409
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193: ok 411
193: ok 412
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193: ok 451
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193: ok 473
193: ok 474
193: ok 475
193: ok 476
193: ok 477
193: ok 478
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193: ok 480
193: ok 481
193: ok 482
193: ok 483
193: ok 484
193: ok 485
193: ok 486
193: ok 487
193: ok 488
193: ok 489
193: ok 490
193: ok 491
193: ok 492
193: ok 493
193: ok 494
193: ok 495
193: ok 496
193: ok 497
193: ok 498
193: ok 499
193: ok 500
193: ok 501
193: ok 502
193: ok 503
193: ok 504
193: ok 505
193: ok 506
193: ok 507
193: ok 508
193: ok 509
193: ok 510
193: ok 511
193: ok 512
193: ok 513
193: ok 514
193: ok 515
193: ok 516
193: ok 517
193: ok 518
193: ok 519
193: ok 520
193: ok 521
193: ok 522
193: ok 523
193: ok 524
193: ok 525
193: ok 526
193: ok 527
193: ok 528
193: ok 529
193: ok 530
193: ok 531
193: ok 532
193: ok 533
193: ok 534
193: ok 535
193: ok 536
193: ok 537
193: ok 538
193: ok 539
193: ok 540
193: ok 541
193: ok 542
193: ok 543
193: ok 544
193: ok 545
193: ok 546
193: ok 547
193: ok 548
193: ok 549
193: ok 550
193: ok 551
193: ok 552
193: ok 553
193: ok 554
193: ok 555
193: ok 556
193: ok 557
193: ok 558
193: ok 559
193: ok 560
193: ok 561
193: ok 562
193: ok 563
193: ok 564
193: ok 565
193: ok 566
193: ok 567
193: ok 568
193: ok 569
193: ok 570
193: ok 571
193: ok 572
193: ok 573
193: ok 574
193: ok 575
193: ok 576
193: ok 577
193: ok 578
193: ok 579
193: ok 580
193: ok 581
193: ok 582
193: ok 583
193: ok 584
193: ok 585
193: ok 586
193: ok 587
193: ok 588
193: ok 589
193: ok 590
193: ok 591
193: ok 592
193: ok 593
193: ok 594
193: ok 595
193: ok 596
193: ok 597
193: ok 598
193: ok 599
193: ok 600
193: ok 601
193: ok 602
193: ok 603
193: ok 604
193: ok 605
193: ok 606
193: ok 607
193: ok 608
193: ok 609
193: ok 610
193: ok 611
193: ok 612
193: ok 613
193: ok 614
193: ok 615
193: ok 616
193: ok 617
193: ok 618
193: ok 619
193: ok 620
193: ok 621
193: ok 622
193: ok 623
193: ok 624
193: ok 625
193: ok 626
193: ok 627
193: ok 628
193: ok 629
193: ok 630
193: ok 631
193: ok 632
193: ok 633
193: ok 634
193: ok 635
193: ok 636
193: ok 637
193: ok 638
193: ok 639
193: ok 640
193: ok 641
193: ok 642
193: ok 643
193: ok 644
193: ok 645
193: ok 646
193: ok 647
193: ok 648
193: ok 649
193: ok 650
193: ok 651
193: ok 652
193: ok 653
193: ok 654
193: ok 655
193: ok 656
193: ok 657
193: ok 658
193: ok 659
193: ok 660
193: ok 661
193: ok 662
193: ok 663
193: ok 664
193: ok 665
193: ok 666
193: ok 667
193: ok 668
193: ok 669
193: ok 670
193: ok 671
193: ok 672
193: ok 673
193: ok 674
193: ok 675
193: ok 676
193: ok 677
193: ok 678
193: ok 679
193: ok 680
193: ok 681
193: ok 682
193: ok 683
193: ok 684
193: ok 685
193: ok 686
193: ok 687
193: ok 688
193: ok 689
193: ok 690
193: ok 691
193: ok 692
193: ok 693
193: ok 694
193: ok 695
193: ok 696
193: ok 697
193: ok 698
193: ok 699
193: ok 700
193: ok 701
193: ok 702
193: ok 703
193: ok 704
193: ok 705
193: ok 706
193: ok 707
193: ok 708
193: ok 709
193: ok 710
193: ok 711
193: ok 712
193: ok 713
193: ok 714
193: ok 715
193: ok 716
193: ok 717
193: ok 718
193: ok 719
193: ok 720
193: ok 721
193: ok 722
193: ok 723
193: ok 724
193: ok 725
193: ok 726
193: ok 727
193: ok 728
193: ok 729
193: ok 730
193: ok 731
193: ok 732
193: ok 733
193: ok 734
193: ok 735
193: ok 736
193: ok 737
193: ok 738
193: ok 739
193: ok 740
193: ok 741
193: ok 742
193: ok 743
193: ok 744
193: ok 745
193: ok 746
193: ok 747
193: ok 748
193: ok 749
193: ok 750
193: ok 751
193: ok 752
193: ok 753
193: ok 754
193: ok 755
193: ok 756
193: ok 757
193: ok 758
193: ok 759
193: ok 760
193: ok 761
193: ok 762
193: ok 763
193: ok 764
193: ok 765
193: ok 766
193: ok 767
193: ok 768
193: ok 769
193: ok 770
193: ok 771
193: ok 772
193: ok 773
193: ok 774
193: ok 775
193: ok 776
193: ok 777
193: ok 778
193: ok 779
193: ok 780
193: ok 781
193: ok 782
193: ok 783
193: ok 784
193: ok 785
193: ok 786
193: ok 787
193: ok 788
193: ok 789
193: ok 790
193: ok 791
193: ok 792
193: ok 793
193: ok 794
193: ok 795
193: ok 796
193: ok 797
193: ok 798
193: ok 799
193: ok 800
193: ok 801
193: ok 802
193: ok 803
193: ok 804
193: ok 805
193: ok 806
193: ok 807
193: ok 808
193: ok 809
193: ok 810
193: ok 811
193: ok 812
193: ok 813
193: ok 814
193: ok 815
193: ok 816
193: ok 817
193: ok 818
193: ok 819
193: ok 820
193: ok 821
193: ok 822
193: ok 823
193: ok 824
193: ok 825
193: ok 826
193: ok 827
193: ok 828
193: ok 829
193: ok 830
193: ok 831
193: ok 832
193: ok 833
193: ok 834
193: ok 835
193: ok 836
193: ok 837
193: ok 838
193: ok 839
193: ok 840
193: ok 841
193: ok 842
193: ok 843
193: ok 844
193: ok 845
193: ok 846
193: ok 847
193: ok 848
193: ok 849
193: ok 850
193: ok 851
193: ok 852
193: ok 853
193: ok 854
193: ok 855
193: ok 856
193: ok 857
193: ok 858
193: ok 859
193: ok 860
193: ok 861
193: ok 862
193: ok 863
193: ok 864
193: ok 865
193: ok 866
193: ok 867
193: ok 868
193: ok 869
193: ok 870
193: ok 871
193: ok 872
193: ok 873
193: ok 874
193: ok 875
193: ok 876
193: ok 877
193: ok 878
193: ok 879
193: ok 880
193: ok 881
193: ok 882
193: ok 883
193: ok 884
193: ok 885
193: ok 886
193: ok 887
193: ok 888
193: ok 889
193: ok 890
193: ok 891
193: ok 892
193: ok 893
193: ok 894
193: ok 895
193: ok 896
193: ok 897
193: ok 898
193: ok 899
193: ok 900
193: ok 901
193: ok 902
193: ok 903
193: ok 904
193: ok 905
193: ok 906
193: ok 907
193: ok 908
193: ok 909
193: ok 910
193: ok 911
193: ok 912
193: ok 913
193: ok 914
193: ok 915
193: ok 916
193: ok 917
193: ok 918
193: ok 919
193: ok 920
193: ok 921
193: ok 922
193: ok 923
193: ok 924
193: ok 925
193: ok 926
193: ok 927
193: ok 928
193: ok 929
193: ok 930
193: ok 931
193: ok 932
193: ok 933
193: ok 934
193: ok 935
193: ok 936
193: ok 937
193: ok 938
193: ok 939
193: ok 940
193: ok 941
193: ok 942
193: ok 943
193: ok 944
193: ok 945
193: ok 946
193: ok 947
193: ok 948
193: ok 949
193: ok 950
193: ok 951
193: ok 952
193: ok 953
193: ok 954
193: ok 955
193: ok 956
193: ok 957
193: ok 958
193: ok 959
193: ok 960
193: ok 961
193: ok 962
193: ok 963
193: ok 964
193: ok 965
193: ok 966
193: ok 967
193: ok 968
193: ok 969
193: ok 970
193: ok 971
193: ok 972
193: ok 973
193: ok 974
193: ok 975
193: ok 976
193: ok 977
193: ok 978
193: ok 979
193: ok 980
193: ok 981
193: ok 982
193: ok 983
193: ok 984
193: ok 985
193: ok 986
193: ok 987
193: ok 988
193: ok 989
193: ok 990
193: ok 991
193: ok 992
193: ok 993
193: ok 994
193: ok 995
193: ok 996
193: ok 997
193: ok 998
193: ok 999
193: ok 1000
193: ok 1001
193: ok 1002
193: ok 1003
193: ok 1004
193: ok 1005
193: ok 1006
193: ok 1007
193: ok 1008
193: ok 1009
193: ok 1010
193: ok 1011
193: ok 1012
193: ok 1013
193: ok 1014
193: ok 1015
193: ok 1016
193: ok 1017
193: ok 1018
193: ok 1019
193: ok 1020
193: ok 1021
193: ok 1022
193: ok 1023
193: ok 1024
193: ok 1025
193: ok 1026
193: ok 1027
193: ok 1028
193: ok 1029
193: ok 1030
193: ok 1031
193: ok 1032
193: ok 1033
193: ok 1034
193: ok 1035
193: ok 1036
193: ok 1037
193: ok 1038
193: ok 1039
193: ok 1040
193: ok 1041
193: ok 1042
193: ok 1043
193: ok 1044
193: ok 1045
193: ok 1046
193: ok 1047
193: ok 1048
193: ok 1049
193: ok 1050
193: ok 1051
193: ok 1052
193: ok 1053
193: ok 1054
193: ok 1055
193: ok 1056
193: ok 1057
193: ok 1058
193: ok 1059
193: ok 1060
193: ok 1061
193: ok 1062
193: ok 1063
193: ok 1064
193: ok 1065
193: ok 1066
193: ok 1067
193: ok 1068
193: ok 1069
193: ok 1070
193: ok 1071
193: ok 1072
193: ok 1073
193: ok 1074
193: ok 1075
193: ok 1076
193: ok 1077
193: ok 1078
193: ok 1079
193: ok 1080
193: ok 1081
193: ok 1082
193: ok 1083
193: ok 1084
193: ok 1085
193: ok 1086
193: ok 1087
193: ok 1088
193: ok 1089
193: ok 1090
193: ok 1091
193: ok 1092
193: ok 1093
193: ok 1094
193: ok 1095
193: ok 1096
193: ok 1097
193: ok 1098
193: ok 1099
193: ok 1100
193: ok 1101
193: ok 1102
193: ok 1103
193: ok 1104
193: ok 1105
193: ok 1106
193: ok 1107
193: ok 1108
193: ok 1109
193: ok 1110
193: ok 1111
193: ok 1112
193: ok 1113
193: ok 1114
193: ok 1115
193: ok 1116
193: ok 1117
193: ok 1118
193: ok 1119
193: ok 1120
193: ok 1121
193: ok 1122
193: ok 1123
193: ok 1124
193: ok 1125
193: ok 1126
193: ok 1127
193: ok 1128
193: ok 1129
193: ok 1130
193: ok 1131
193: ok 1132
193: ok 1133
193: ok 1134
193: ok 1135
193: ok 1136
193: ok 1137
193: ok 1138
193: ok 1139
193: ok 1140
193: ok 1141
193: ok 1142
193: ok 1143
193: ok 1144
193: ok 1145
193: ok 1146
193: ok 1147
193: ok 1148
193: ok 1149
193: ok 1150
193: ok 1151
193: ok 1152
193: ok 1153
193: ok 1154
193: ok 1155
193: ok 1156
193: ok 1157
193: ok 1158
193: ok 1159
193: ok 1160
193: ok 1161
193: ok 1162
193: ok 1163
193: ok 1164
193: ok 1165
193: ok 1166
193: ok 1167
193: ok 1168
193: ok 1169
193: ok 1170
193: ok 1171
193: ok 1172
193: ok 1173
193: ok 1174
193: ok 1175
193: ok 1176
193: ok 1177
193: ok 1178
193: ok 1179
193: ok 1180
193: ok 1181
193: ok 1182
193: ok 1183
193: ok 1184
193: ok 1185
193: ok 1186
193: ok 1187
193: ok 1188
193: ok 1189
193: ok 1190
193: ok 1191
193: ok 1192
193: ok 1193
193: ok 1194
193: ok 1195
193: ok 1196
193: ok 1197
193: ok 1198
193: ok 1199
193: ok 1200
193: ok 1201
193: ok 1202
193: ok 1203
193: ok 1204
193: ok 1205
193: ok 1206
193: ok 1207
193: ok 1208
193: ok 1209
193: ok 1210
193: ok 1211
193: ok 1212
193: ok 1213
193: ok 1214
193: ok 1215
193: ok 1216
193: ok 1217
193: ok 1218
193: ok 1219
193: ok 1220
193: ok 1221
193: ok 1222
193: ok 1223
193: ok 1224
193: ok 1225
193: ok 1226
193: ok 1227
193: ok 1228
193: ok 1229
193: ok 1230
193: ok 1231
193: ok 1232
193: ok 1233
193: ok 1234
193: ok 1235
193: ok 1236
193: ok 1237
193: ok 1238
193: ok 1239
193: ok 1240
193: ok 1241
193: ok 1242
193: ok 1243
193: ok 1244
193: ok 1245
193: ok 1246
193: ok 1247
193: ok 1248
193: ok 1249
193: ok 1250
193: ok 1251
193: ok 1252
193: ok 1253
193: ok 1254
193: ok 1255
193: ok 1256
193: ok 1257
193: ok 1258
193: ok 1259
193: ok 1260
193: ok 1261
193: ok 1262
193: ok 1263
193: ok 1264
193: ok 1265
193: ok 1266
193: ok 1267
193: ok 1268
193: ok 1269
193: ok 1270
193: ok 1271
193: ok 1272
193: ok 1273
193: ok 1274
193: ok 1275
193: ok 1276
193: ok 1277
193: ok 1278
193: ok 1279
193: ok 1280
193: ok 1281
193: ok 1282
193: ok 1283
193: ok 1284
193: ok 1285
193: ok 1286
193: ok 1287
193: ok 1288
193: ok 1289
193: ok 1290
193: ok 1291
193: ok 1292
193: ok 1293
193: ok 1294
193: ok 1295
193: ok 1296
193: ok 1297
193: ok 1298
193: ok 1299
193: ok 1300
193: ok 1301
193: ok 1302
193: ok 1303
193: ok 1304
193: ok 1305
193: ok 1306
193: ok 1307
193: ok 1308
193: ok 1309
193: ok 1310
193: ok 1311
193: ok 1312
193: ok 1313
193: ok 1314
193: ok 1315
193: ok 1316
193: ok 1317
193: ok 1318
193: ok 1319
193: ok 1320
193: ok 1321
193: ok 1322
193: ok 1323
193: ok 1324
193: ok 1325
193: ok 1326
193: ok 1327
193: ok 1328
193: ok 1329
193: ok 1330
193: ok 1331
193: ok 1332
193: ok 1333
193: ok 1334
193: ok 1335
193: ok 1336
193: ok 1337
193: ok 1338
193: ok 1339
193: ok 1340
193: ok 1341
193: ok 1342
193: ok 1343
193: ok 1344
193: ok 1345
193: ok 1346
193: ok 1347
193: ok 1348
193: ok 1349
193: ok 1350
193: ok 1351
193: ok 1352
193: ok 1353
193: ok 1354
193: ok 1355
193: ok 1356
193: ok 1357
193: ok 1358
193: ok 1359
193: ok 1360
193: ok 1361
193: ok 1362
193: ok 1363
193: ok 1364
193: ok 1365
193: ok 1366
193: ok 1367
193: ok 1368
193: ok 1369
193: ok 1370
193: ok 1371
193: ok 1372
193: ok 1373
193: ok 1374
193: ok 1375
193: ok 1376
193: ok 1377
193: ok 1378
193: ok 1379
193: ok 1380
193: ok 1381
193: ok 1382
193: ok 1383
193: ok 1384
193: ok 1385
193: ok 1386
193: ok 1387
193: ok 1388
193: ok 1389
193: ok 1390
193: ok 1391
193: ok 1392
193: ok 1393
193: ok 1394
193: ok 1395
193: ok 1396
193: ok 1397
193: ok 1398
193: ok 1399
193: ok 1400
193: ok 1401
193: ok 1402
193: ok 1403
193: ok 1404
193: ok 1405
193: ok 1406
193: ok 1407
193: ok 1408
193: ok 1409
193: ok 1410
193: ok 1411
193: ok 1412
193: ok 1413
193: ok 1414
193: ok 1415
193: ok 1416
193: ok 1417
193: ok 1418
193: ok 1419
193: ok 1420
193: ok 1421
193: ok 1422
193: ok 1423
193: ok 1424
193: ok 1425
193: ok 1426
193: ok 1427
193: ok 1428
193: ok 1429
193: ok 1430
193: ok 1431
193: ok 1432
193: ok 1433
193: ok 1434
193: ok 1435
193: ok 1436
193: ok 1437
193: ok 1438
193: ok 1439
193: ok 1440
193: ok 1441
193: ok 1442
193: ok 1443
193: ok 1444
193: ok 1445
193: ok 1446
193: ok 1447
193: ok 1448
193: ok 1449
193: ok 1450
193: ok 1451
193: ok 1452
193: ok 1453
193: ok 1454
193: ok 1455
193: ok 1456
193: ok 1457
193: ok 1458
193: ok 1459
193: ok 1460
193: ok 1461
193: ok 1462
193: ok 1463
193: ok 1464
193: ok 1465
193: ok 1466
193: ok 1467
193: ok 1468
193: ok 1469
193: ok 1470
193: ok 1471
193: ok 1472
193: ok 1473
193: ok 1474
193: ok 1475
193: ok 1476
193: ok 1477
193: ok 1478
193: ok 1479
193: ok 1480
193: ok 1481
193: ok 1482
193: ok 1483
193: ok 1484
193: ok 1485
193: ok 1486
193: ok 1487
193: ok 1488
193: ok 1489
193: ok 1490
193: ok 1491
193: ok 1492
193: ok 1493
193: ok 1494
193: ok 1495
193: ok 1496
193: ok 1497
193: ok 1498
193: ok 1499
193: ok 1500
193: ok 1501
193: ok 1502
193: ok 1503
193: ok 1504
193: ok 1505
193: ok 1506
193: ok 1507
193: ok 1508
193: ok 1509
193: ok 1510
193: ok 1511
193: ok 1512
193: ok 1513
193: ok 1514
193: ok 1515
193: ok 1516
193: ok 1517
193: ok 1518
193: ok 1519
193: ok 1520
193: ok 1521
193: ok 1522
193: ok 1523
193: ok 1524
193: ok 1525
193: ok 1526
193: ok 1527
193: ok 1528
193: ok 1529
193: ok 1530
193: ok 1531
193: ok 1532
193: ok 1533
193: ok 1534
193: ok 1535
193: ok 1536
193: ok 1537
193: ok 1538
193: ok 1539
193: ok 1540
193: ok 1541
193: ok 1542
193: ok 1543
193: ok 1544
193: ok 1545
193: ok 1546
193: ok 1547
193: ok 1548
193: ok 1549
193: ok 1550
193: ok 1551
193: ok 1552
193: ok 1553
193: ok 1554
193: ok 1555
193: ok 1556
193: ok 1557
193: ok 1558
193: ok 1559
193: ok 1560
193: ok 1561
193: ok 1562
193: ok 1563
193: ok 1564
193: ok 1565
193: ok 1566
193: ok 1567
193: ok 1568
193: ok 1569
193: ok 1570
193: ok 1571
193: ok 1572
193: ok 1573
193: ok 1574
193: ok 1575
193: ok 1576
193: ok 1577
193: ok 1578
193: ok 1579
193: ok 1580
193: ok 1581
193: ok 1582
193: ok 1583
193: ok 1584
193: ok 1585
193: ok 1586
193: ok 1587
193: ok 1588
193: ok 1589
193: ok 1590
193: ok 1591
193: ok 1592
193: ok 1593
193: ok 1594
193: ok 1595
193: ok 1596
193: ok 1597
193: ok 1598
193: ok 1599
193: ok 1600
193: ok 1601
193: ok 1602
193: ok 1603
193: ok 1604
193: ok 1605
193: ok 1606
193: ok 1607
193: ok 1608
193: ok 1609
193: ok 1610
193: ok 1611
193: ok 1612
193: ok 1613
193: ok 1614
193: ok 1615
193: ok 1616
193: ok 1617
193: ok 1618
193: ok 1619
193: ok 1620
193: ok 1621
193: ok 1622
193: ok 1623
193: ok 1624
193: ok 1625
193: ok 1626
193: ok 1627
193: ok 1628
193: ok 1629
193: ok 1630
193: ok 1631
193: ok 1632
193: ok 1633
193: ok 1634
193: ok 1635
193: ok 1636
193: ok 1637
193: ok 1638
193: ok 1639
193: ok 1640
193: ok 1641
193: ok 1642
193: ok 1643
193: ok 1644
193: ok 1645
193: ok 1646
193: ok 1647
193: ok 1648
193: ok 1649
193: ok 1650
193: ok 1651
193: ok 1652
193: ok 1653
193: ok 1654
193: ok 1655
193: ok 1656
193: ok 1657
193: ok 1658
193: ok 1659
193: ok 1660
193: ok 1661
193: ok 1662
193: ok 1663
193: ok 1664
193: ok 1665
193: ok 1666
193: ok 1667
193: ok 1668
193: ok 1669
193: ok 1670
193: ok 1671
193: ok 1672
193: ok 1673
193: ok 1674
193: ok 1675
193: ok 1676
193: ok 1677
193: ok 1678
193: ok 1679
193: ok 1680
193: ok 1681
193: ok 1682
193: ok 1683
193: ok 1684
193: ok 1685
193: ok 1686
193: ok 1687
193: ok 1688
193: ok 1689
193: ok 1690
193: ok 1691
193: ok 1692
193: ok 1693
193: ok 1694
193: ok 1695
193: ok 1696
193: ok 1697
193: ok 1698
193: ok 1699
193: ok 1700
193: ok 1701
193: ok 1702
193: ok 1703
193: ok 1704
193: ok 1705
193: ok 1706
193: ok 1707
193: ok 1708
193: ok 1709
193: ok 1710
193: ok 1711
193: ok 1712
193: ok 1713
193: ok 1714
193: ok 1715
193: ok 1716
193: ok 1717
193: ok 1718
193: ok 1719
193: ok 1720
193: ok 1721
193: ok 1722
193: ok 1723
193: ok 1724
193: ok 1725
193: ok 1726
193: ok 1727
193: ok 1728
193: ok 1729
193: ok 1730
193: ok 1731
193: ok 1732
193: ok 1733
193: ok 1734
193: ok 1735
193: ok 1736
193: ok 1737
193: ok 1738
193: ok 1739
193: ok 1740
193: ok 1741
193: ok 1742
193: ok 1743
193: ok 1744
193: ok 1745
193: ok 1746
193: ok 1747
193: ok 1748
193: ok 1749
193: ok 1750
193: ok 1751
193: ok 1752
193: ok 1753
193: ok 1754
193: ok 1755
193: ok 1756
193: ok 1757
193: ok 1758
193: ok 1759
193: ok 1760
193: ok 1761
193: ok 1762
193: ok 1763
193: ok 1764
193: ok 1765
193: ok 1766
193: ok 1767
193: ok 1768
193: ok 1769
193: ok 1770
193: ok 1771
193: ok 1772
193: ok 1773
193: ok 1774
193: ok 1775
193: ok 1776
193: ok 1777
193: ok 1778
193: ok 1779
193: ok 1780
193: ok 1781
193: ok 1782
193: ok 1783
193: ok 1784
193: ok 1785
193: ok 1786
193: ok 1787
193: ok 1788
193: ok 1789
193: ok 1790
193: ok 1791
193: ok 1792
193: ok 1793
193: ok 1794
193: ok 1795
193: ok 1796
193: ok 1797
193: ok 1798
193: ok 1799
193: ok 1800
193: ok 1801
193: ok 1802
193: ok 1803
193: ok 1804
193: ok 1805
193: ok 1806
193: ok 1807
193: ok 1808
193: ok 1809
193: ok 1810
193: ok 1811
193: ok 1812
193: ok 1813
193: ok 1814
193: ok 1815
193: ok 1816
193: ok 1817
193: ok 1818
193: ok 1819
193: ok 1820
193: ok 1821
193: ok 1822
193: ok 1823
193: ok 1824
193: ok 1825
193: ok 1826
193: ok 1827
193: ok 1828
193: ok 1829
193: ok 1830
193: ok 1831
193: ok 1832
193: ok 1833
193: ok 1834
193: ok 1835
193: ok 1836
193: ok 1837
193: ok 1838
193: ok 1839
193: ok 1840
193: ok 1841
193: ok 1842
193: ok 1843
193: ok 1844
193: ok 1845
193: ok 1846
193: ok 1847
193: ok 1848
193: ok 1849
193: ok 1850
193: ok 1851
193: ok 1852
193: ok 1853
193: ok 1854
193: ok 1855
193: ok 1856
193: ok 1857
193: ok 1858
193: ok 1859
193: ok 1860
193: ok 1861
193: ok 1862
193: ok 1863
193: ok 1864
193: ok 1865
193: ok 1866
193: ok 1867
193: ok 1868
193: ok 1869
193: ok 1870
193: ok 1871
193: ok 1872
193: ok 1873
193: ok 1874
193: ok 1875
193: ok 1876
193: ok 1877
193: ok 1878
193: ok 1879
193: ok 1880
193: ok 1881
193: ok 1882
193: ok 1883
193: ok 1884
193: ok 1885
193: ok 1886
193: ok 1887
193: ok 1888
193: ok 1889
193: ok 1890
193: ok 1891
193: ok 1892
193: ok 1893
193: ok 1894
193: ok 1895
193: ok 1896
193: ok 1897
193: ok 1898
193: ok 1899
193: ok 1900
193: ok 1901
193: ok 1902
193: ok 1903
193: ok 1904
193: ok 1905
193: ok 1906
193: ok 1907
193: ok 1908
193: ok 1909
193: ok 1910
193: ok 1911
193: ok 1912
193: ok 1913
193: ok 1914
193: ok 1915
193: ok 1916
193: ok 1917
193: ok 1918
193: ok 1919
193: ok 1920
193: ok 1921
193: ok 1922
193: ok 1923
193: ok 1924
193: ok 1925
193: ok 1926
193: ok 1927
193: ok 1928
193: ok 1929
193: ok 1930
193: ok 1931
193: ok 1932
193: ok 1933
193: ok 1934
193: ok 1935
193: ok 1936
193: ok 1937
193: ok 1938
193: ok 1939
193: ok 1940
193: ok 1941
193: ok 1942
193: ok 1943
193: ok 1944
193: ok 1945
193: ok 1946
193: ok 1947
193: ok 1948
193: ok 1949
193: ok 1950
193: ok 1951
193: ok 1952
193: ok 1953
193: ok 1954
193: ok 1955
193: ok 1956
193: ok 1957
193: ok 1958
193: ok 1959
193: ok 1960
193: ok 1961
193: ok 1962
193: ok 1963
193: ok 1964
193: ok 1965
193: ok 1966
193: ok 1967
193: ok 1968
193: ok 1969
193: ok 1970
193: ok 1971
193: ok 1972
193: ok 1973
193: ok 1974
193: ok 1975
193: ok 1976
193: ok 1977
193: ok 1978
193: ok 1979
193: ok 1980
193: ok 1981
193: ok 1982
193: ok 1983
193: ok 1984
193: ok 1985
193: ok 1986
193: ok 1987
193: ok 1988
193: ok 1989
193: ok 1990
193: ok 1991
193: ok 1992
193: ok 1993
193: ok 1994
193: ok 1995
193: ok 1996
193: ok 1997
193: ok 1998
193: ok 1999
193: ok 2000
193: ok 2001
193: ok 2002
193: ok 2003
193: ok 2004
193: ok 2005
193: ok 2006
193: ok 2007
193: ok 2008
193: ok 2009
193: ok 2010
193: ok 2011
193: ok 2012
193: ok 2013
193: ok 2014
193: ok 2015
193: ok 2016
193: ok 2017
193: ok 2018
193: ok 2019
193: ok 2020
193: ok 2021
193: ok 2022
193: ok 2023
193: ok 2024
193: ok 2025
193: ok 2026
193: ok 2027
193: ok 2028
193: ok 2029
193: ok 2030
193: ok 2031
193: ok 2032
193: ok 2033
193: ok 2034
193: ok 2035
193: ok 2036
193: ok 2037
193: ok 2038
193: ok 2039
193: ok 2040
193: ok 2041
193: ok 2042
193: ok 2043
193: ok 2044
193: ok 2045
193: ok 2046
193: ok 2047
193: ok 2048
193: ok 2049
193: ok 2050
193: ok 2051
193: ok 2052
193: ok 2053
193: ok 2054
193: ok 2055
193: ok 2056
193: ok 2057
193: ok 2058
193: ok 2059
193: ok 2060
193: ok 2061
193: ok 2062
193: ok 2063
193: ok 2064
193: ok 2065
193: ok 2066
193: ok 2067
193: ok 2068
193: ok 2069
193: ok 2070
193: ok 2071
193: ok 2072
193: ok 2073
193: ok 2074
193: ok 2075
193: ok 2076
193: ok 2077
193: ok 2078
193: ok 2079
193: ok 2080
193: ok 2081
193: ok 2082
193: ok 2083
193: ok 2084
193: ok 2085
193: ok 2086
193: ok 2087
193: ok 2088
193: ok 2089
193: ok 2090
193: ok 2091
193: ok 2092
193: ok 2093
193: ok 2094
193: ok 2095
193: ok 2096
193: ok 2097
193: ok 2098
193: ok 2099
193: ok 2100
193: ok 2101
193: ok 2102
193: ok 2103
193: ok 2104
193: ok 2105
193: ok 2106
193: ok 2107
193: ok 2108
193: ok 2109
193: ok 2110
193: ok 2111
193: ok 2112
193: ok 2113
193: ok 2114
193: ok 2115
193: ok 2116
193: ok 2117
193: ok 2118
193: ok 2119
193: ok 2120
193: ok 2121
193: ok 2122
193: ok 2123
193: ok 2124
193: ok 2125
193: ok 2126
193: ok 2127
193: ok 2128
193: ok 2129
193: ok 2130
193: ok 2131
193: ok 2132
193: ok 2133
193: ok 2134
193: ok 2135
193: ok 2136
193: ok 2137
193: ok 2138
193: ok 2139
193: ok 2140
193: ok 2141
193: ok 2142
193: ok 2143
193: ok 2144
193: ok 2145
193: ok 2146
193: ok 2147
193: ok 2148
193: ok 2149
193: ok 2150
193: ok 2151
193: ok 2152
193: ok 2153
193: ok 2154
193: ok 2155
193: ok 2156
193: ok 2157
193: ok 2158
193: ok 2159
193: ok 2160
193: ok 2161
193: ok 2162
193: ok 2163
193: ok 2164
193: ok 2165
193: ok 2166
193: ok 2167
193: ok 2168
193: ok 2169
193: ok 2170
193: ok 2171
193: ok 2172
193: ok 2173
193: ok 2174
193: ok 2175
193: ok 2176
193: ok 2177
193: ok 2178
193: ok 2179
193: ok 2180
193: ok 2181
193: ok 2182
193: ok 2183
193: ok 2184
193: ok 2185
193: ok 2186
193: ok 2187
193: ok 2188
193: ok 2189
193: ok 2190
193: ok 2191
193: ok 2192
193: ok 2193
193: ok 2194
193: ok 2195
193: ok 2196
193: ok 2197
193: ok 2198
193: ok 2199
193: ok 2200
193: ok 2201
193: ok 2202
193: ok 2203
193: ok 2204
193: ok 2205
193: ok 2206
193: ok 2207
193: ok 2208
193: ok 2209
193: ok 2210
193: ok 2211
193: ok 2212
193: ok 2213
193: ok 2214
193: ok 2215
193: ok 2216
193: ok 2217
193: ok 2218
193: ok 2219
193: ok 2220
193: ok 2221
193: ok 2222
193: ok 2223
193: ok 2224
193: ok 2225
193: ok 2226
193: ok 2227
193: ok 2228
193: ok 2229
193: ok 2230
193: ok 2231
193: ok 2232
193: ok 2233
193: ok 2234
193: ok 2235
193: ok 2236
193: ok 2237
193: ok 2238
193: ok 2239
193: ok 2240
193: ok 2241
193: ok 2242
193: ok 2243
193: ok 2244
193: ok 2245
193: ok 2246
193: ok 2247
193: ok 2248
193: ok 2249
193: ok 2250
193: ok 2251
193: ok 2252
193: ok 2253
193: ok 2254
193: ok 2255
193: ok 2256
193: ok 2257
193: ok 2258
193: ok 2259
193: ok 2260
193: ok 2261
193: ok 2262
193: ok 2263
193: ok 2264
193: ok 2265
193: ok 2266
193: ok 2267
193: ok 2268
193: ok 2269
193: ok 2270
193: ok 2271
193: ok 2272
193: ok 2273
193: ok 2274
193: ok 2275
193: ok 2276
193: ok 2277
193: ok 2278
193: ok 2279
193: ok 2280
193: ok 2281
193: ok 2282
193: ok 2283
193: ok 2284
193: ok 2285
193: ok 2286
193: ok 2287
193: ok 2288
193: ok 2289
193: ok 2290
193: ok 2291
193: ok 2292
193: ok 2293
193: ok 2294
193: ok 2295
193: ok 2296
193: ok 2297
193: ok 2298
193: ok 2299
193: ok 2300
193: ok 2301
193: ok 2302
193: ok 2303
193: ok 2304
193: ok 2305
193: ok 2306
193: ok 2307
193: ok 2308
193: ok 2309
193: ok 2310
193: ok 2311
193: ok 2312
193: ok 2313
193: ok 2314
193: ok 2315
193: ok 2316
193: ok 2317
193: ok 2318
193: ok 2319
193: ok 2320
193: ok 2321
193: ok 2322
193: ok 2323
193: ok 2324
193: ok 2325
193: ok 2326
193: ok 2327
193: ok 2328
193: ok 2329
193: ok 2330
193: ok 2331
193: ok 2332
193: ok 2333
193: ok 2334
193: ok 2335
193: ok 2336
193: ok 2337
193: ok 2338
193: ok 2339
193: ok 2340
193: ok 2341
193: ok 2342
193: ok 2343
193: ok 2344
193: ok 2345
193: ok 2346
193: ok 2347
193: ok 2348
193: ok 2349
193: ok 2350
193: ok 2351
193: ok 2352
193: ok 2353
193: ok 2354
193: ok 2355
193: ok 2356
193: ok 2357
193: ok 2358
193: ok 2359
193: ok 2360
193: ok 2361
193: ok 2362
193: ok 2363
193: ok 2364
193: ok 2365
193: ok 2366
193: ok 2367
193: ok 2368
193: ok 2369
193: ok 2370
193: ok 2371
193: ok 2372
193: ok 2373
193: ok 2374
193: ok 2375
193: ok 2376
193: ok 2377
193: ok 2378
193: ok 2379
193: ok 2380
193: ok 2381
193: ok 2382
193: ok 2383
193: ok 2384
193: ok 2385
193: ok 2386
193: ok 2387
193: ok 2388
193: ok 2389
193: ok 2390
193: ok 2391
193: ok 2392
193: ok 2393
193: ok 2394
193: ok 2395
193: ok 2396
193: ok 2397
193: ok 2398
193: ok 2399
193: ok 2400
193: ok 2401
193: ok 2402
193: ok 2403
193: ok 2404
193: ok 2405
193: ok 2406
193: ok 2407
193: ok 2408
193: ok 2409
193: ok 2410
193: ok 2411
193: ok 2412
193: ok 2413
193: ok 2414
193: ok 2415
193: ok 2416
193: ok 2417
193: ok 2418
193: ok 2419
193: ok 2420
193: ok 2421
193: ok 2422
193: ok 2423
193: ok 2424
193: ok 2425
193: ok 2426
193: ok 2427
193: ok 2428
193: ok 2429
193: ok 2430
193: ok 2431
193: ok 2432
193: ok 2433
193: ok 2434
193: ok 2435
193: ok 2436
193: ok 2437
193: ok 2438
193: ok 2439
193: ok 2440
193: ok 2441
193: ok 2442
193: ok 2443
193: ok 2444
193: ok 2445
193: ok 2446
193: ok 2447
193: ok 2448
193: ok 2449
193: ok 2450
193: ok 2451
193: ok 2452
193: ok 2453
193: ok 2454
193: ok 2455
193: ok 2456
193: ok 2457
193: ok 2458
193: ok 2459
193: ok 2460
193: ok 2461
193: ok 2462
193: ok 2463
193: ok 2464
193: ok 2465
193: ok 2466
193: ok 2467
193: ok 2468
193: ok 2469
193: ok 2470
193: ok 2471
193: ok 2472
193: ok 2473
193: ok 2474
193: ok 2475
193: ok 2476
193: ok 2477
193: ok 2478
193: ok 2479
193: ok 2480
193: ok 2481
193: ok 2482
193: ok 2483
193: ok 2484
193: ok 2485
193: ok 2486
193: ok 2487
193: ok 2488
193: ok 2489
193: ok 2490
193: ok 2491
193: ok 2492
193: ok 2493
193: ok 2494
193: ok 2495
193: ok 2496
193: ok 2497
193: ok 2498
193: ok 2499
193: ok 2500
193: ok 2501
193: ok 2502
193: ok 2503
193: ok 2504
193: ok 2505
193: ok 2506
193: ok 2507
193: ok 2508
193: ok 2509
193: ok 2510
193: ok 2511
193: ok 2512
193: ok 2513
193: ok 2514
193: ok 2515
193: ok 2516
193: ok 2517
193: ok 2518
193: ok 2519
193: ok 2520
193: ok 2521
193: ok 2522
193: ok 2523
193: ok 2524
193: ok 2525
193: ok 2526
193: ok 2527
193: ok 2528
193: ok 2529
193: ok 2530
193: ok 2531
193: ok 2532
193: ok 2533
193: ok 2534
193: ok 2535
193: ok 2536
193: ok 2537
193: ok 2538
193: ok 2539
193: ok 2540
193: ok 2541
193: ok 2542
193: ok 2543
193: ok 2544
193: ok 2545
193: ok 2546
193: ok 2547
193: ok 2548
193: ok 2549
193: ok 2550
193: ok 2551
193: ok 2552
193: ok 2553
193: ok 2554
193: ok 2555
193: ok 2556
193: ok 2557
193: ok 2558
193: ok 2559
193: ok 2560
193: ok 2561
193: ok 2562
193: ok 2563
193: ok 2564
193: ok 2565
193: ok 2566
193: ok 2567
193: ok 2568
193: ok 2569
193: ok 2570
193: ok 2571
193: ok 2572
193: ok 2573
193: ok 2574
193: ok 2575
193: ok 2576
193: ok 2577
193: ok 2578
193: ok 2579
193: ok 2580
193: ok 2581
193: ok 2582
193: ok 2583
193: ok 2584
193: ok 2585
193: ok 2586
193: ok 2587
193: ok 2588
193: ok 2589
193: ok 2590
193: ok 2591
193: ok 2592
193: ok 2593
193: ok 2594
193: ok 2595
193: ok 2596
193: ok 2597
193: ok 2598
193: ok 2599
193: ok 2600
193: ok 2601
193: ok 2602
193: ok 2603
193: ok 2604
193: ok 2605
193: ok 2606
193: ok 2607
193: ok 2608
193: ok 2609
193: ok 2610
193: ok 2611
193: ok 2612
193: ok 2613
193: ok 2614
193: ok 2615
193: ok 2616
193: ok 2617
193: ok 2618
193: ok 2619
193: ok 2620
193: ok 2621
193: ok 2622
193: ok 2623
193: ok 2624
193: ok 2625
193: ok 2626
193: ok 2627
193: ok 2628
193: ok 2629
193: ok 2630
193: ok 2631
193: ok 2632
193: ok 2633
193: ok 2634
193: ok 2635
193: ok 2636
193: ok 2637
193: ok 2638
193: ok 2639
193: ok 2640
193: ok 2641
193: ok 2642
193: ok 2643
193: ok 2644
193: ok 2645
193: ok 2646
193: ok 2647
193: ok 2648
193: ok 2649
193: ok 2650
193: ok 2651
193: ok 2652
193: ok 2653
193: ok 2654
193: ok 2655
193: ok 2656
193: ok 2657
193: ok 2658
193: ok 2659
193: ok 2660
193: ok 2661
193: ok 2662
193: ok 2663
193: ok 2664
193: ok 2665
193: ok 2666
193: ok 2667
193: ok 2668
193: ok 2669
193: ok 2670
193: ok 2671
193: ok 2672
193: ok 2673
193: ok 2674
193: ok 2675
193: ok 2676
193: ok 2677
193: ok 2678
193: ok 2679
193: ok 2680
193: ok 2681
193: ok 2682
193: ok 2683
193: ok 2684
193: ok 2685
193: ok 2686
193: ok 2687
193: ok 2688
193: ok 2689
193: ok 2690
193: ok 2691
193: ok 2692
193: ok 2693
193: ok 2694
193: ok 2695
193: ok 2696
193: ok 2697
193: ok 2698
193: ok 2699
193: ok 2700
193: ok 2701
193: ok 2702
193: ok 2703
193: ok 2704
193: ok 2705
193: ok 2706
193: ok 2707
193: ok 2708
193: ok 2709
193: ok 2710
193: ok 2711
193: ok 2712
193: ok 2713
193: ok 2714
193: ok 2715
193: ok 2716
193: ok 2717
193: ok 2718
193: ok 2719
193: ok 2720
193: ok 2721
193: ok 2722
193: ok 2723
193: ok 2724
193: ok 2725
193: ok 2726
193: ok 2727
193: ok 2728
193: ok 2729
193: ok 2730
193: ok 2731
193: ok 2732
193: ok 2733
193: ok 2734
193: ok 2735
193: ok 2736
193: ok 2737
193: ok 2738
193: ok 2739
193: ok 2740
193: ok 2741
193: ok 2742
193: ok 2743
193: ok 2744
193: ok 2745
193: ok 2746
193: ok 2747
193: ok 2748
193: ok 2749
193: ok 2750
193: ok 2751
193: ok 2752
193: ok 2753
193: ok 2754
193: ok 2755
193: ok 2756
193: ok 2757
193: ok 2758
193: ok 2759
193: ok 2760
193: ok 2761
193: ok 2762
193: ok 2763
193: ok 2764
193: ok 2765
193: ok 2766
193: ok 2767
193: ok 2768
193: ok 2769
193: ok 2770
193: ok 2771
193: ok 2772
193: ok 2773
193: ok 2774
193: ok 2775
193: ok 2776
193: ok 2777
193: ok 2778
193: ok 2779
193: ok 2780
193: ok 2781
193: ok 2782
193: ok 2783
193: ok 2784
193: ok 2785
193: ok 2786
193: ok 2787
193: ok 2788
193: ok 2789
193: ok 2790
193: ok 2791
193: ok 2792
193: ok 2793
193: ok 2794
193: ok 2795
193: ok 2796
193: ok 2797
193: ok 2798
193: ok 2799
193: ok 2800
193: ok 2801
193: ok 2802
193: ok 2803
193: ok 2804
193: ok 2805
193: ok 2806
193: ok 2807
193: ok 2808
193: ok 2809
193: ok 2810
193: ok 2811
193: ok 2812
193: ok 2813
193: ok 2814
193: ok 2815
193: ok 2816
193: ok 2817
193: ok 2818
193: ok 2819
193: ok 2820
193: ok 2821
193: ok 2822
193: ok 2823
193: ok 2824
193: ok 2825
193: ok 2826
193: ok 2827
193: ok 2828
193: ok 2829
193: ok 2830
193: ok 2831
193: ok 2832
193: ok 2833
193: ok 2834
193: ok 2835
193: ok 2836
193: ok 2837
193: ok 2838
193: ok 2839
193: ok 2840
193: ok 2841
193: ok 2842
193: ok 2843
193: ok 2844
193: ok 2845
193: ok 2846
193: ok 2847
193: ok 2848
193: ok 2849
193: ok 2850
193: ok 2851
193: ok 2852
193: ok 2853
193: ok 2854
193: ok 2855
193: ok 2856
193: ok 2857
193: ok 2858
193: ok 2859
193: ok 2860
193: ok 2861
193: ok 2862
193: ok 2863
193: ok 2864
193: ok 2865
193: ok 2866
193: ok 2867
193: ok 2868
193: ok 2869
193: ok 2870
193: ok 2871
193: ok 2872
193: ok 2873
193: ok 2874
193: ok 2875
193: ok 2876
193: ok 2877
193: ok 2878
193: ok 2879
193: ok 2880
193: ok 2881
193: ok 2882
193: ok 2883
193: ok 2884
193: ok 2885
193: ok 2886
193: ok 2887
193: ok 2888
193: ok 2889
193: ok 2890
193: ok 2891
193: ok 2892
193: ok 2893
193: ok 2894
193: ok 2895
193: ok 2896
193: ok 2897
193: ok 2898
193: ok 2899
193: ok 2900
193: ok 2901
193: ok 2902
193: ok 2903
193: ok 2904
193: ok 2905
193: ok 2906
193: ok 2907
193: ok 2908
193: ok 2909
193: ok 2910
193: ok 2911
193: ok 2912
193: ok 2913
193: ok 2914
193: ok 2915
193: ok 2916
193: ok 2917
193: ok 2918
193: ok 2919
193: ok 2920
193: ok 2921
193: ok 2922
193: ok 2923
193: ok 2924
193: ok 2925
193: ok 2926
193: ok 2927
193: ok 2928
193: ok 2929
193: ok 2930
193: ok 2931
193: ok 2932
193: ok 2933
193: ok 2934
193: ok 2935
193: ok 2936
193: ok 2937
193: ok 2938
193: ok 2939
193: ok 2940
193: ok 2941
193: ok 2942
193: ok 2943
193: ok 2944
193: ok 2945
193: ok 2946
193: ok 2947
193: ok 2948
193: ok 2949
193: ok 2950
193: ok 2951
193: ok 2952
193: ok 2953
193: ok 2954
193: ok 2955
193: ok 2956
193: ok 2957
193: ok 2958
193: ok 2959
193: ok 2960
193: ok 2961
193: ok 2962
193: ok 2963
193: ok 2964
193: ok 2965
193: ok 2966
193: ok 2967
193: ok 2968
193: ok 2969
193: ok 2970
193: ok 2971
193: ok 2972
193: ok 2973
193: ok 2974
193: ok 2975
193: ok 2976
193: ok 2977
193: ok 2978
193: ok 2979
193: ok 2980
193: ok 2981
193: ok 2982
193: ok 2983
193: ok 2984
193: ok 2985
193: ok 2986
193: ok 2987
193: ok 2988
193: ok 2989
193: ok 2990
193: ok 2991
193: ok 2992
193: ok 2993
193: ok 2994
193: ok 2995
193: ok 2996
193: ok 2997
193: ok 2998
193: ok 2999
193: ok 3000
193: ok 3001
193: ok 3002
193: ok 3003
193: ok 3004
193: ok 3005
193: ok 3006
193: ok 3007
193: ok 3008
193: ok 3009
193: ok 3010
193: ok 3011
193: ok 3012
193: ok 3013
193: ok 3014
193: ok 3015
193: ok 3016
193: ok 3017
193: ok 3018
193: ok 3019
193: ok 3020
193: ok 3021
193: ok 3022
193: ok 3023
193: ok 3024
193: ok 3025
193: ok 3026
193: ok 3027
193: ok 3028
193: ok 3029
193: ok 3030
193: ok 3031
193: ok 3032
193: ok 3033
193: ok 3034
193: ok 3035
193: ok 3036
193: ok 3037
193: ok 3038
193: ok 3039
193: ok 3040
193: ok 3041
193: ok 3042
193: ok 3043
193: ok 3044
193: ok 3045
193: ok 3046
193: ok 3047
193: ok 3048
193: ok 3049
193: ok 3050
193: ok 3051
193: ok 3052
193: ok 3053
193: ok 3054
193: ok 3055
193: ok 3056
193: ok 3057
193: ok 3058
193: ok 3059
193: ok 3060
193: ok 3061
193: ok 3062
193: ok 3063
193: ok 3064
193: ok 3065
193: ok 3066
193: ok 3067
193: ok 3068
193: ok 3069
193: ok 3070
193: ok 3071
193: ok 3072
193: ok 3073
193: ok 3074
193: ok 3075
193: ok 3076
193: ok 3077
193: ok 3078
193: ok 3079
193: ok 3080
193: ok 3081
193: ok 3082
193: ok 3083
193: ok 3084
193: ok 3085
193: ok 3086
193: ok 3087
193: ok 3088
193: ok 3089
193: ok 3090
193: ok 3091
193: ok 3092
193: ok 3093
193: ok 3094
193: ok 3095
193: ok 3096
193: ok 3097
193: ok 3098
193: ok 3099
193: ok 3100
193: ok 3101
193: ok 3102
193: ok 3103
193: ok 3104
193: ok 3105
193: ok 3106
193: ok 3107
193: ok 3108
193: ok 3109
193: ok 3110
193: ok 3111
193: ok 3112
193: ok 3113
193: ok 3114
193: ok 3115
193: ok 3116
193: ok 3117
193: ok 3118
193: ok 3119
193: ok 3120
193: ok 3121
193: ok 3122
193: ok 3123
193: ok 3124
193: ok 3125
193: ok 3126
193: ok 3127
193: ok 3128
193: ok 3129
193: ok 3130
193: ok 3131
193: ok 3132
193: ok 3133
193: ok 3134
193: ok 3135
193: ok 3136
193: ok 3137
193: ok 3138
193: ok 3139
193: ok 3140
193: ok 3141
193: ok 3142
193: ok 3143
193: ok 3144
193: ok 3145
193: ok 3146
193: ok 3147
193: ok 3148
193: ok 3149
193: ok 3150
193: ok 3151
193: ok 3152
193: ok 3153
193: ok 3154
193: ok 3155
193: ok 3156
193: ok 3157
193: ok 3158
193: ok 3159
193: ok 3160
193: ok 3161
193: ok 3162
193: ok 3163
193: ok 3164
193: ok 3165
193: ok 3166
193: ok 3167
193: ok 3168
193: ok 3169
193: ok 3170
193: ok 3171
193: ok 3172
193: ok 3173
193: ok 3174
193: ok 3175
193: ok 3176
193: ok 3177
193: ok 3178
193: ok 3179
193: ok 3180
193: ok 3181
193: ok 3182
193: ok 3183
193: ok 3184
193: ok 3185
193: ok 3186
193: ok 3187
193: ok 3188
193: ok 3189
193: ok 3190
193: ok 3191
193: ok 3192
193: ok 3193
193: ok 3194
193: ok 3195
193: ok 3196
193: ok 3197
193: ok 3198
193: ok 3199
193: ok 3200
193: ok 3201
193: ok 3202
193: ok 3203
193: ok 3204
193: ok 3205
193: ok 3206
193: ok 3207
193: ok 3208
193: ok 3209
193: ok 3210
193: ok 3211
193: ok 3212
193: ok 3213
193: ok 3214
193: ok 3215
193: ok 3216
193: ok 3217
193: ok 3218
193: ok 3219
193: ok 3220
193: ok 3221
193: ok 3222
193: ok 3223
193: ok 3224
193: ok 3225
193: ok 3226
193: ok 3227
193: ok 3228
193: ok 3229
193: ok 3230
193: ok 3231
193: ok 3232
193: ok 3233
193: ok 3234
193: ok 3235
193: ok 3236
193: ok 3237
193: ok 3238
193: ok 3239
193: ok 3240
193: ok 3241
193: ok 3242
193: ok 3243
193: ok 3244
193: ok 3245
193: ok 3246
193: ok 3247
193: ok 3248
193: ok 3249
193: ok 3250
193: ok 3251
193: ok 3252
193: ok 3253
193: ok 3254
193: ok 3255
193: ok 3256
193: ok 3257
193: ok 3258
193: ok 3259
193: ok 3260
193: ok 3261
193: ok 3262
193: ok 3263
193: ok 3264
193: ok 3265
193: ok 3266
193: ok 3267
193: ok 3268
193: ok 3269
193: ok 3270
193: ok 3271
193: ok 3272
193: ok 3273
193: ok 3274
193: ok 3275
193: ok 3276
193: ok 3277
193: ok 3278
193: ok 3279
193: ok 3280
193: ok 3281
193: ok 3282
193: ok 3283
193: ok 3284
193: ok 3285
193: ok 3286
193: ok 3287
193: ok 3288
193: ok 3289
193: ok 3290
193: ok 3291
193: ok 3292
193: ok 3293
193: ok 3294
193: ok 3295
193: ok 3296
193: ok 3297
193: ok 3298
193: ok 3299
193: ok 3300
193: ok 3301
193: ok 3302
193: ok 3303
193: ok 3304
193: ok 3305
193: ok 3306
193: ok 3307
193: ok 3308
193: ok 3309
193: ok 3310
193: ok 3311
193: ok 3312
193: ok 3313
193: ok 3314
193: ok 3315
193: ok 3316
193: ok 3317
193: ok 3318
193: ok 3319
193: ok 3320
193: ok 3321
193: ok 3322
193: ok 3323
193: ok 3324
193: ok 3325
193: ok 3326
193: ok 3327
193: ok 3328
193: ok 3329
193: ok 3330
193: ok 3331
193: ok 3332
193: ok 3333
193: ok 3334
193: ok 3335
193: ok 3336
193: ok 3337
193: ok 3338
193: ok 3339
193: ok 3340
193: ok 3341
193: ok 3342
193: ok 3343
193: ok 3344
193: ok 3345
193: ok 3346
193: ok 3347
193: ok 3348
193: ok 3349
193: ok 3350
193: ok 3351
193: ok 3352
193: ok 3353
193: ok 3354
193: ok 3355
193: ok 3356
193: ok 3357
193: ok 3358
193: ok 3359
193: ok 3360
193: ok 3361
193: ok 3362
193: ok 3363
193: ok 3364
193: ok 3365
193: ok 3366
193: ok 3367
193: ok 3368
193: ok 3369
193: ok 3370
193: ok 3371
193: ok 3372
193: ok 3373
193: ok 3374
193: ok 3375
193: ok 3376
193: ok 3377
193: ok 3378
193: ok 3379
193: ok 3380
193: ok 3381
193: ok 3382
193: ok 3383
193: ok 3384
193: ok 3385
193: ok 3386
193: ok 3387
193: ok 3388
193: ok 3389
193: ok 3390
193: ok 3391
193: ok 3392
193: ok 3393
193: ok 3394
193: ok 3395
193: ok 3396
193: ok 3397
193: ok 3398
193: ok 3399
193: ok 3400
193: ok 3401
193: ok 3402
193: ok 3403
193: ok 3404
193: ok 3405
193: ok 3406
193: ok 3407
193: ok 3408
193: ok 3409
193: ok 3410
193: ok 3411
193: ok 3412
193: ok 3413
193: ok 3414
193: ok 3415
193: ok 3416
193: ok 3417
193: ok 3418
193: ok 3419
193: ok 3420
193: ok 3421
193: ok 3422
193: ok 3423
193: ok 3424
193: ok 3425
193: ok 3426
193: ok 3427
193: ok 3428
193: ok 3429
193: ok 3430
193: ok 3431
193: ok 3432
193: ok 3433
193: ok 3434
193: ok 3435
193: ok 3436
193: ok 3437
193: ok 3438
193: ok 3439
193: ok 3440
193: ok 3441
193: ok 3442
193: ok 3443
193: ok 3444
193: ok 3445
193: ok 3446
193: ok 3447
193: ok 3448
193: ok 3449
193: ok 3450
193: ok 3451
193: ok 3452
193: ok 3453
193: ok 3454
193: ok 3455
193: ok 3456
193: ok 3457
193: ok 3458
193: ok 3459
193: ok 3460
193: ok 3461
193: ok 3462
193: ok 3463
193: ok 3464
193: ok 3465
193: ok 3466
193: ok 3467
193: ok 3468
193: ok 3469
193: ok 3470
193: ok 3471
193: ok 3472
193: ok 3473
193: ok 3474
193: ok 3475
193: ok 3476
193: ok 3477
193: ok 3478
193: ok 3479
193: ok 3480
193: ok 3481
193: ok 3482
193: ok 3483
193: ok 3484
193: ok 3485
193: ok 3486
193: ok 3487
193: ok 3488
193: ok 3489
193: ok 3490
193: ok 3491
193: ok 3492
193: ok 3493
193: ok 3494
193: ok 3495
193: ok 3496
193: ok 3497
193: ok 3498
193: ok 3499
193: ok 3500
193: ok 3501
193: ok 3502
193: ok 3503
193: ok 3504
193: ok 3505
193: ok 3506
193: ok 3507
193: ok 3508
193: ok 3509
193: ok 3510
193: ok 3511
193: ok 3512
193: ok 3513
193: ok 3514
193: ok 3515
193: ok 3516
193: ok 3517
193: ok 3518
193: ok 3519
193: ok 3520
193: ok 3521
193: ok 3522
193: ok 3523
193: ok 3524
193: ok 3525
193: ok 3526
193: ok 3527
193: ok 3528
193: ok 3529
193: ok 3530
193: ok 3531
193: ok 3532
193: ok 3533
193: ok 3534
193: ok 3535
193: ok 3536
193: ok 3537
193: ok 3538
193: ok 3539
193: ok 3540
193: ok 3541
193: ok 3542
193: ok 3543
193: ok 3544
193: ok 3545
193: ok 3546
193: ok 3547
193: ok 3548
193: ok 3549
193: ok 3550
193: ok 3551
193: ok 3552
193: ok 3553
193: ok 3554
193: ok 3555
193: ok 3556
193: ok 3557
193: ok 3558
193: ok 3559
193: ok 3560
193: ok 3561
193: ok 3562
193: ok 3563
193: ok 3564
193: ok 3565
193: ok 3566
193: ok 3567
193: ok 3568
193: ok 3569
193: ok 3570
193: ok 3571
193: ok 3572
193: ok 3573
193: ok 3574
193: ok 3575
193: ok 3576
193: ok 3577
193: ok 3578
193: ok 3579
193: ok 3580
193: ok 3581
193: ok 3582
193: ok 3583
193: ok 3584
193: ok 3585
193: ok 3586
193: ok 3587
193: ok 3588
193: ok 3589
193: ok 3590
193: ok 3591
193: ok 3592
193: ok 3593
193: ok 3594
193: ok 3595
193: ok 3596
193: ok 3597
193: ok 3598
193: ok 3599
193: ok 3600
193: ok 3601
193: ok 3602
193: ok 3603
193: ok 3604
193: ok 3605
193: ok 3606
193: ok 3607
193: ok 3608
193: ok 3609
193: ok 3610
193: ok 3611
193: ok 3612
193: ok 3613
193: ok 3614
193: ok 3615
193: ok 3616
193: ok 3617
193: ok 3618
193: ok 3619
193: ok 3620
193: ok 3621
193: ok 3622
193: ok 3623
193: ok 3624
193: ok 3625
193: ok 3626
193: ok 3627
193: ok 3628
193: ok 3629
193: ok 3630
193: ok 3631
193: ok 3632
193: ok 3633
193: ok 3634
193: ok 3635
193: ok 3636
193: ok 3637
193: ok 3638
193: ok 3639
193: ok 3640
193: ok 3641
193: ok 3642
193: ok 3643
193: ok 3644
193: ok 3645
193: ok 3646
193: ok 3647
193: ok 3648
193: ok 3649
193: ok 3650
193: ok 3651
193: ok 3652
193: ok 3653
193: ok 3654
193: ok 3655
193: ok 3656
193: ok 3657
193: ok 3658
193: ok 3659
193: ok 3660
193: ok 3661
193: ok 3662
193: ok 3663
193: ok 3664
193: ok 3665
193: ok 3666
193: ok 3667
193: ok 3668
193: ok 3669
193: ok 3670
193: ok 3671
193: ok 3672
193: ok 3673
193: ok 3674
193: ok 3675
193: ok 3676
193: ok 3677
193: ok 3678
193: ok 3679
193: ok 3680
193: ok 3681
193: ok 3682
193: ok 3683
193: ok 3684
193: ok 3685
193: ok 3686
193: ok 3687
193: ok 3688
193: ok 3689
193: ok 3690
193: ok 3691
193: ok 3692
193: ok 3693
193: ok 3694
193: ok 3695
193: ok 3696
193: ok 3697
193: ok 3698
193: ok 3699
193: ok 3700
193: ok 3701
193: ok 3702
193: ok 3703
193: ok 3704
193: ok 3705
193: ok 3706
193: ok 3707
193: ok 3708
193: ok 3709
193: ok 3710
193: ok 3711
193: ok 3712
193: ok 3713
193: ok 3714
193: ok 3715
193: ok 3716
193: ok 3717
193: ok 3718
193: ok 3719
193: ok 3720
193: ok 3721
193: ok 3722
193: ok 3723
193: ok 3724
193: ok 3725
193: ok 3726
193: ok 3727
193: ok 3728
193: ok 3729
193: ok 3730
193: ok 3731
193: ok 3732
193: ok 3733
193: ok 3734
193: ok 3735
193: ok 3736
193: ok 3737
193: ok 3738
193: ok 3739
193: ok 3740
193: ok 3741
193: ok 3742
193: ok 3743
193: ok 3744
193: ok 3745
193: ok 3746
193: ok 3747
193: ok 3748
193: ok 3749
193: ok 3750
193: ok 3751
193: ok 3752
193: ok 3753
193: ok 3754
193: ok 3755
193: ok 3756
193: ok 3757
193: ok 3758
193: ok 3759
193: ok 3760
193: ok 3761
193: ok 3762
193: ok 3763
193: ok 3764
193: ok 3765
193: ok 3766
193: ok 3767
193: ok 3768
193: ok 3769
193: ok 3770
193: ok 3771
193: ok 3772
193: ok 3773
193: ok 3774
193: ok 3775
193: ok 3776
193: ok 3777
193: ok 3778
193: ok 3779
193: ok 3780
193: ok 3781
193: ok 3782
193: ok 3783
193: ok 3784
193: ok 3785
193: ok 3786
193: ok 3787
193: ok 3788
193: ok 3789
193: ok 3790
193: ok 3791
193: ok 3792
193: ok 3793
193: ok 3794
193: ok 3795
193: ok 3796
193: ok 3797
193: ok 3798
193: ok 3799
193: ok 3800
193: ok 3801
193: ok 3802
193: ok 3803
193: ok 3804
193: ok 3805
193: ok 3806
193: ok 3807
193: ok 3808
193: ok 3809
193: ok 3810
193: ok 3811
193: ok 3812
193: ok 3813
193: ok 3814
193: ok 3815
193: ok 3816
193: ok 3817
193: ok 3818
193: ok 3819
193: ok 3820
193: ok 3821
193: ok 3822
193: ok 3823
193: ok 3824
193: ok 3825
193: ok 3826
193: ok 3827
193: ok 3828
193: ok 3829
193: ok 3830
193: ok 3831
193: ok 3832
193: ok 3833
193: ok 3834
193: ok 3835
193: ok 3836
193: ok 3837
193: ok 3838
193: ok 3839
193: ok 3840
193: ok 3841
193: ok 3842
193: ok 3843
193: ok 3844
193: ok 3845
193: ok 3846
193: ok 3847
193: ok 3848
193: ok 3849
193: ok 3850
193: ok 3851
193: ok 3852
193: ok 3853
193: ok 3854
193: ok 3855
193: ok 3856
193: ok 3857
193: ok 3858
193: ok 3859
193: ok 3860
193: ok 3861
193: ok 3862
193: ok 3863
193: ok 3864
193: ok 3865
193: ok 3866
193: ok 3867
193: ok 3868
193: ok 3869
193: ok 3870
193: ok 3871
193: ok 3872
193: ok 3873
193: ok 3874
193: ok 3875
193: ok 3876
193: ok 3877
193: ok 3878
193: ok 3879
193: ok 3880
193: ok 3881
193: ok 3882
193: ok 3883
193: ok 3884
193: ok 3885
193: ok 3886
193: ok 3887
193: ok 3888
193: ok 3889
193: ok 3890
193: ok 3891
193: ok 3892
193: ok 3893
193: ok 3894
193: ok 3895
193: ok 3896
193: ok 3897
193: ok 3898
193: ok 3899
193: ok 3900
193: ok 3901
193: ok 3902
193: ok 3903
193: ok 3904
193: ok 3905
193: ok 3906
193: ok 3907
193: ok 3908
193: ok 3909
193: ok 3910
193: ok 3911
193: ok 3912
193: ok 3913
193: ok 3914
193: ok 3915
193: ok 3916
193: ok 3917
193: ok 3918
193: ok 3919
193: ok 3920
193: ok 3921
193: ok 3922
193: ok 3923
193: ok 3924
193: ok 3925
193: ok 3926
193: ok 3927
193: ok 3928
193: ok 3929
193: ok 3930
193: ok 3931
193: ok 3932
193: ok 3933
193: ok 3934
193: ok 3935
193: ok 3936
193: ok 3937
193: ok 3938
193: ok 3939
193: ok 3940
193: ok 3941
193: ok 3942
193: ok 3943
193: ok 3944
193: ok 3945
193: ok 3946
193: ok 3947
193: ok 3948
193: ok 3949
193: ok 3950
193: ok 3951
193: ok 3952
193: ok 3953
193: ok 3954
193: ok 3955
193: ok 3956
193: ok 3957
193: ok 3958
193: ok 3959
193: ok 3960
193: ok 3961
193: ok 3962
193: ok 3963
193: ok 3964
193: ok 3965
193: ok 3966
193: ok 3967
193: ok 3968
193: ok 3969
193: ok 3970
193: ok 3971
193: ok 3972
193: ok 3973
193: ok 3974
193: ok 3975
193: ok 3976
193: ok 3977
193: ok 3978
193: ok 3979
193: ok 3980
193: ok 3981
193: ok 3982
193: ok 3983
193: ok 3984
193: ok 3985
193: ok 3986
193: ok 3987
193: ok 3988
193: ok 3989
193: ok 3990
193: ok 3991
193: ok 3992
193: ok 3993
193: ok 3994
193: ok 3995
193: ok 3996
193: ok 3997
193: ok 3998
193: ok 3999
193: ok 4000
193: ok 4001
193: ok 4002
193: ok 4003
193: ok 4004
193: ok 4005
193: ok 4006
193: ok 4007
193: ok 4008
193: ok 4009
193: ok 4010
193: ok 4011
193: ok 4012
193: ok 4013
193: ok 4014
193: ok 4015
193: ok 4016
193: ok 4017
193: ok 4018
193: ok 4019
193: ok 4020
193: ok 4021
193: ok 4022
193: ok 4023
193: ok 4024
193: ok 4025
193: ok 4026
193: ok 4027
193: ok 4028
193: ok 4029
193: ok 4030
193: ok 4031
193: ok 4032
193: ok 4033
193: ok 4034
193: ok 4035
193: ok 4036
193: ok 4037
193: ok 4038
193: ok 4039
193: ok 4040
193: ok 4041
193: ok 4042
193: ok 4043
193: ok 4044
193: ok 4045
193: ok 4046
193: ok 4047
193: ok 4048
193: ok 4049
193: ok 4050
193: ok 4051
193: ok 4052
193: ok 4053
193: ok 4054
193: ok 4055
193: ok 4056
193: ok 4057
193: ok 4058
193: ok 4059
193: ok 4060
193: ok 4061
193: ok 4062
193: ok 4063
193: ok 4064
193: ok 4065
193: ok 4066
193: ok 4067
193: ok 4068
193: ok 4069
193: ok 4070
193: ok 4071
193: ok 4072
193: ok 4073
193: ok 4074
193: ok 4075
193: ok 4076
193: ok 4077
193: ok 4078
193: ok 4079
193: ok 4080
193: ok 4081
193: ok 4082
193: ok 4083
193: ok 4084
193: ok 4085
193: ok 4086
193: ok 4087
193: ok 4088
193: ok 4089
193: ok 4090
193: ok 4091
193: ok 4092
193: ok 4093
193: ok 4094
193: ok 4095
193: ok 4096
193: ok 4097
193: ok 4098
193: ok 4099
193: ok 4100
193: ok 4101
193: ok 4102
193: ok 4103
193: ok 4104
193: ok 4105
193: ok 4106
193: ok 4107
193: ok 4108
193: ok 4109
193: ok 4110
193: ok 4111
193: ok 4112
193: ok 4113
193: ok 4114
193: ok 4115
193: ok 4116
193: ok 4117
193: ok 4118
193: ok 4119
193: ok 4120
193: ok 4121
193: ok 4122
193: ok 4123
193: ok 4124
193: ok 4125
193: ok 4126
193: ok 4127
193: ok 4128
193: ok 4129
193: ok 4130
193: ok 4131
193: ok 4132
193: ok 4133
193: ok 4134
193: ok 4135
193: ok 4136
193: ok 4137
193: ok 4138
193: ok 4139
193: ok 4140
193: ok 4141
193: ok 4142
193: ok 4143
193: ok 4144
193: ok 4145
193: ok 4146
193: ok 4147
193: ok 4148
193: ok 4149
193: ok 4150
193: ok 4151
193: ok 4152
193: ok 4153
193: ok 4154
193: ok 4155
193: ok 4156
193: ok 4157
193: ok 4158
193: ok 4159
193: ok 4160
193: ok 4161
193: ok 4162
193: ok 4163
193: ok 4164
193: ok 4165
193: ok 4166
193: ok 4167
193: ok 4168
193: ok 4169
193: ok 4170
193: ok 4171
193: ok 4172
193: ok 4173
193: ok 4174
193: ok 4175
193: ok 4176
193: ok 4177
193: ok 4178
193: ok 4179
193: ok 4180
193: ok 4181
193: ok 4182
193: ok 4183
193: ok 4184
193: ok 4185
193: ok 4186
193: ok 4187
193: ok 4188
193: ok 4189
193: ok 4190
193: ok 4191
193: ok 4192
193: ok 4193
193: ok 4194
193: ok 4195
193: ok 4196
193: ok 4197
193: ok 4198
193: ok 4199
193: ok 4200
193: ok 4201
193: ok 4202
193: ok 4203
193: ok 4204
193: ok 4205
193: ok 4206
193: ok 4207
193: ok 4208
193: ok 4209
193: ok 4210
193: ok 4211
193: ok 4212
193: ok 4213
193: ok 4214
193: ok 4215
193: ok 4216
193: ok 4217
193: ok 4218
193: ok 4219
193: ok 4220
193: ok 4221
193: ok 4222
193: ok 4223
193: ok 4224
193: ok 4225
193: ok 4226
193: ok 4227
193: ok 4228
193: ok 4229
193: ok 4230
193: ok 4231
193: ok 4232
193: ok 4233
193: ok 4234
193: ok 4235
193: ok 4236
193: ok 4237
193: ok 4238
193: ok 4239
193: ok 4240
193: ok 4241
193: ok 4242
193: ok 4243
193: ok 4244
193: ok 4245
193: ok 4246
193: ok 4247
193: ok 4248
193: ok 4249
193: ok 4250
193: ok 4251
193: ok 4252
193: ok 4253
193: ok 4254
193: ok 4255
193: ok 4256
193: ok 4257
193: ok 4258
193: ok 4259
193: ok 4260
193: ok 4261
193: ok 4262
193: ok 4263
193: ok 4264
193: ok 4265
193: ok 4266
193: ok 4267
193: ok 4268
193: ok 4269
193: ok 4270
193: ok 4271
193: ok 4272
193: ok 4273
193: ok 4274
193: ok 4275
193: ok 4276
193: ok 4277
193: ok 4278
193: ok 4279
193: ok 4280
193: ok 4281
193: ok 4282
193: ok 4283
193: ok 4284
193: ok 4285
193: ok 4286
193: ok 4287
193: ok 4288
193: ok 4289
193: ok 4290
193: ok 4291
193: ok 4292
193: ok 4293
193: ok 4294
193: ok 4295
193: ok 4296
193: ok 4297
193: ok 4298
193: ok 4299
193: ok 4300
193: ok 4301
193: ok 4302
193: ok 4303
193: ok 4304
193: ok 4305
193: ok 4306
193: ok 4307
193: ok 4308
193: ok 4309
193: ok 4310
193: ok 4311
193: ok 4312
193: ok 4313
193: ok 4314
193: ok 4315
193: ok 4316
193: ok 4317
193: ok 4318
193: ok 4319
193: ok 4320
193: ok 4321
193: ok 4322
193: ok 4323
193: ok 4324
193: ok 4325
193: ok 4326
193: ok 4327
193: ok 4328
193: ok 4329
193: ok 4330
193: ok 4331
193: ok 4332
193: ok 4333
193: ok 4334
193: ok 4335
193: ok 4336
193: ok 4337
193: ok 4338
193: ok 4339
193: ok 4340
193: ok 4341
193: ok 4342
193: ok 4343
193: ok 4344
193: ok 4345
193: ok 4346
193: ok 4347
193: ok 4348
193: ok 4349
193: ok 4350
193: ok 4351
193: ok 4352
193: ok 4353
193: ok 4354
193: ok 4355
193: ok 4356
193: ok 4357
193: ok 4358
193: ok 4359
193: ok 4360
193: ok 4361
193: ok 4362
193: ok 4363
193: ok 4364
193: ok 4365
193: ok 4366
193: ok 4367
193: ok 4368
193: ok 4369
193: ok 4370
193: ok 4371
193: ok 4372
193: ok 4373
193: ok 4374
193: ok 4375
193: ok 4376
193: ok 4377
193: ok 4378
193: ok 4379
193: ok 4380
193: ok 4381
193: ok 4382
193: ok 4383
193: ok 4384
193: ok 4385
193: ok 4386
193: ok 4387
193: ok 4388
193: ok 4389
193: ok 4390
193: ok 4391
193: ok 4392
193: ok 4393
193: ok 4394
193: ok 4395
193: ok 4396
193: ok 4397
193: ok 4398
193: ok 4399
193: ok 4400
193: ok 4401
193: ok 4402
193: ok 4403
193: ok 4404
193: ok 4405
193: ok 4406
193: ok 4407
193: ok 4408
193: ok 4409
193: ok 4410
193: ok 4411
193: ok 4412
193: ok 4413
193: ok 4414
193: ok 4415
193: ok 4416
193: ok 4417
193: ok 4418
193: ok 4419
193: ok 4420
193: ok 4421
193: ok 4422
193: ok 4423
193: ok 4424
193: ok 4425
193: ok 4426
193: ok 4427
193: ok 4428
193: ok 4429
193: ok 4430
193: ok 4431
193: ok 4432
193: ok 4433
193: ok 4434
193: ok 4435
193: ok 4436
193: ok 4437
193: ok 4438
193: ok 4439
193: ok 4440
193: ok 4441
193: ok 4442
193: ok 4443
193: ok 4444
193: ok 4445
193: ok 4446
193: ok 4447
193: ok 4448
193: ok 4449
193: ok 4450
193: ok 4451
193: ok 4452
193: ok 4453
193: ok 4454
193: ok 4455
193: ok 4456
193: ok 4457
193: ok 4458
193: ok 4459
193: ok 4460
193: ok 4461
193: ok 4462
193: ok 4463
193: ok 4464
193: ok 4465
193: ok 4466
193: ok 4467
193: ok 4468
193: ok 4469
193: ok 4470
193: ok 4471
193: ok 4472
193: ok 4473
193: ok 4474
193: ok 4475
193: ok 4476
193: ok 4477
193: ok 4478
193: ok 4479
193: ok 4480
193: ok 4481
193: ok 4482
193: ok 4483
193: ok 4484
193: ok 4485
193: ok 4486
193: ok 4487
193: ok 4488
193: ok 4489
193: ok 4490
193: ok 4491
193: ok 4492
193: ok 4493
193: ok 4494
193: ok 4495
193: ok 4496
193: ok 4497
193: ok 4498
193: ok 4499
193: ok 4500
193: ok 4501
193: ok 4502
193: ok 4503
193: ok 4504
193: ok 4505
193: ok 4506
193: ok 4507
193: ok 4508
193: ok 4509
193: ok 4510
193: ok 4511
193: ok 4512
193: ok 4513
193: ok 4514
193: ok 4515
193: ok 4516
193: ok 4517
193: ok 4518
193: ok 4519
193: ok 4520
193: ok 4521
193: ok 4522
193: ok 4523
193: ok 4524
193: ok 4525
193: ok 4526
193: ok 4527
193: ok 4528
193: ok 4529
193: ok 4530
193: ok 4531
193: ok 4532
193: ok 4533
193: ok 4534
193: ok 4535
193: ok 4536
193: ok 4537
193: ok 4538
193: ok 4539
193: ok 4540
193: ok 4541
193: ok 4542
193: ok 4543
193: ok 4544
193: ok 4545
193: ok 4546
193: ok 4547
193: ok 4548
193: ok 4549
193: ok 4550
193: ok 4551
193: ok 4552
193: ok 4553
193: ok 4554
193: ok 4555
193: ok 4556
193: ok 4557
193: ok 4558
193: ok 4559
193: ok 4560
193: ok 4561
193: ok 4562
193: ok 4563
193: ok 4564
193: ok 4565
193: ok 4566
193: ok 4567
193: ok 4568
193: ok 4569
193: ok 4570
193: ok 4571
193: ok 4572
193: ok 4573
193: ok 4574
193: ok 4575
193: ok 4576
193: ok 4577
193: ok 4578
193: ok 4579
193: ok 4580
193: ok 4581
193: ok 4582
193: ok 4583
193: ok 4584
193: ok 4585
193: ok 4586
193: ok 4587
193: ok 4588
193: ok 4589
193: ok 4590
193: ok 4591
193: ok 4592
193: ok 4593
193: ok 4594
193: ok 4595
193: ok 4596
193: ok 4597
193: ok 4598
193: ok 4599
193: ok 4600
193: ok 4601
193: ok 4602
193: ok 4603
193: ok 4604
193: ok 4605
193: ok 4606
193: ok 4607
193: ok 4608
193: ok 4609
193: ok 4610
193: ok 4611
193: ok 4612
193: ok 4613
193: ok 4614
193: ok 4615
193: ok 4616
193: ok 4617
193: ok 4618
193: ok 4619
193: ok 4620
193: ok 4621
193: ok 4622
193: ok 4623
193: ok 4624
193: ok 4625
193: ok 4626
193: ok 4627
193: ok 4628
193: ok 4629
193: ok 4630
193: ok 4631
193: ok 4632
193: ok 4633
193: ok 4634
193: ok 4635
193: ok 4636
193: ok 4637
193: ok 4638
193: ok 4639
193: ok 4640
193: ok 4641
193: ok 4642
193: ok 4643
193: ok 4644
193: ok 4645
193: ok 4646
193: ok 4647
193: ok 4648
193: ok 4649
193: ok 4650
193: ok 4651
193: ok 4652
193: ok 4653
193: ok 4654
193: ok 4655
193: ok 4656
193: ok 4657
193: ok 4658
193: ok 4659
193: ok 4660
193: ok 4661
193: ok 4662
193: ok 4663
193: ok 4664
193: ok 4665
193: ok 4666
193: ok 4667
193: ok 4668
193: ok 4669
193: ok 4670
193: ok 4671
193: ok 4672
193: ok 4673
193: ok 4674
193: ok 4675
193: ok 4676
193: ok 4677
193: ok 4678
193: ok 4679
193: ok 4680
193: ok 4681
193: ok 4682
193: ok 4683
193: ok 4684
193: ok 4685
193: ok 4686
193: ok 4687
193: ok 4688
193: ok 4689
193: ok 4690
193: ok 4691
193: ok 4692
193: ok 4693
193: ok 4694
193: ok 4695
193: ok 4696
193: ok 4697
193: ok 4698
193: ok 4699
193: ok 4700
193: ok 4701
193: ok 4702
193: ok 4703
193: ok 4704
193: ok 4705
193: ok 4706
193: ok 4707
193: ok 4708
193: ok 4709
193: ok 4710
193: ok 4711
193: ok 4712
193: ok 4713
193: ok 4714
193: ok 4715
193: ok 4716
193: ok 4717
193: ok 4718
193: ok 4719
193: ok 4720
193: ok 4721
193: ok 4722
193: ok 4723
193: ok 4724
193: ok 4725
193: ok 4726
193: ok 4727
193: ok 4728
193: ok 4729
193: ok 4730
193: ok 4731
193: ok 4732
193: ok 4733
193: ok 4734
193: ok 4735
193: ok 4736
193: ok 4737
193: ok 4738
193: ok 4739
193: ok 4740
193: ok 4741
193: ok 4742
193: ok 4743
193: ok 4744
193: ok 4745
193: ok 4746
193: ok 4747
193: ok 4748
193: ok 4749
193: ok 4750
193: ok 4751
193: ok 4752
193: ok 4753
193: ok 4754
193: ok 4755
193: ok 4756
193: ok 4757
193: ok 4758
193: ok 4759
193: ok 4760
193: ok 4761
193: ok 4762
193: ok 4763
193: ok 4764
193: ok 4765
193: ok 4766
193: ok 4767
193: ok 4768
193: ok 4769
193: ok 4770
193: ok 4771
193: ok 4772
193: ok 4773
193: ok 4774
193: ok 4775
193: ok 4776
193: ok 4777
193: ok 4778
193: ok 4779
193: ok 4780
193: ok 4781
193: ok 4782
193: ok 4783
193: ok 4784
193: ok 4785
193: ok 4786
193: ok 4787
193: ok 4788
193: ok 4789
193: ok 4790
193: ok 4791
193: ok 4792
193: ok 4793
193: ok 4794
193: ok 4795
193: ok 4796
193: ok 4797
193: ok 4798
193: ok 4799
193: ok 4800
193: ok 4801
193: ok 4802
193: ok 4803
193: ok 4804
193: ok 4805
193: ok 4806
193: ok 4807
193: ok 4808
193: ok 4809
193: ok 4810
193: ok 4811
193: ok 4812
193: ok 4813
193: ok 4814
193: ok 4815
193: ok 4816
193: ok 4817
193: ok 4818
193: ok 4819
193: ok 4820
193: ok 4821
193: ok 4822
193: ok 4823
193: ok 4824
193: ok 4825
193: ok 4826
193: ok 4827
193: ok 4828
193: ok 4829
193: ok 4830
193: ok 4831
193: ok 4832
193: ok 4833
193: ok 4834
193: ok 4835
193: ok 4836
193: ok 4837
193: ok 4838
193: ok 4839
193: ok 4840
193: ok 4841
193: ok 4842
193: ok 4843
193: ok 4844
193: ok 4845
193: ok 4846
193: ok 4847
193: ok 4848
193: ok 4849
193: ok 4850
193: ok 4851
193: ok 4852
193: ok 4853
193: ok 4854
193: ok 4855
193: ok 4856
193: ok 4857
193: ok 4858
193: ok 4859
193: ok 4860
193: ok 4861
193: ok 4862
193: ok 4863
193: ok 4864
193: ok 4865
193: ok 4866
193: ok 4867
193: ok 4868
193: ok 4869
193: ok 4870
193: ok 4871
193: ok 4872
193: ok 4873
193: ok 4874
193: ok 4875
193: ok 4876
193: ok 4877
193: ok 4878
193: ok 4879
193: ok 4880
193: ok 4881
193: ok 4882
193: ok 4883
193: ok 4884
193: ok 4885
193: ok 4886
193: ok 4887
193: ok 4888
193: ok 4889
193: ok 4890
193: ok 4891
193: ok 4892
193: ok 4893
193: ok 4894
193: ok 4895
193: ok 4896
193: ok 4897
193: ok 4898
193: ok 4899
193: ok 4900
193: ok 4901
193: ok 4902
193: ok 4903
193: ok 4904
193: ok 4905
193: ok 4906
193: ok 4907
193: ok 4908
193: ok 4909
193: ok 4910
193: ok 4911
193: ok 4912
193: ok 4913
193: ok 4914
193: ok 4915
193: ok 4916
193: ok 4917
193: ok 4918
193: ok 4919
193: ok 4920
193: ok 4921
193: ok 4922
193: ok 4923
193: ok 4924
193: ok 4925
193: ok 4926
193: ok 4927
193: ok 4928
193: ok 4929
193: ok 4930
193: ok 4931
193: ok 4932
193: ok 4933
193: ok 4934
193: ok 4935
193: ok 4936
193: ok 4937
193: ok 4938
193: ok 4939
193: ok 4940
193: ok 4941
193: ok 4942
193: ok 4943
193: ok 4944
193: ok 4945
193: ok 4946
193: ok 4947
193: ok 4948
193: ok 4949
193: ok 4950
193: ok 4951
193: ok 4952
193: ok 4953
193: ok 4954
193: ok 4955
193: ok 4956
193: ok 4957
193: ok 4958
193: ok 4959
193: ok 4960
193: ok 4961
193: ok 4962
193: ok 4963
193: ok 4964
193: ok 4965
193: ok 4966
193: ok 4967
193: ok 4968
193: ok 4969
193: ok 4970
193: ok 4971
193: ok 4972
193: ok 4973
193: ok 4974
193: ok 4975
193: ok 4976
193: ok 4977
193: ok 4978
193: ok 4979
193: ok 4980
193: ok 4981
193: ok 4982
193: ok 4983
193: ok 4984
193: ok 4985
193: ok 4986
193: ok 4987
193: ok 4988
193: ok 4989
193: ok 4990
193: ok 4991
193: ok 4992
193: ok 4993
193: ok 4994
193: ok 4995
193: ok 4996
193: ok 4997
193: ok 4998
193: ok 4999
193: ok 5000
193: ok 5001
193: ok 5002
193: ok 5003
193: ok 5004
193: ok 5005
193: ok 5006
193: ok 5007
193: ok 5008
193: ok 5009
193: ok 5010
193: ok 5011
193: ok 5012
193: ok 5013
193: ok 5014
193: ok 5015
193: ok 5016
193: ok 5017
193: ok 5018
193: ok 5019
193: ok 5020
193: ok 5021
193: ok 5022
193: ok 5023
193: ok 5024
193: ok 5025
193: ok 5026
193: ok 5027
193: ok 5028
193: ok 5029
193: ok 5030
193: ok 5031
193: ok 5032
193: ok 5033
193: ok 5034
193: ok 5035
193: ok 5036
193: ok 5037
193: ok 5038
193: ok 5039
193: ok 5040
193: ok 5041
193: ok 5042
193: ok 5043
193: ok 5044
193: ok 5045
193: ok 5046
193: ok 5047
193: ok 5048
193: ok 5049
193: ok 5050
193: ok 5051
193: ok 5052
193: ok 5053
193: ok 5054
193: ok 5055
193: ok 5056
193: ok 5057
193: ok 5058
193: ok 5059
193: ok 5060
193: ok 5061
193: ok 5062
193: ok 5063
193: ok 5064
193: ok 5065
193: ok 5066
193: ok 5067
193: ok 5068
193: ok 5069
193: ok 5070
193: ok 5071
193: ok 5072
193: ok 5073
193: ok 5074
193: ok 5075
193: ok 5076
193: ok 5077
193: ok 5078
193: ok 5079
193: ok 5080
193: ok 5081
193: ok 5082
193: ok 5083
193: ok 5084
193: ok 5085
193: ok 5086
193: ok 5087
193: ok 5088
193: ok 5089
193: ok 5090
193: ok 5091
193: ok 5092
193: ok 5093
193: ok 5094
193: ok 5095
193: ok 5096
193: ok 5097
193: ok 5098
193: ok 5099
193: ok 5100
193: ok 5101
193: ok 5102
193: ok 5103
193: ok 5104
193: ok 5105
193: ok 5106
193: ok 5107
193: ok 5108
193: ok 5109
193: ok 5110
193: ok 5111
193: ok 5112
193: ok 5113
193: ok 5114
193: ok 5115
193: ok 5116
193: ok 5117
193: ok 5118
193: ok 5119
193: ok 5120
193: ok 5121
193: ok 5122
193: ok 5123
193: ok 5124
193: ok 5125
193: ok 5126
193: ok 5127
193: ok 5128
193: ok 5129
193: ok 5130
193: ok 5131
193: ok 5132
193: ok 5133
193: ok 5134
193: ok 5135
193: ok 5136
193: ok 5137
193: ok 5138
193: ok 5139
193: ok 5140
193: ok 5141
193: ok 5142
193: ok 5143
193: ok 5144
193: ok 5145
193: ok 5146
193: ok 5147
193: ok 5148
193: ok 5149
193: ok 5150
193: ok 5151
193: ok 5152
193: ok 5153
193: ok 5154
193: ok 5155
193: ok 5156
193: ok 5157
193: ok 5158
193: ok 5159
193: ok 5160
193: ok 5161
193: ok 5162
193: ok 5163
193: ok 5164
193: ok 5165
193: ok 5166
193: ok 5167
193: ok 5168
193: ok 5169
193: ok 5170
193: ok 5171
193: ok 5172
193: ok 5173
193: ok 5174
193: ok 5175
193: ok 5176
193: ok 5177
193: ok 5178
193: ok 5179
193: ok 5180
193: ok 5181
193: ok 5182
193: ok 5183
193: ok 5184
193: ok 5185
193: ok 5186
193: ok 5187
193: ok 5188
193: ok 5189
193: ok 5190
193: ok 5191
193: ok 5192
193: ok 5193
193: ok 5194
193: ok 5195
193: ok 5196
193: ok 5197
193: ok 5198
193: ok 5199
193: ok 5200
193: ok 5201
193: ok 5202
193: ok 5203
193: ok 5204
193: ok 5205
193: ok 5206
193: ok 5207
193: ok 5208
193: ok 5209
193: ok 5210
193: ok 5211
193: ok 5212
193: ok 5213
193: ok 5214
193: ok 5215
193: ok 5216
193: ok 5217
193: ok 5218
193: ok 5219
193: ok 5220
193: ok 5221
193: ok 5222
193: ok 5223
193: ok 5224
193: ok 5225
193: ok 5226
193: ok 5227
193: ok 5228
193: ok 5229
193: ok 5230
193: ok 5231
193: ok 5232
193: ok 5233
193: ok 5234
193: ok 5235
193: ok 5236
193: ok 5237
193: ok 5238
193: ok 5239
193: ok 5240
193: ok 5241
193: ok 5242
193: ok 5243
193: ok 5244
193: ok 5245
193: ok 5246
193: ok 5247
193: ok 5248
193: ok 5249
193: ok 5250
193: ok 5251
193: ok 5252
193: ok 5253
193: ok 5254
193: ok 5255
193: ok 5256
193: ok 5257
193: ok 5258
193: ok 5259
193: ok 5260
193: ok 5261
193: ok 5262
193: ok 5263
193: ok 5264
193: ok 5265
193: ok 5266
193: ok 5267
193: ok 5268
193: ok 5269
193: ok 5270
193: ok 5271
193: ok 5272
193: ok 5273
193: ok 5274
193: ok 5275
193: ok 5276
193: ok 5277
193: ok 5278
193: ok 5279
193: ok 5280
193: ok 5281
193: ok 5282
193: ok 5283
193: ok 5284
193: ok 5285
193: ok 5286
193: ok 5287
193: ok 5288
193: ok 5289
193: ok 5290
193: ok 5291
193: ok 5292
193: ok 5293
193: ok 5294
193: ok 5295
193: ok 5296
193: ok 5297
193: ok 5298
193: ok 5299
193: ok 5300
193: ok 5301
193: ok 5302
193: ok 5303
193: ok 5304
193: ok 5305
193: ok 5306
193: ok 5307
193: ok 5308
193: ok 5309
193: ok 5310
193: ok 5311
193: ok 5312
193: ok 5313
193: ok 5314
193: ok 5315
193: ok 5316
193: ok 5317
193: ok 5318
193: ok 5319
193: ok 5320
193: ok 5321
193: ok 5322
193: ok 5323
193: ok 5324
193: ok 5325
193: ok 5326
193: ok 5327
193: ok 5328
193: ok 5329
193: ok 5330
193: ok 5331
193: ok 5332
193: ok 5333
193: ok 5334
193: ok 5335
193: ok 5336
193: ok 5337
193: ok 5338
193: ok 5339
193: ok 5340
193: ok 5341
193: ok 5342
193: ok 5343
193: ok 5344
193: ok 5345
193: ok 5346
193: ok 5347
193: ok 5348
193: ok 5349
193: ok 5350
193: ok 5351
193: ok 5352
193: ok 5353
193: ok 5354
193: ok 5355
193: ok 5356
193: ok 5357
193: ok 5358
193: ok 5359
193: ok 5360
193: ok 5361
193: ok 5362
193: ok 5363
193: ok 5364
193: ok 5365
193: ok 5366
193: ok 5367
193: ok 5368
193: ok 5369
193: ok 5370
193: ok 5371
193: ok 5372
193: ok 5373
193: ok 5374
193: ok 5375
193: ok 5376
193: ok 5377
193: ok 5378
193: ok 5379
193: ok 5380
193: ok 5381
193: ok 5382
193: ok 5383
193: ok 5384
193: ok 5385
193: ok 5386
193: ok 5387
193: ok 5388
193: ok 5389
193: ok 5390
193: ok 5391
193: ok 5392
193: ok 5393
193: ok 5394
193: ok 5395
193: ok 5396
193: ok 5397
193: ok 5398
193: ok 5399
193: ok 5400
193: ok 5401
193: ok 5402
193: ok 5403
193: ok 5404
193: ok 5405
193: ok 5406
193: ok 5407
193: ok 5408
193: ok 5409
193: ok 5410
193: ok 5411
193: ok 5412
193: ok 5413
193: ok 5414
193: ok 5415
193: ok 5416
193: ok 5417
193: ok 5418
193: ok 5419
193: ok 5420
193: ok 5421
193: ok 5422
193: ok 5423
193: ok 5424
193: ok 5425
193: ok 5426
193: ok 5427
193: ok 5428
193: ok 5429
193: ok 5430
193: ok 5431
193: ok 5432
193: ok 5433
193: ok 5434
193: ok 5435
193: ok 5436
193: ok 5437
193: ok 5438
193: ok 5439
193: ok 5440
193: ok 5441
193: ok 5442
193: ok 5443
193: ok 5444
193: ok 5445
193: ok 5446
193: ok 5447
193: ok 5448
193: ok 5449
193: ok 5450
193: ok 5451
193: ok 5452
193: ok 5453
193: ok 5454
193: ok 5455
193: ok 5456
193: ok 5457
193: ok 5458
193: ok 5459
193: ok 5460
193: ok 5461
193: ok 5462
193: ok 5463
193: ok 5464
193: ok 5465
193: ok 5466
193: ok 5467
193: ok 5468
193: ok 5469
193: ok 5470
193: ok 5471
193: ok 5472
193: ok 5473
193: ok 5474
193: ok 5475
193: ok 5476
193: ok 5477
193: ok 5478
193: ok 5479
193: ok 5480
193: ok 5481
193: ok 5482
193: ok 5483
193: ok 5484
193: ok 5485
193: ok 5486
193: ok 5487
193: ok 5488
193: ok 5489
193: ok 5490
193: ok 5491
193: ok 5492
193: ok 5493
193: ok 5494
193: ok 5495
193: ok 5496
193: ok 5497
193: ok 5498
193: ok 5499
193: ok 5500
193: ok 5501
193: ok 5502
193: ok 5503
193: ok 5504
193: ok 5505
193: ok 5506
193: ok 5507
193: ok 5508
193: ok 5509
193: ok 5510
193: ok 5511
193: ok 5512
193: ok 5513
193: ok 5514
193: ok 5515
193: ok 5516
193: ok 5517
193: ok 5518
193: ok 5519
193: ok 5520
193: ok 5521
193: ok 5522
193: ok 5523
193: ok 5524
193: ok 5525
193: ok 5526
193: ok 5527
193: ok 5528
193: ok 5529
193: ok 5530
193: ok 5531
193: ok 5532
193: ok 5533
193: ok 5534
193: ok 5535
193: ok 5536
193: ok 5537
193: ok 5538
193: ok 5539
193: ok 5540
193: ok 5541
193: ok 5542
193: ok 5543
193: ok 5544
193: ok 5545
193: ok 5546
193: ok 5547
193: ok 5548
193: ok 5549
193: ok 5550
193: ok 5551
193: ok 5552
193: ok 5553
193: ok 5554
193: ok 5555
193: ok 5556
193: ok 5557
193: ok 5558
193: ok 5559
193: ok 5560
193: ok 5561
193: ok 5562
193: ok 5563
193: ok 5564
193: ok 5565
193: ok 5566
193: ok 5567
193: ok 5568
193: ok 5569
193: ok 5570
193: ok 5571
193: ok 5572
193: ok 5573
193: ok 5574
193: ok 5575
193: ok 5576
193: ok 5577
193: ok 5578
193: ok 5579
193: ok 5580
193: ok 5581
193: ok 5582
193: ok 5583
193: ok 5584
193: ok 5585
193: ok 5586
193: ok 5587
193: ok 5588
193: ok 5589
193: ok 5590
193: ok 5591
193: ok 5592
193: ok 5593
193: ok 5594
193: ok 5595
193: ok 5596
193: ok 5597
193: ok 5598
193: ok 5599
193: ok 5600
193: ok 5601
193: ok 5602
193: ok 5603
193: ok 5604
193: ok 5605
193: ok 5606
193: ok 5607
193: ok 5608
193: ok 5609
193: ok 5610
193: ok 5611
193: ok 5612
193: ok 5613
193: ok 5614
193: ok 5615
193: ok 5616
193: ok 5617
193: ok 5618
193: ok 5619
193: ok 5620
193: ok 5621
193: ok 5622
193: ok 5623
193: ok 5624
193: ok 5625
193: ok 5626
193: ok 5627
193: ok 5628
193: ok 5629
193: ok 5630
193: ok 5631
193: ok 5632
193: ok 5633
193: ok 5634
193: ok 5635
193: ok 5636
193: ok 5637
193: ok 5638
193: ok 5639
193: ok 5640
193: ok 5641
193: ok 5642
193: ok 5643
193: ok 5644
193: ok 5645
193: ok 5646
193: ok 5647
193: ok 5648
193: ok 5649
193: ok 5650
193: ok 5651
193: ok 5652
193: ok 5653
193: ok 5654
193: ok 5655
193: ok 5656
193: ok 5657
193: ok 5658
193: ok 5659
193: ok 5660
193: ok 5661
193: ok 5662
193: ok 5663
193: ok 5664
193: ok 5665
193: ok 5666
193: ok 5667
193: ok 5668
193: ok 5669
193: ok 5670
193: ok 5671
193: ok 5672
193: ok 5673
193: ok 5674
193: ok 5675
193: ok 5676
193: ok 5677
193: ok 5678
193: ok 5679
193: ok 5680
193: ok 5681
193: ok 5682
193: ok 5683
193: ok 5684
193: ok 5685
193: ok 5686
193: ok 5687
193: ok 5688
193: ok 5689
193: ok 5690
193: ok 5691
193: ok 5692
193: ok 5693
193: ok 5694
193: ok 5695
193: ok 5696
193: ok 5697
193: ok 5698
193: ok 5699
193: ok 5700
193: ok 5701
193: ok 5702
193: ok 5703
193: ok 5704
193: ok 5705
193: ok 5706
193: ok 5707
193: ok 5708
193: ok 5709
193: ok 5710
193: ok 5711
193: ok 5712
193: ok 5713
193: ok 5714
193: ok 5715
193: ok 5716
193: ok 5717
193: ok 5718
193: ok 5719
193: ok 5720
193: ok 5721
193: ok 5722
193: ok 5723
193: ok 5724
193: ok 5725
193: ok 5726
193: ok 5727
193: ok 5728
193: ok 5729
193: ok 5730
193: ok 5731
193: ok 5732
193: ok 5733
193: ok 5734
193: ok 5735
193: ok 5736
193: ok 5737
193: ok 5738
193: ok 5739
193: ok 5740
193: ok 5741
193: ok 5742
193: ok 5743
193: ok 5744
193: ok 5745
193: ok 5746
193: ok 5747
193: ok 5748
193: ok 5749
193: ok 5750
193: ok 5751
193: ok 5752
193: ok 5753
193: ok 5754
193: ok 5755
193: ok 5756
193: ok 5757
193: ok 5758
193: ok 5759
193: ok 5760
193: ok 5761
193: ok 5762
193: ok 5763
193: ok 5764
193: ok 5765
193: ok 5766
193: ok 5767
193: ok 5768
193: ok 5769
193: ok 5770
193: ok 5771
193: ok 5772
193: ok 5773
193: ok 5774
193: ok 5775
193: ok 5776
193: ok 5777
193: ok 5778
193: ok 5779
193: ok 5780
193: ok 5781
193: ok 5782
193: ok 5783
193: ok 5784
193: ok 5785
193: ok 5786
193: ok 5787
193: ok 5788
193: ok 5789
193: ok 5790
193: ok 5791
193: ok 5792
193: ok 5793
193: ok 5794
193: ok 5795
193: ok 5796
193: ok 5797
193: ok 5798
193: ok 5799
193: ok 5800
193: ok 5801
193: ok 5802
193: ok 5803
193: ok 5804
193: ok 5805
193: ok 5806
193: ok 5807
193: ok 5808
193: ok 5809
193: ok 5810
193: ok 5811
193: ok 5812
193: ok 5813
193: ok 5814
193: ok 5815
193: ok 5816
193: ok 5817
193: ok 5818
193: ok 5819
193: ok 5820
193: ok 5821
193: ok 5822
193: ok 5823
193: ok 5824
193: ok 5825
193: ok 5826
193: ok 5827
193: ok 5828
193: ok 5829
193: ok 5830
193: ok 5831
193: ok 5832
193: ok 5833
193: ok 5834
193: ok 5835
193: ok 5836
193: ok 5837
193: ok 5838
193: ok 5839
193: ok 5840
193: ok 5841
193: ok 5842
193: ok 5843
193: ok 5844
193: ok 5845
193: ok 5846
193: ok 5847
193: ok 5848
193: ok 5849
193: ok 5850
193: ok 5851
193: ok 5852
193: ok 5853
193: ok 5854
193: ok 5855
193: ok 5856
193: ok 5857
193: ok 5858
193: ok 5859
193: ok 5860
193: ok 5861
193: ok 5862
193: ok 5863
193: ok 5864
193: ok 5865
193: ok 5866
193: ok 5867
193: ok 5868
193: ok 5869
193: ok 5870
193: ok 5871
193: ok 5872
193: ok 5873
193: ok 5874
193: ok 5875
193: ok 5876
193: ok 5877
193: ok 5878
193: ok 5879
193: ok 5880
193: ok 5881
193: ok 5882
193: ok 5883
193: ok 5884
193: ok 5885
193: ok 5886
193: ok 5887
193: ok 5888
193: ok 5889
193: ok 5890
193: ok 5891
193: ok 5892
193: ok 5893
193: ok 5894
193: ok 5895
193: ok 5896
193: ok 5897
193: ok 5898
193: ok 5899
193: ok 5900
193: ok 5901
193: ok 5902
193: ok 5903
193: ok 5904
193: ok 5905
193: ok 5906
193: ok 5907
193: ok 5908
193: ok 5909
193: ok 5910
193: ok 5911
193: ok 5912
193: ok 5913
193: ok 5914
193: ok 5915
193: ok 5916
193: ok 5917
193: ok 5918
193: ok 5919
193: ok 5920
193: ok 5921
193: ok 5922
193: ok 5923
193: ok 5924
193: ok 5925
193: ok 5926
193: ok 5927
193: ok 5928
193: ok 5929
193: ok 5930
193: ok 5931
193: ok 5932
193: ok 5933
193: ok 5934
193: ok 5935
193: ok 5936
193: ok 5937
193: ok 5938
193: ok 5939
193: ok 5940
193: ok 5941
193: ok 5942
193: ok 5943
193: ok 5944
193: ok 5945
193: ok 5946
193: ok 5947
193: ok 5948
193: ok 5949
193: ok 5950
193: ok 5951
193: ok 5952
193: ok 5953
193: ok 5954
193: ok 5955
193: ok 5956
193: ok 5957
193: ok 5958
193: ok 5959
193: ok 5960
193: ok 5961
193: ok 5962
193: ok 5963
193: ok 5964
193: ok 5965
193: ok 5966
193: ok 5967
193: ok 5968
193: ok 5969
193: ok 5970
193: ok 5971
193: ok 5972
193: ok 5973
193: ok 5974
193: ok 5975
193: ok 5976
193: ok 5977
193: ok 5978
193: ok 5979
193: ok 5980
193: ok 5981
193: ok 5982
193: ok 5983
193: ok 5984
193: ok 5985
193: ok 5986
193: ok 5987
193: ok 5988
193: ok 5989
193: ok 5990
193: ok 5991
193: ok 5992
193: ok 5993
193: ok 5994
193: ok 5995
193: ok 5996
193: ok 5997
193: ok 5998
193: ok 5999
193: ok 6000
193: ok 6001
193: ok 6002
193: ok 6003
193: ok 6004
193: ok 6005
193: ok 6006
193: ok 6007
193: ok 6008
193: ok 6009
193: ok 6010
193: ok 6011
193: ok 6012
193: ok 6013
193: ok 6014
193: ok 6015
193: ok 6016
193: ok 6017
193: ok 6018
193: ok 6019
193: ok 6020
193: ok 6021
193: ok 6022
193: ok 6023
193: ok 6024
193: ok 6025
193: ok 6026
193: ok 6027
193: ok 6028
193: ok 6029
193: ok 6030
193: ok 6031
193: ok 6032
193: ok 6033
193: ok 6034
193: ok 6035
193: ok 6036
193: ok 6037
193: ok 6038
193: ok 6039
193: ok 6040
193: ok 6041
193: ok 6042
193: ok 6043
193: ok 6044
193: ok 6045
193: ok 6046
193: ok 6047
193: ok 6048
193: ok 6049
193: ok 6050
193: ok 6051
193: ok 6052
193: ok 6053
193: ok 6054
193: ok 6055
193: ok 6056
193: ok 6057
193: ok 6058
193: ok 6059
193: ok 6060
193: ok 6061
193: ok 6062
193: ok 6063
193: ok 6064
193: ok 6065
193: ok 6066
193: ok 6067
193: ok 6068
193: ok 6069
193: ok 6070
193: ok 6071
193: ok 6072
193: ok 6073
193: ok 6074
193: ok 6075
193: ok 6076
193: ok 6077
193: ok 6078
193: ok 6079
193: ok 6080
193: ok 6081
193: ok 6082
193: ok 6083
193: ok 6084
193: ok 6085
193: ok 6086
193: ok 6087
193: ok 6088
193: ok 6089
193: ok 6090
193: ok 6091
193: ok 6092
193: ok 6093
193: ok 6094
193: ok 6095
193: ok 6096
193: ok 6097
193: ok 6098
193: ok 6099
193: ok 6100
193: ok 6101
193: ok 6102
193: ok 6103
193: ok 6104
193: ok 6105
193: ok 6106
193: ok 6107
193: ok 6108
193: ok 6109
193: ok 6110
193: ok 6111
193: ok 6112
193: ok 6113
193: ok 6114
193: ok 6115
193: ok 6116
193: ok 6117
193: ok 6118
193: ok 6119
193: ok 6120
193: ok 6121
193: ok 6122
193: ok 6123
193: ok 6124
193: ok 6125
193: ok 6126
193: ok 6127
193: ok 6128
193: ok 6129
193: ok 6130
193: ok 6131
193: ok 6132
193: ok 6133
193: ok 6134
193: ok 6135
193: ok 6136
193: ok 6137
193: ok 6138
193: ok 6139
193: ok 6140
193: ok 6141
193: ok 6142
193: ok 6143
193: ok 6144
193: ok 6145
193: ok 6146
193: ok 6147
193: ok 6148
193: ok 6149
193: ok 6150
193: ok 6151
193: ok 6152
193: ok 6153
193: ok 6154
193: ok 6155
193: ok 6156
193: ok 6157
193: ok 6158
193: ok 6159
193: ok 6160
193: ok 6161
193: ok 6162
193: ok 6163
193: ok 6164
193: ok 6165
193: ok 6166
193: ok 6167
193: ok 6168
193: ok 6169
193: ok 6170
193: ok 6171
193: ok 6172
193: ok 6173
193: ok 6174
193: ok 6175
193: ok 6176
193: ok 6177
193: ok 6178
193: ok 6179
193: ok 6180
193: ok 6181
193: ok 6182
193: ok 6183
193: ok 6184
193: ok 6185
193: ok 6186
193: ok 6187
193: ok 6188
193: ok 6189
193: ok 6190
193: ok 6191
193: ok 6192
193: ok 6193
193: ok 6194
193: ok 6195
193: ok 6196
193: ok 6197
193: ok 6198
193: ok 6199
193: ok 6200
193: ok 6201
193: ok 6202
193: ok 6203
193: ok 6204
193: ok 6205
193: ok 6206
193: ok 6207
193: ok 6208
193: ok 6209
193: ok 6210
193: ok 6211
193: ok 6212
193: ok 6213
193: ok 6214
193: ok 6215
193: ok 6216
193: ok 6217
193: ok 6218
193: ok 6219
193: ok 6220
193: ok 6221
193: ok 6222
193: ok 6223
193: ok 6224
193: ok 6225
193: ok 6226
193: ok 6227
193: ok 6228
193: ok 6229
193: ok 6230
193: ok 6231
193: ok 6232
193: ok 6233
193: ok 6234
193: ok 6235
193: ok 6236
193: ok 6237
193: ok 6238
193: ok 6239
193: ok 6240
193: ok 6241
193: ok 6242
193: ok 6243
193: ok 6244
193: ok 6245
193: ok 6246
193: ok 6247
193: ok 6248
193: ok 6249
193: ok 6250
193: ok 6251
193: ok 6252
193: ok 6253
193: ok 6254
193: ok 6255
193: ok 6256
193: ok 6257
193: ok 6258
193: ok 6259
193: ok 6260
193: ok 6261
193: ok 6262
193: ok 6263
193: ok 6264
193: ok 6265
193: ok 6266
193: ok 6267
193: ok 6268
193: ok 6269
193: ok 6270
193: ok 6271
193: ok 6272
193: ok 6273
193: ok 6274
193: ok 6275
193: ok 6276
193: ok 6277
193: ok 6278
193: ok 6279
193: ok 6280
193: ok 6281
193: ok 6282
193: ok 6283
193: ok 6284
193: ok 6285
193: ok 6286
193: ok 6287
193: ok 6288
193: ok 6289
193: ok 6290
193: ok 6291
193: ok 6292
193: ok 6293
193: ok 6294
193: ok 6295
193: ok 6296
193: ok 6297
193: ok 6298
193: ok 6299
193: ok 6300
193: ok 6301
193: ok 6302
193: ok 6303
193: ok 6304
193: ok 6305
193: ok 6306
193: ok 6307
193: ok 6308
193: ok 6309
193: ok 6310
193: ok 6311
193: ok 6312
193: ok 6313
193: ok 6314
193: ok 6315
193: ok 6316
193: ok 6317
193: ok 6318
193: ok 6319
193: ok 6320
193: ok 6321
193: ok 6322
193: ok 6323
193: ok 6324
193: ok 6325
193: ok 6326
193: ok 6327
193: ok 6328
193: ok 6329
193: ok 6330
193: ok 6331
193: ok 6332
193: ok 6333
193: ok 6334
193: ok 6335
193: ok 6336
193: ok 6337
193: ok 6338
193: ok 6339
193: ok 6340
193: ok 6341
193: ok 6342
193: ok 6343
193: ok 6344
193: ok 6345
193: ok 6346
193: ok 6347
193: ok 6348
193: ok 6349
193: ok 6350
193: ok 6351
193: ok 6352
193: ok 6353
193: ok 6354
193: ok 6355
193: ok 6356
193: ok 6357
193: ok 6358
193: ok 6359
193: ok 6360
193: ok 6361
193: ok 6362
193: ok 6363
193: ok 6364
193: ok 6365
193: ok 6366
193: ok 6367
193: ok 6368
193: ok 6369
193: ok 6370
193: ok 6371
193: ok 6372
193: ok 6373
193: ok 6374
193: ok 6375
193: ok 6376
193: ok 6377
193: ok 6378
193: ok 6379
193: ok 6380
193: ok 6381
193: ok 6382
193: ok 6383
193: ok 6384
193: ok 6385
193: ok 6386
193: ok 6387
193: ok 6388
193: ok 6389
193: ok 6390
193: ok 6391
193: ok 6392
193: ok 6393
193: ok 6394
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193: ok 6396
193: ok 6397
193: ok 6398
193: ok 6399
193: ok 6400
193: ok 6401
193: ok 6402
193: ok 6403
193: ok 6404
193: ok 6405
193: ok 6406
193: ok 6407
193: ok 6408
193: ok 6409
193: ok 6410
193: ok 6411
193: ok 6412
193: ok 6413
193: ok 6414
193: ok 6415
193: ok 6416
193: ok 6417
193: ok 6418
193: ok 6419
193: ok 6420
193: ok 6421
193: ok 6422
193: ok 6423
193: ok 6424
193: ok 6425
193: ok 6426
193: ok 6427
193: ok 6428
193: ok 6429
193: ok 6430
193: ok 6431
193: ok 6432
193: ok 6433
193: ok 6434
193: ok 6435
193: ok 6436
193: ok 6437
193: ok 6438
193: ok 6439
193: ok 6440
193: ok 6441
193: ok 6442
193: ok 6443
193: ok 6444
193: ok 6445
193: ok 6446
193: ok 6447
193: ok 6448
193: ok 6449
193: ok 6450
193: ok 6451
193: ok 6452
193: ok 6453
193: ok 6454
193: ok 6455
193: ok 6456
193: ok 6457
193: ok 6458
193: ok 6459
193: ok 6460
193: ok 6461
193: ok 6462
193: ok 6463
193: ok 6464
193: ok 6465
193: ok 6466
193: ok 6467
193: ok 6468
193: ok 6469
193: ok 6470
193: ok 6471
193: ok 6472
193: ok 6473
193: ok 6474
193: ok 6475
193: ok 6476
193: ok 6477
193: ok 6478
193: ok 6479
193: ok 6480
193: ok 6481
193: ok 6482
193: ok 6483
193: ok 6484
193: ok 6485
193: ok 6486
193: ok 6487
193: ok 6488
193: ok 6489
193: ok 6490
193: ok 6491
193: ok 6492
193: ok 6493
193: ok 6494
193: ok 6495
193: ok 6496
193: ok 6497
193: ok 6498
193: ok 6499
193: ok 6500
193: ok 6501
193: ok 6502
193: ok 6503
193: ok 6504
193: ok 6505
193: ok 6506
193: ok 6507
193: ok 6508
193: ok 6509
193: ok 6510
193: ok 6511
193: ok 6512
193: ok 6513
193: ok 6514
193: ok 6515
193: ok 6516
193: ok 6517
193: ok 6518
193: ok 6519
193: ok 6520
193: ok 6521
193: ok 6522
193: ok 6523
193: ok 6524
193: ok 6525
193: ok 6526
193: ok 6527
193: ok 6528
193: ok 6529
193: ok 6530
193: ok 6531
193: ok 6532
193: ok 6533
193: ok 6534
193: ok 6535
193: ok 6536
193: ok 6537
193: ok 6538
193: ok 6539
193: ok 6540
193: ok 6541
193: ok 6542
193: ok 6543
193: ok 6544
193: ok 6545
193: ok 6546
193: ok 6547
193: ok 6548
193: ok 6549
193: ok 6550
193: ok 6551
193: ok 6552
193: ok 6553
193: ok 6554
193: ok 6555
193: ok 6556
193: ok 6557
193: ok 6558
193: ok 6559
193: ok 6560
193: ok 6561
193: ok 6562
193: ok 6563
193: ok 6564
193: ok 6565
193: ok 6566
193: ok 6567
193: ok 6568
193: ok 6569
193: ok 6570
193: ok 6571
193: ok 6572
193: ok 6573
193: ok 6574
193: ok 6575
193: ok 6576
193: ok 6577
193: ok 6578
193: ok 6579
193: ok 6580
193: ok 6581
193: ok 6582
193: ok 6583
193: ok 6584
193: ok 6585
193: ok 6586
193: ok 6587
193: ok 6588
193: ok 6589
193: ok 6590
193: ok 6591
193: ok 6592
193: ok 6593
193: ok 6594
193: ok 6595
193: ok 6596
193: ok 6597
193: ok 6598
193: ok 6599
193: ok 6600
193: ok 6601
193: ok 6602
193: ok 6603
193: ok 6604
193: ok 6605
193: ok 6606
193: ok 6607
193: ok 6608
193: ok 6609
193: ok 6610
193: ok 6611
193: ok 6612
193: ok 6613
193: ok 6614
193: ok 6615
193: ok 6616
193: ok 6617
193: ok 6618
193: ok 6619
193: ok 6620
193: ok 6621
193: ok 6622
193: ok 6623
193: ok 6624
193: ok 6625
193: ok 6626
193: ok 6627
193: ok 6628
193: ok 6629
193: ok 6630
193: ok 6631
193: ok 6632
193: ok 6633
193: ok 6634
193: ok 6635
193: ok 6636
193: ok 6637
193: ok 6638
193: ok 6639
193: ok 6640
193: ok 6641
193: ok 6642
193: ok 6643
193: ok 6644
193: ok 6645
193: ok 6646
193: ok 6647
193: ok 6648
193: ok 6649
193: ok 6650
193: ok 6651
193: ok 6652
193: ok 6653
193: ok 6654
193: ok 6655
193: ok 6656
193: ok 6657
193: ok 6658
193: ok 6659
193: ok 6660
193: ok 6661
193: ok 6662
193: ok 6663
193: ok 6664
193: ok 6665
193: ok 6666
193: ok 6667
193: ok 6668
193: ok 6669
193: ok 6670
193: ok 6671
193: ok 6672
193: ok 6673
193: ok 6674
193: ok 6675
193: ok 6676
193: ok 6677
193: ok 6678
193: ok 6679
193: ok 6680
193: ok 6681
193: ok 6682
193: ok 6683
193: ok 6684
193: ok 6685
193: ok 6686
193: ok 6687
193: ok 6688
193: ok 6689
193: ok 6690
193: ok 6691
193: ok 6692
193: ok 6693
193: ok 6694
193: ok 6695
193: ok 6696
193: ok 6697
193: ok 6698
193: ok 6699
193: ok 6700
193: ok 6701
193: ok 6702
193: ok 6703
193: ok 6704
193: ok 6705
193: ok 6706
193: ok 6707
193: ok 6708
193: ok 6709
193: ok 6710
193: ok 6711
193: ok 6712
193: ok 6713
193: ok 6714
193: ok 6715
193: ok 6716
193: ok 6717
193: ok 6718
193: ok 6719
193: ok 6720
193: ok 6721
193: ok 6722
193: ok 6723
193: ok 6724
193: ok 6725
193: ok 6726
193: ok 6727
193: ok 6728
193: ok 6729
193: ok 6730
193: ok 6731
193: ok 6732
193: ok 6733
193: ok 6734
193: ok 6735
193: ok 6736
193: ok 6737
193: ok 6738
193: ok 6739
193: ok 6740
193: ok 6741
193: ok 6742
193: ok 6743
193: ok 6744
193: ok 6745
193: ok 6746
193: ok 6747
193: ok 6748
193: ok 6749
193: ok 6750
193: ok 6751
193: ok 6752
193: ok 6753
193: ok 6754
193: ok 6755
193: ok 6756
193: ok 6757
193: ok 6758
193: ok 6759
193: ok 6760
193: ok 6761
193: ok 6762
193: ok 6763
193: ok 6764
193: ok 6765
193: ok 6766
193: ok 6767
193: ok 6768
193: ok 6769
193: ok 6770
193: ok 6771
193: ok 6772
193: ok 6773
193: ok 6774
193: ok 6775
193: ok 6776
193: ok 6777
193: ok 6778
193: ok 6779
193: ok 6780
193: ok 6781
193: ok 6782
193: ok 6783
193: ok 6784
193: ok 6785
193: ok 6786
193: ok 6787
193: ok 6788
193: ok 6789
193: ok 6790
193: ok 6791
193: ok 6792
193: ok 6793
193: ok 6794
193: ok 6795
193: ok 6796
193: ok 6797
193: ok 6798
193: ok 6799
193: ok 6800
193: ok 6801
193: ok 6802
193: ok 6803
193: ok 6804
193: ok 6805
193: ok 6806
193: ok 6807
193: ok 6808
193: ok 6809
193: ok 6810
193: ok 6811
193: ok 6812
193: ok 6813
193: ok 6814
193: ok 6815
193: ok 6816
193: ok 6817
193: ok 6818
193: ok 6819
193: ok 6820
193: ok 6821
193: ok 6822
193: ok 6823
193: ok 6824
193: ok 6825
193: ok 6826
193: ok 6827
193: ok 6828
193: ok 6829
193: ok 6830
193: ok 6831
193: ok 6832
193: ok 6833
193: ok 6834
193: ok 6835
193: ok 6836
193: ok 6837
193: ok 6838
193: ok 6839
193: ok 6840
193: ok 6841
193: ok 6842
193: ok 6843
193: ok 6844
193: ok 6845
193: ok 6846
193: ok 6847
193: ok 6848
193: ok 6849
193: ok 6850
193: ok 6851
193: ok 6852
193: ok 6853
193: ok 6854
193: ok 6855
193: ok 6856
193: ok 6857
193: ok 6858
193: ok 6859
193: ok 6860
193: ok 6861
193: ok 6862
193: ok 6863
193: ok 6864
193: ok 6865
193: ok 6866
193: ok 6867
193: ok 6868
193: ok 6869
193: ok 6870
193: ok 6871
193: ok 6872
193: ok 6873
193: ok 6874
193: ok 6875
193: ok 6876
193: ok 6877
193: ok 6878
193: ok 6879
193: ok 6880
193: ok 6881
193: ok 6882
193: ok 6883
193: ok 6884
193: ok 6885
193: ok 6886
193: ok 6887
193: ok 6888
193: ok 6889
193: ok 6890
193: ok 6891
193: ok 6892
193: ok 6893
193: ok 6894
193: ok 6895
193: ok 6896
193: ok 6897
193: ok 6898
193: ok 6899
193: ok 6900
193: ok 6901
193: ok 6902
193: ok 6903
193: ok 6904
193: ok 6905
193: ok 6906
193: ok 6907
193: ok 6908
193: ok 6909
193: ok 6910
193: ok 6911
193: ok 6912
193: ok 6913
193: ok 6914
193: ok 6915
193: ok 6916
193: ok 6917
193: ok 6918
193: ok 6919
193: ok 6920
193: ok 6921
193: ok 6922
193: ok 6923
193: ok 6924
193: ok 6925
193: ok 6926
193: ok 6927
193: ok 6928
193: ok 6929
193: ok 6930
193: ok 6931
193: ok 6932
193: ok 6933
193: ok 6934
193: ok 6935
193: ok 6936
193: ok 6937
193: ok 6938
193: ok 6939
193: ok 6940
193: ok 6941
193: ok 6942
193: ok 6943
193: ok 6944
193: ok 6945
193: ok 6946
193: ok 6947
193: ok 6948
193: ok 6949
193: ok 6950
193: ok 6951
193: ok 6952
193: ok 6953
193: ok 6954
193: ok 6955
193: ok 6956
193: ok 6957
193: ok 6958
193: ok 6959
193: ok 6960
193: ok 6961
193: ok 6962
193: ok 6963
193: ok 6964
193: ok 6965
193: ok 6966
193: ok 6967
193: ok 6968
193: ok 6969
193: ok 6970
193: ok 6971
193: ok 6972
193: ok 6973
193: ok 6974
193: ok 6975
193: ok 6976
193: ok 6977
193: ok 6978
193: ok 6979
193: ok 6980
193: ok 6981
193: ok 6982
193: ok 6983
193: ok 6984
193: ok 6985
193: ok 6986
193: ok 6987
193: ok 6988
193: ok 6989
193: ok 6990
193: ok 6991
193: ok 6992
193: ok 6993
193: ok 6994
193: ok 6995
193: ok 6996
193: ok 6997
193: ok 6998
193: ok 6999
193: ok 7000
193: # math: passed testEigenvalues
193: # math: entering testEigenvectors
193: ok 7001
193: ok 7002
193: ok 7003
193: ok 7004
193: ok 7005
193: ok 7006
193: ok 7007
193: ok 7008
193: ok 7009
193: ok 7010
193: ok 7011
193: ok 7012
193: ok 7013
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193: ok 7017
193: ok 7018
193: ok 7019
193: ok 7020
193: ok 7021
193: ok 7022
193: ok 7023
193: ok 7024
193: ok 7025
193: ok 7026
193: ok 7027
193: ok 7028
193: ok 7029
193: ok 7030
193: ok 7031
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193: ok 7033
193: ok 7034
193: ok 7035
193: ok 7036
193: ok 7037
193: ok 7038
193: ok 7039
193: ok 7040
193: ok 7041
193: ok 7042
193: ok 7043
193: ok 7044
193: ok 7045
193: ok 7046
193: ok 7047
193: ok 7048
193: ok 7049
193: ok 7050
193: ok 7051
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193: ok 7053
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193: ok 7057
193: ok 7058
193: ok 7059
193: ok 7060
193: ok 7061
193: ok 7062
193: ok 7063
193: ok 7064
193: ok 7065
193: ok 7066
193: ok 7067
193: ok 7068
193: ok 7069
193: ok 7070
193: ok 7071
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193: ok 7075
193: ok 7076
193: ok 7077
193: ok 7078
193: ok 7079
193: ok 7080
193: ok 7081
193: ok 7082
193: ok 7083
193: ok 7084
193: ok 7085
193: ok 7086
193: ok 7087
193: ok 7088
193: ok 7089
193: ok 7090
193: ok 7091
193: ok 7092
193: ok 7093
193: ok 7094
193: ok 7095
193: ok 7096
193: ok 7097
193: ok 7098
193: ok 7099
193: ok 7100
193: ok 7101
193: ok 7102
193: ok 7103
193: ok 7104
193: ok 7105
193: ok 7106
193: ok 7107
193: ok 7108
193: ok 7109
193: ok 7110
193: ok 7111
193: ok 7112
193: ok 7113
193: ok 7114
193: ok 7115
193: ok 7116
193: ok 7117
193: ok 7118
193: ok 7119
193: ok 7120
193: ok 7121
193: ok 7122
193: ok 7123
193: ok 7124
193: ok 7125
193: ok 7126
193: ok 7127
193: ok 7128
193: ok 7129
193: ok 7130
193: ok 7131
193: ok 7132
193: ok 7133
193: ok 7134
193: ok 7135
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193: ok 7175
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193: ok 7178
193: ok 7179
193: ok 7180
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193: ok 7183
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193: ok 7187
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193: ok 7203
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193: ok 7210
193: ok 7211
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193: ok 7218
193: ok 7219
193: ok 7220
193: ok 7221
193: ok 7222
193: ok 7223
193: ok 7224
193: ok 7225
193: ok 7226
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193: ok 7230
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193: ok 7299
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193: ok 8103
193: ok 8104
193: ok 8105
193: ok 8106
193: ok 8107
193: ok 8108
193: ok 8109
193: ok 8110
193: ok 8111
193: ok 8112
193: ok 8113
193: ok 8114
193: ok 8115
193: ok 8116
193: ok 8117
193: ok 8118
193: ok 8119
193: ok 8120
193: ok 8121
193: ok 8122
193: ok 8123
193: ok 8124
193: ok 8125
193: ok 8126
193: ok 8127
193: ok 8128
193: ok 8129
193: ok 8130
193: ok 8131
193: ok 8132
193: ok 8133
193: ok 8134
193: ok 8135
193: ok 8136
193: ok 8137
193: ok 8138
193: ok 8139
193: ok 8140
193: ok 8141
193: ok 8142
193: ok 8143
193: ok 8144
193: ok 8145
193: ok 8146
193: ok 8147
193: ok 8148
193: ok 8149
193: ok 8150
193: ok 8151
193: ok 8152
193: ok 8153
193: ok 8154
193: ok 8155
193: ok 8156
193: ok 8157
193: ok 8158
193: ok 8159
193: ok 8160
193: ok 8161
193: ok 8162
193: ok 8163
193: ok 8164
193: ok 8165
193: ok 8166
193: ok 8167
193: ok 8168
193: ok 8169
193: ok 8170
193: ok 8171
193: ok 8172
193: ok 8173
193: ok 8174
193: ok 8175
193: ok 8176
193: ok 8177
193: ok 8178
193: ok 8179
193: ok 8180
193: ok 8181
193: ok 8182
193: ok 8183
193: ok 8184
193: ok 8185
193: ok 8186
193: ok 8187
193: ok 8188
193: ok 8189
193: ok 8190
193: ok 8191
193: ok 8192
193: ok 8193
193: ok 8194
193: ok 8195
193: ok 8196
193: ok 8197
193: ok 8198
193: ok 8199
193: ok 8200
193: ok 8201
193: ok 8202
193: ok 8203
193: ok 8204
193: ok 8205
193: ok 8206
193: ok 8207
193: ok 8208
193: ok 8209
193: ok 8210
193: ok 8211
193: ok 8212
193: ok 8213
193: ok 8214
193: ok 8215
193: ok 8216
193: ok 8217
193: ok 8218
193: ok 8219
193: ok 8220
193: ok 8221
193: ok 8222
193: ok 8223
193: ok 8224
193: ok 8225
193: ok 8226
193: ok 8227
193: ok 8228
193: ok 8229
193: ok 8230
193: ok 8231
193: ok 8232
193: ok 8233
193: ok 8234
193: ok 8235
193: ok 8236
193: ok 8237
193: ok 8238
193: ok 8239
193: ok 8240
193: ok 8241
193: ok 8242
193: ok 8243
193: ok 8244
193: ok 8245
193: ok 8246
193: ok 8247
193: ok 8248
193: ok 8249
193: ok 8250
193: ok 8251
193: ok 8252
193: ok 8253
193: ok 8254
193: ok 8255
193: ok 8256
193: ok 8257
193: ok 8258
193: ok 8259
193: ok 8260
193: ok 8261
193: ok 8262
193: ok 8263
193: ok 8264
193: ok 8265
193: ok 8266
193: ok 8267
193: ok 8268
193: ok 8269
193: ok 8270
193: ok 8271
193: ok 8272
193: ok 8273
193: ok 8274
193: ok 8275
193: ok 8276
193: ok 8277
193: ok 8278
193: ok 8279
193: ok 8280
193: ok 8281
193: ok 8282
193: ok 8283
193: ok 8284
193: ok 8285
193: ok 8286
193: ok 8287
193: ok 8288
193: ok 8289
193: ok 8290
193: ok 8291
193: ok 8292
193: ok 8293
193: ok 8294
193: ok 8295
193: ok 8296
193: ok 8297
193: ok 8298
193: ok 8299
193: ok 8300
193: ok 8301
193: ok 8302
193: ok 8303
193: ok 8304
193: ok 8305
193: ok 8306
193: ok 8307
193: ok 8308
193: ok 8309
193: ok 8310
193: ok 8311
193: ok 8312
193: ok 8313
193: ok 8314
193: ok 8315
193: ok 8316
193: ok 8317
193: ok 8318
193: ok 8319
193: ok 8320
193: ok 8321
193: ok 8322
193: ok 8323
193: ok 8324
193: ok 8325
193: ok 8326
193: ok 8327
193: ok 8328
193: ok 8329
193: ok 8330
193: ok 8331
193: ok 8332
193: ok 8333
193: ok 8334
193: ok 8335
193: ok 8336
193: ok 8337
193: ok 8338
193: ok 8339
193: ok 8340
193: ok 8341
193: ok 8342
193: ok 8343
193: ok 8344
193: ok 8345
193: ok 8346
193: ok 8347
193: ok 8348
193: ok 8349
193: ok 8350
193: ok 8351
193: ok 8352
193: ok 8353
193: ok 8354
193: ok 8355
193: ok 8356
193: ok 8357
193: ok 8358
193: ok 8359
193: ok 8360
193: ok 8361
193: ok 8362
193: ok 8363
193: ok 8364
193: ok 8365
193: ok 8366
193: ok 8367
193: ok 8368
193: ok 8369
193: ok 8370
193: ok 8371
193: ok 8372
193: ok 8373
193: ok 8374
193: ok 8375
193: ok 8376
193: ok 8377
193: ok 8378
193: ok 8379
193: ok 8380
193: ok 8381
193: ok 8382
193: ok 8383
193: ok 8384
193: ok 8385
193: ok 8386
193: ok 8387
193: ok 8388
193: ok 8389
193: ok 8390
193: ok 8391
193: ok 8392
193: ok 8393
193: ok 8394
193: ok 8395
193: ok 8396
193: ok 8397
193: ok 8398
193: ok 8399
193: ok 8400
193: ok 8401
193: ok 8402
193: ok 8403
193: ok 8404
193: ok 8405
193: ok 8406
193: ok 8407
193: ok 8408
193: ok 8409
193: ok 8410
193: ok 8411
193: ok 8412
193: ok 8413
193: ok 8414
193: ok 8415
193: ok 8416
193: ok 8417
193: ok 8418
193: ok 8419
193: ok 8420
193: ok 8421
193: ok 8422
193: ok 8423
193: ok 8424
193: ok 8425
193: ok 8426
193: ok 8427
193: ok 8428
193: ok 8429
193: ok 8430
193: ok 8431
193: ok 8432
193: ok 8433
193: ok 8434
193: ok 8435
193: ok 8436
193: ok 8437
193: ok 8438
193: ok 8439
193: ok 8440
193: ok 8441
193: ok 8442
193: ok 8443
193: ok 8444
193: ok 8445
193: ok 8446
193: ok 8447
193: ok 8448
193: ok 8449
193: ok 8450
193: ok 8451
193: ok 8452
193: ok 8453
193: ok 8454
193: ok 8455
193: ok 8456
193: ok 8457
193: ok 8458
193: ok 8459
193: ok 8460
193: ok 8461
193: ok 8462
193: ok 8463
193: ok 8464
193: ok 8465
193: ok 8466
193: ok 8467
193: ok 8468
193: ok 8469
193: ok 8470
193: ok 8471
193: ok 8472
193: ok 8473
193: ok 8474
193: ok 8475
193: ok 8476
193: ok 8477
193: ok 8478
193: ok 8479
193: ok 8480
193: ok 8481
193: ok 8482
193: ok 8483
193: ok 8484
193: ok 8485
193: ok 8486
193: ok 8487
193: ok 8488
193: ok 8489
193: ok 8490
193: ok 8491
193: ok 8492
193: ok 8493
193: ok 8494
193: ok 8495
193: ok 8496
193: ok 8497
193: ok 8498
193: ok 8499
193: ok 8500
193: ok 8501
193: ok 8502
193: ok 8503
193: ok 8504
193: ok 8505
193: ok 8506
193: ok 8507
193: ok 8508
193: ok 8509
193: ok 8510
193: ok 8511
193: ok 8512
193: ok 8513
193: ok 8514
193: ok 8515
193: ok 8516
193: ok 8517
193: ok 8518
193: ok 8519
193: ok 8520
193: ok 8521
193: ok 8522
193: ok 8523
193: ok 8524
193: ok 8525
193: ok 8526
193: ok 8527
193: ok 8528
193: ok 8529
193: ok 8530
193: ok 8531
193: ok 8532
193: ok 8533
193: ok 8534
193: ok 8535
193: ok 8536
193: ok 8537
193: ok 8538
193: ok 8539
193: ok 8540
193: ok 8541
193: ok 8542
193: ok 8543
193: ok 8544
193: ok 8545
193: ok 8546
193: ok 8547
193: ok 8548
193: ok 8549
193: ok 8550
193: ok 8551
193: ok 8552
193: ok 8553
193: ok 8554
193: ok 8555
193: ok 8556
193: ok 8557
193: ok 8558
193: ok 8559
193: ok 8560
193: ok 8561
193: ok 8562
193: ok 8563
193: ok 8564
193: ok 8565
193: ok 8566
193: ok 8567
193: ok 8568
193: ok 8569
193: ok 8570
193: ok 8571
193: ok 8572
193: ok 8573
193: ok 8574
193: ok 8575
193: ok 8576
193: ok 8577
193: ok 8578
193: ok 8579
193: ok 8580
193: ok 8581
193: ok 8582
193: ok 8583
193: ok 8584
193: ok 8585
193: ok 8586
193: ok 8587
193: ok 8588
193: ok 8589
193: ok 8590
193: ok 8591
193: ok 8592
193: ok 8593
193: ok 8594
193: ok 8595
193: ok 8596
193: ok 8597
193: ok 8598
193: ok 8599
193: ok 8600
193: ok 8601
193: ok 8602
193: ok 8603
193: ok 8604
193: ok 8605
193: ok 8606
193: ok 8607
193: ok 8608
193: ok 8609
193: ok 8610
193: ok 8611
193: ok 8612
193: ok 8613
193: ok 8614
193: ok 8615
193: ok 8616
193: ok 8617
193: ok 8618
193: ok 8619
193: ok 8620
193: ok 8621
193: ok 8622
193: ok 8623
193: ok 8624
193: ok 8625
193: ok 8626
193: ok 8627
193: ok 8628
193: ok 8629
193: ok 8630
193: ok 8631
193: ok 8632
193: ok 8633
193: ok 8634
193: ok 8635
193: ok 8636
193: ok 8637
193: ok 8638
193: ok 8639
193: ok 8640
193: ok 8641
193: ok 8642
193: ok 8643
193: ok 8644
193: ok 8645
193: ok 8646
193: ok 8647
193: ok 8648
193: ok 8649
193: ok 8650
193: ok 8651
193: ok 8652
193: ok 8653
193: ok 8654
193: ok 8655
193: ok 8656
193: ok 8657
193: ok 8658
193: ok 8659
193: ok 8660
193: ok 8661
193: ok 8662
193: ok 8663
193: ok 8664
193: ok 8665
193: ok 8666
193: ok 8667
193: ok 8668
193: ok 8669
193: ok 8670
193: ok 8671
193: ok 8672
193: ok 8673
193: ok 8674
193: ok 8675
193: ok 8676
193: ok 8677
193: ok 8678
193: ok 8679
193: ok 8680
193: ok 8681
193: ok 8682
193: ok 8683
193: ok 8684
193: ok 8685
193: ok 8686
193: ok 8687
193: ok 8688
193: ok 8689
193: ok 8690
193: ok 8691
193: ok 8692
193: ok 8693
193: ok 8694
193: ok 8695
193: ok 8696
193: ok 8697
193: ok 8698
193: ok 8699
193: ok 8700
193: ok 8701
193: ok 8702
193: ok 8703
193: ok 8704
193: ok 8705
193: ok 8706
193: ok 8707
193: ok 8708
193: ok 8709
193: ok 8710
193: ok 8711
193: ok 8712
193: ok 8713
193: ok 8714
193: ok 8715
193: ok 8716
193: ok 8717
193: ok 8718
193: ok 8719
193: ok 8720
193: ok 8721
193: ok 8722
193: ok 8723
193: ok 8724
193: ok 8725
193: ok 8726
193: ok 8727
193: ok 8728
193: ok 8729
193: ok 8730
193: ok 8731
193: ok 8732
193: ok 8733
193: ok 8734
193: ok 8735
193: ok 8736
193: ok 8737
193: ok 8738
193: ok 8739
193: ok 8740
193: ok 8741
193: ok 8742
193: ok 8743
193: ok 8744
193: ok 8745
193: ok 8746
193: ok 8747
193: ok 8748
193: ok 8749
193: ok 8750
193: ok 8751
193: ok 8752
193: ok 8753
193: ok 8754
193: ok 8755
193: ok 8756
193: ok 8757
193: ok 8758
193: ok 8759
193: ok 8760
193: ok 8761
193: ok 8762
193: ok 8763
193: ok 8764
193: ok 8765
193: ok 8766
193: ok 8767
193: ok 8768
193: ok 8769
193: ok 8770
193: ok 8771
193: ok 8772
193: ok 8773
193: ok 8774
193: ok 8775
193: ok 8776
193: ok 8777
193: ok 8778
193: ok 8779
193: ok 8780
193: ok 8781
193: ok 8782
193: ok 8783
193: ok 8784
193: ok 8785
193: ok 8786
193: ok 8787
193: ok 8788
193: ok 8789
193: ok 8790
193: ok 8791
193: ok 8792
193: ok 8793
193: ok 8794
193: ok 8795
193: ok 8796
193: ok 8797
193: ok 8798
193: ok 8799
193: ok 8800
193: ok 8801
193: ok 8802
193: ok 8803
193: ok 8804
193: ok 8805
193: ok 8806
193: ok 8807
193: ok 8808
193: ok 8809
193: ok 8810
193: ok 8811
193: ok 8812
193: ok 8813
193: ok 8814
193: ok 8815
193: ok 8816
193: ok 8817
193: ok 8818
193: ok 8819
193: ok 8820
193: ok 8821
193: ok 8822
193: ok 8823
193: ok 8824
193: ok 8825
193: ok 8826
193: ok 8827
193: ok 8828
193: ok 8829
193: ok 8830
193: ok 8831
193: ok 8832
193: ok 8833
193: ok 8834
193: ok 8835
193: ok 8836
193: ok 8837
193: ok 8838
193: ok 8839
193: ok 8840
193: ok 8841
193: ok 8842
193: ok 8843
193: ok 8844
193: ok 8845
193: ok 8846
193: ok 8847
193: ok 8848
193: ok 8849
193: ok 8850
193: ok 8851
193: ok 8852
193: ok 8853
193: ok 8854
193: ok 8855
193: ok 8856
193: ok 8857
193: ok 8858
193: ok 8859
193: ok 8860
193: ok 8861
193: ok 8862
193: ok 8863
193: ok 8864
193: ok 8865
193: ok 8866
193: ok 8867
193: ok 8868
193: ok 8869
193: ok 8870
193: ok 8871
193: ok 8872
193: ok 8873
193: ok 8874
193: ok 8875
193: ok 8876
193: ok 8877
193: ok 8878
193: ok 8879
193: ok 8880
193: ok 8881
193: ok 8882
193: ok 8883
193: ok 8884
193: ok 8885
193: ok 8886
193: ok 8887
193: ok 8888
193: ok 8889
193: ok 8890
193: ok 8891
193: ok 8892
193: ok 8893
193: ok 8894
193: ok 8895
193: ok 8896
193: ok 8897
193: ok 8898
193: ok 8899
193: ok 8900
193: ok 8901
193: ok 8902
193: ok 8903
193: ok 8904
193: ok 8905
193: ok 8906
193: ok 8907
193: ok 8908
193: ok 8909
193: ok 8910
193: ok 8911
193: ok 8912
193: ok 8913
193: ok 8914
193: ok 8915
193: ok 8916
193: ok 8917
193: ok 8918
193: ok 8919
193: ok 8920
193: ok 8921
193: ok 8922
193: ok 8923
193: ok 8924
193: ok 8925
193: ok 8926
193: ok 8927
193: ok 8928
193: ok 8929
193: ok 8930
193: ok 8931
193: ok 8932
193: ok 8933
193: ok 8934
193: ok 8935
193: ok 8936
193: ok 8937
193: ok 8938
193: ok 8939
193: ok 8940
193: ok 8941
193: ok 8942
193: ok 8943
193: ok 8944
193: ok 8945
193: ok 8946
193: ok 8947
193: ok 8948
193: ok 8949
193: ok 8950
193: ok 8951
193: ok 8952
193: ok 8953
193: ok 8954
193: ok 8955
193: ok 8956
193: ok 8957
193: ok 8958
193: ok 8959
193: ok 8960
193: ok 8961
193: ok 8962
193: ok 8963
193: ok 8964
193: ok 8965
193: ok 8966
193: ok 8967
193: ok 8968
193: ok 8969
193: ok 8970
193: ok 8971
193: ok 8972
193: ok 8973
193: ok 8974
193: ok 8975
193: ok 8976
193: ok 8977
193: ok 8978
193: ok 8979
193: ok 8980
193: ok 8981
193: ok 8982
193: ok 8983
193: ok 8984
193: ok 8985
193: ok 8986
193: ok 8987
193: ok 8988
193: ok 8989
193: ok 8990
193: ok 8991
193: ok 8992
193: ok 8993
193: ok 8994
193: ok 8995
193: ok 8996
193: ok 8997
193: ok 8998
193: ok 8999
193: ok 9000
193: ok 9001
193: ok 9002
193: ok 9003
193: ok 9004
193: ok 9005
193: ok 9006
193: ok 9007
193: ok 9008
193: ok 9009
193: ok 9010
193: ok 9011
193: ok 9012
193: ok 9013
193: ok 9014
193: ok 9015
193: ok 9016
193: ok 9017
193: ok 9018
193: ok 9019
193: ok 9020
193: ok 9021
193: ok 9022
193: ok 9023
193: ok 9024
193: ok 9025
193: ok 9026
193: ok 9027
193: ok 9028
193: ok 9029
193: ok 9030
193: ok 9031
193: ok 9032
193: ok 9033
193: ok 9034
193: ok 9035
193: ok 9036
193: ok 9037
193: ok 9038
193: ok 9039
193: ok 9040
193: ok 9041
193: ok 9042
193: ok 9043
193: ok 9044
193: ok 9045
193: ok 9046
193: ok 9047
193: ok 9048
193: ok 9049
193: ok 9050
193: ok 9051
193: ok 9052
193: ok 9053
193: ok 9054
193: ok 9055
193: ok 9056
193: ok 9057
193: ok 9058
193: ok 9059
193: ok 9060
193: ok 9061
193: ok 9062
193: ok 9063
193: ok 9064
193: ok 9065
193: ok 9066
193: ok 9067
193: ok 9068
193: ok 9069
193: ok 9070
193: ok 9071
193: ok 9072
193: ok 9073
193: ok 9074
193: ok 9075
193: ok 9076
193: ok 9077
193: ok 9078
193: ok 9079
193: ok 9080
193: ok 9081
193: ok 9082
193: ok 9083
193: ok 9084
193: ok 9085
193: ok 9086
193: ok 9087
193: ok 9088
193: ok 9089
193: ok 9090
193: ok 9091
193: ok 9092
193: ok 9093
193: ok 9094
193: ok 9095
193: ok 9096
193: ok 9097
193: ok 9098
193: ok 9099
193: ok 9100
193: ok 9101
193: ok 9102
193: ok 9103
193: ok 9104
193: ok 9105
193: ok 9106
193: ok 9107
193: ok 9108
193: ok 9109
193: ok 9110
193: ok 9111
193: ok 9112
193: ok 9113
193: ok 9114
193: ok 9115
193: ok 9116
193: ok 9117
193: ok 9118
193: ok 9119
193: ok 9120
193: ok 9121
193: ok 9122
193: ok 9123
193: ok 9124
193: ok 9125
193: ok 9126
193: ok 9127
193: ok 9128
193: ok 9129
193: ok 9130
193: ok 9131
193: ok 9132
193: ok 9133
193: ok 9134
193: ok 9135
193: ok 9136
193: ok 9137
193: ok 9138
193: ok 9139
193: ok 9140
193: ok 9141
193: ok 9142
193: ok 9143
193: ok 9144
193: ok 9145
193: ok 9146
193: ok 9147
193: ok 9148
193: ok 9149
193: ok 9150
193: ok 9151
193: ok 9152
193: ok 9153
193: ok 9154
193: ok 9155
193: ok 9156
193: ok 9157
193: ok 9158
193: ok 9159
193: ok 9160
193: ok 9161
193: ok 9162
193: ok 9163
193: ok 9164
193: ok 9165
193: ok 9166
193: ok 9167
193: ok 9168
193: ok 9169
193: ok 9170
193: ok 9171
193: ok 9172
193: ok 9173
193: ok 9174
193: ok 9175
193: ok 9176
193: ok 9177
193: ok 9178
193: ok 9179
193: ok 9180
193: ok 9181
193: ok 9182
193: ok 9183
193: ok 9184
193: ok 9185
193: ok 9186
193: ok 9187
193: ok 9188
193: ok 9189
193: ok 9190
193: ok 9191
193: ok 9192
193: ok 9193
193: ok 9194
193: ok 9195
193: ok 9196
193: ok 9197
193: ok 9198
193: ok 9199
193: ok 9200
193: ok 9201
193: ok 9202
193: ok 9203
193: ok 9204
193: ok 9205
193: ok 9206
193: ok 9207
193: ok 9208
193: ok 9209
193: ok 9210
193: ok 9211
193: ok 9212
193: ok 9213
193: ok 9214
193: ok 9215
193: ok 9216
193: ok 9217
193: ok 9218
193: ok 9219
193: ok 9220
193: ok 9221
193: ok 9222
193: ok 9223
193: ok 9224
193: ok 9225
193: ok 9226
193: ok 9227
193: ok 9228
193: ok 9229
193: ok 9230
193: ok 9231
193: ok 9232
193: ok 9233
193: ok 9234
193: ok 9235
193: ok 9236
193: ok 9237
193: ok 9238
193: ok 9239
193: ok 9240
193: ok 9241
193: ok 9242
193: ok 9243
193: ok 9244
193: ok 9245
193: ok 9246
193: ok 9247
193: ok 9248
193: ok 9249
193: ok 9250
193: ok 9251
193: ok 9252
193: ok 9253
193: ok 9254
193: ok 9255
193: ok 9256
193: ok 9257
193: ok 9258
193: ok 9259
193: ok 9260
193: ok 9261
193: ok 9262
193: ok 9263
193: ok 9264
193: ok 9265
193: ok 9266
193: ok 9267
193: ok 9268
193: ok 9269
193: ok 9270
193: ok 9271
193: ok 9272
193: ok 9273
193: ok 9274
193: ok 9275
193: ok 9276
193: ok 9277
193: ok 9278
193: ok 9279
193: ok 9280
193: ok 9281
193: ok 9282
193: ok 9283
193: ok 9284
193: ok 9285
193: ok 9286
193: ok 9287
193: ok 9288
193: ok 9289
193: ok 9290
193: ok 9291
193: ok 9292
193: ok 9293
193: ok 9294
193: ok 9295
193: ok 9296
193: ok 9297
193: ok 9298
193: ok 9299
193: ok 9300
193: ok 9301
193: ok 9302
193: ok 9303
193: ok 9304
193: ok 9305
193: ok 9306
193: ok 9307
193: ok 9308
193: ok 9309
193: ok 9310
193: ok 9311
193: ok 9312
193: ok 9313
193: ok 9314
193: ok 9315
193: ok 9316
193: ok 9317
193: ok 9318
193: ok 9319
193: ok 9320
193: ok 9321
193: ok 9322
193: ok 9323
193: ok 9324
193: ok 9325
193: ok 9326
193: ok 9327
193: ok 9328
193: ok 9329
193: ok 9330
193: ok 9331
193: ok 9332
193: ok 9333
193: ok 9334
193: ok 9335
193: ok 9336
193: ok 9337
193: ok 9338
193: ok 9339
193: ok 9340
193: ok 9341
193: ok 9342
193: ok 9343
193: ok 9344
193: ok 9345
193: ok 9346
193: ok 9347
193: ok 9348
193: ok 9349
193: ok 9350
193: ok 9351
193: ok 9352
193: ok 9353
193: ok 9354
193: ok 9355
193: ok 9356
193: ok 9357
193: ok 9358
193: ok 9359
193: ok 9360
193: ok 9361
193: ok 9362
193: ok 9363
193: ok 9364
193: ok 9365
193: ok 9366
193: ok 9367
193: ok 9368
193: ok 9369
193: ok 9370
193: ok 9371
193: ok 9372
193: ok 9373
193: ok 9374
193: ok 9375
193: ok 9376
193: ok 9377
193: ok 9378
193: ok 9379
193: ok 9380
193: ok 9381
193: ok 9382
193: ok 9383
193: ok 9384
193: ok 9385
193: ok 9386
193: ok 9387
193: ok 9388
193: ok 9389
193: ok 9390
193: ok 9391
193: ok 9392
193: ok 9393
193: ok 9394
193: ok 9395
193: ok 9396
193: ok 9397
193: ok 9398
193: ok 9399
193: ok 9400
193: ok 9401
193: ok 9402
193: ok 9403
193: ok 9404
193: ok 9405
193: ok 9406
193: ok 9407
193: ok 9408
193: ok 9409
193: ok 9410
193: ok 9411
193: ok 9412
193: ok 9413
193: ok 9414
193: ok 9415
193: ok 9416
193: ok 9417
193: ok 9418
193: ok 9419
193: ok 9420
193: ok 9421
193: ok 9422
193: ok 9423
193: ok 9424
193: ok 9425
193: ok 9426
193: ok 9427
193: ok 9428
193: ok 9429
193: ok 9430
193: ok 9431
193: ok 9432
193: ok 9433
193: ok 9434
193: ok 9435
193: ok 9436
193: ok 9437
193: ok 9438
193: ok 9439
193: ok 9440
193: ok 9441
193: ok 9442
193: ok 9443
193: ok 9444
193: ok 9445
193: ok 9446
193: ok 9447
193: ok 9448
193: ok 9449
193: ok 9450
193: ok 9451
193: ok 9452
193: ok 9453
193: ok 9454
193: ok 9455
193: ok 9456
193: ok 9457
193: ok 9458
193: ok 9459
193: ok 9460
193: ok 9461
193: ok 9462
193: ok 9463
193: ok 9464
193: ok 9465
193: ok 9466
193: ok 9467
193: ok 9468
193: ok 9469
193: ok 9470
193: ok 9471
193: ok 9472
193: ok 9473
193: ok 9474
193: ok 9475
193: ok 9476
193: ok 9477
193: ok 9478
193: ok 9479
193: ok 9480
193: ok 9481
193: ok 9482
193: ok 9483
193: ok 9484
193: ok 9485
193: ok 9486
193: ok 9487
193: ok 9488
193: ok 9489
193: ok 9490
193: ok 9491
193: ok 9492
193: ok 9493
193: ok 9494
193: ok 9495
193: ok 9496
193: ok 9497
193: ok 9498
193: ok 9499
193: ok 9500
193: ok 9501
193: ok 9502
193: ok 9503
193: ok 9504
193: ok 9505
193: ok 9506
193: ok 9507
193: ok 9508
193: ok 9509
193: ok 9510
193: ok 9511
193: ok 9512
193: ok 9513
193: ok 9514
193: ok 9515
193: ok 9516
193: ok 9517
193: ok 9518
193: ok 9519
193: ok 9520
193: ok 9521
193: ok 9522
193: ok 9523
193: ok 9524
193: ok 9525
193: ok 9526
193: ok 9527
193: ok 9528
193: ok 9529
193: ok 9530
193: ok 9531
193: ok 9532
193: ok 9533
193: ok 9534
193: ok 9535
193: ok 9536
193: ok 9537
193: ok 9538
193: ok 9539
193: ok 9540
193: ok 9541
193: ok 9542
193: ok 9543
193: ok 9544
193: ok 9545
193: ok 9546
193: ok 9547
193: ok 9548
193: ok 9549
193: ok 9550
193: ok 9551
193: ok 9552
193: ok 9553
193: ok 9554
193: ok 9555
193: ok 9556
193: ok 9557
193: ok 9558
193: ok 9559
193: ok 9560
193: ok 9561
193: ok 9562
193: ok 9563
193: ok 9564
193: ok 9565
193: ok 9566
193: ok 9567
193: ok 9568
193: ok 9569
193: ok 9570
193: ok 9571
193: ok 9572
193: ok 9573
193: ok 9574
193: ok 9575
193: ok 9576
193: ok 9577
193: ok 9578
193: ok 9579
193: ok 9580
193: ok 9581
193: ok 9582
193: ok 9583
193: ok 9584
193: ok 9585
193: ok 9586
193: ok 9587
193: ok 9588
193: ok 9589
193: ok 9590
193: ok 9591
193: ok 9592
193: ok 9593
193: ok 9594
193: ok 9595
193: ok 9596
193: ok 9597
193: ok 9598
193: ok 9599
193: ok 9600
193: ok 9601
193: ok 9602
193: ok 9603
193: ok 9604
193: ok 9605
193: ok 9606
193: ok 9607
193: ok 9608
193: ok 9609
193: ok 9610
193: ok 9611
193: ok 9612
193: ok 9613
193: ok 9614
193: ok 9615
193: ok 9616
193: ok 9617
193: ok 9618
193: ok 9619
193: ok 9620
193: ok 9621
193: ok 9622
193: ok 9623
193: ok 9624
193: ok 9625
193: ok 9626
193: ok 9627
193: ok 9628
193: ok 9629
193: ok 9630
193: ok 9631
193: ok 9632
193: ok 9633
193: ok 9634
193: ok 9635
193: ok 9636
193: ok 9637
193: ok 9638
193: ok 9639
193: ok 9640
193: ok 9641
193: ok 9642
193: ok 9643
193: ok 9644
193: ok 9645
193: ok 9646
193: ok 9647
193: ok 9648
193: ok 9649
193: ok 9650
193: ok 9651
193: ok 9652
193: ok 9653
193: ok 9654
193: ok 9655
193: ok 9656
193: ok 9657
193: ok 9658
193: ok 9659
193: ok 9660
193: ok 9661
193: ok 9662
193: ok 9663
193: ok 9664
193: ok 9665
193: ok 9666
193: ok 9667
193: ok 9668
193: ok 9669
193: ok 9670
193: ok 9671
193: ok 9672
193: ok 9673
193: ok 9674
193: ok 9675
193: ok 9676
193: ok 9677
193: ok 9678
193: ok 9679
193: ok 9680
193: ok 9681
193: ok 9682
193: ok 9683
193: ok 9684
193: ok 9685
193: ok 9686
193: ok 9687
193: ok 9688
193: ok 9689
193: ok 9690
193: ok 9691
193: ok 9692
193: ok 9693
193: ok 9694
193: ok 9695
193: ok 9696
193: ok 9697
193: ok 9698
193: ok 9699
193: ok 9700
193: ok 9701
193: ok 9702
193: ok 9703
193: ok 9704
193: ok 9705
193: ok 9706
193: ok 9707
193: ok 9708
193: ok 9709
193: ok 9710
193: ok 9711
193: ok 9712
193: ok 9713
193: ok 9714
193: ok 9715
193: ok 9716
193: ok 9717
193: ok 9718
193: ok 9719
193: ok 9720
193: ok 9721
193: ok 9722
193: ok 9723
193: ok 9724
193: ok 9725
193: ok 9726
193: ok 9727
193: ok 9728
193: ok 9729
193: ok 9730
193: ok 9731
193: ok 9732
193: ok 9733
193: ok 9734
193: ok 9735
193: ok 9736
193: ok 9737
193: ok 9738
193: ok 9739
193: ok 9740
193: ok 9741
193: ok 9742
193: ok 9743
193: ok 9744
193: ok 9745
193: ok 9746
193: ok 9747
193: ok 9748
193: ok 9749
193: ok 9750
193: ok 9751
193: ok 9752
193: ok 9753
193: ok 9754
193: ok 9755
193: ok 9756
193: ok 9757
193: ok 9758
193: ok 9759
193: ok 9760
193: ok 9761
193: ok 9762
193: ok 9763
193: ok 9764
193: ok 9765
193: ok 9766
193: ok 9767
193: ok 9768
193: ok 9769
193: ok 9770
193: ok 9771
193: ok 9772
193: ok 9773
193: ok 9774
193: ok 9775
193: ok 9776
193: ok 9777
193: ok 9778
193: ok 9779
193: ok 9780
193: ok 9781
193: ok 9782
193: ok 9783
193: ok 9784
193: ok 9785
193: ok 9786
193: ok 9787
193: ok 9788
193: ok 9789
193: ok 9790
193: ok 9791
193: ok 9792
193: ok 9793
193: ok 9794
193: ok 9795
193: ok 9796
193: ok 9797
193: ok 9798
193: ok 9799
193: ok 9800
193: ok 9801
193: ok 9802
193: ok 9803
193: ok 9804
193: ok 9805
193: ok 9806
193: ok 9807
193: ok 9808
193: ok 9809
193: ok 9810
193: ok 9811
193: ok 9812
193: ok 9813
193: ok 9814
193: ok 9815
193: ok 9816
193: ok 9817
193: ok 9818
193: ok 9819
193: ok 9820
193: ok 9821
193: ok 9822
193: ok 9823
193: ok 9824
193: ok 9825
193: ok 9826
193: ok 9827
193: ok 9828
193: ok 9829
193: ok 9830
193: ok 9831
193: ok 9832
193: ok 9833
193: ok 9834
193: ok 9835
193: ok 9836
193: ok 9837
193: ok 9838
193: ok 9839
193: ok 9840
193: ok 9841
193: ok 9842
193: ok 9843
193: ok 9844
193: ok 9845
193: ok 9846
193: ok 9847
193: ok 9848
193: ok 9849
193: ok 9850
193: ok 9851
193: ok 9852
193: ok 9853
193: ok 9854
193: ok 9855
193: ok 9856
193: ok 9857
193: ok 9858
193: ok 9859
193: ok 9860
193: ok 9861
193: ok 9862
193: ok 9863
193: ok 9864
193: ok 9865
193: ok 9866
193: ok 9867
193: ok 9868
193: ok 9869
193: ok 9870
193: ok 9871
193: ok 9872
193: ok 9873
193: ok 9874
193: ok 9875
193: ok 9876
193: ok 9877
193: ok 9878
193: ok 9879
193: ok 9880
193: ok 9881
193: ok 9882
193: ok 9883
193: ok 9884
193: ok 9885
193: ok 9886
193: ok 9887
193: ok 9888
193: ok 9889
193: ok 9890
193: ok 9891
193: ok 9892
193: ok 9893
193: ok 9894
193: ok 9895
193: ok 9896
193: ok 9897
193: ok 9898
193: ok 9899
193: ok 9900
193: ok 9901
193: ok 9902
193: ok 9903
193: ok 9904
193: ok 9905
193: ok 9906
193: ok 9907
193: ok 9908
193: ok 9909
193: ok 9910
193: ok 9911
193: ok 9912
193: ok 9913
193: ok 9914
193: ok 9915
193: ok 9916
193: ok 9917
193: ok 9918
193: ok 9919
193: ok 9920
193: ok 9921
193: ok 9922
193: ok 9923
193: ok 9924
193: ok 9925
193: ok 9926
193: ok 9927
193: ok 9928
193: ok 9929
193: ok 9930
193: ok 9931
193: ok 9932
193: ok 9933
193: ok 9934
193: ok 9935
193: ok 9936
193: ok 9937
193: ok 9938
193: ok 9939
193: ok 9940
193: ok 9941
193: ok 9942
193: ok 9943
193: ok 9944
193: ok 9945
193: ok 9946
193: ok 9947
193: ok 9948
193: ok 9949
193: ok 9950
193: ok 9951
193: ok 9952
193: ok 9953
193: ok 9954
193: ok 9955
193: ok 9956
193: ok 9957
193: ok 9958
193: ok 9959
193: ok 9960
193: ok 9961
193: ok 9962
193: ok 9963
193: ok 9964
193: ok 9965
193: ok 9966
193: ok 9967
193: ok 9968
193: ok 9969
193: ok 9970
193: ok 9971
193: ok 9972
193: ok 9973
193: ok 9974
193: ok 9975
193: ok 9976
193: ok 9977
193: ok 9978
193: ok 9979
193: ok 9980
193: ok 9981
193: ok 9982
193: ok 9983
193: ok 9984
193: ok 9985
193: ok 9986
193: ok 9987
193: ok 9988
193: ok 9989
193: ok 9990
193: ok 9991
193: ok 9992
193: ok 9993
193: ok 9994
193: ok 9995
193: ok 9996
193: ok 9997
193: ok 9998
193: ok 9999
193: ok 10000
193: ok 10001
193: ok 10002
193: ok 10003
193: ok 10004
193: ok 10005
193: ok 10006
193: ok 10007
193: ok 10008
193: ok 10009
193: ok 10010
193: ok 10011
193: ok 10012
193: ok 10013
193: ok 10014
193: ok 10015
193: ok 10016
193: ok 10017
193: ok 10018
193: ok 10019
193: ok 10020
193: ok 10021
193: ok 10022
193: ok 10023
193: ok 10024
193: ok 10025
193: ok 10026
193: ok 10027
193: ok 10028
193: ok 10029
193: ok 10030
193: ok 10031
193: ok 10032
193: ok 10033
193: ok 10034
193: ok 10035
193: ok 10036
193: ok 10037
193: ok 10038
193: ok 10039
193: ok 10040
193: ok 10041
193: ok 10042
193: ok 10043
193: ok 10044
193: ok 10045
193: ok 10046
193: ok 10047
193: ok 10048
193: ok 10049
193: ok 10050
193: ok 10051
193: ok 10052
193: ok 10053
193: ok 10054
193: ok 10055
193: ok 10056
193: ok 10057
193: ok 10058
193: ok 10059
193: ok 10060
193: ok 10061
193: ok 10062
193: ok 10063
193: ok 10064
193: ok 10065
193: ok 10066
193: ok 10067
193: ok 10068
193: ok 10069
193: ok 10070
193: ok 10071
193: ok 10072
193: ok 10073
193: ok 10074
193: ok 10075
193: ok 10076
193: ok 10077
193: ok 10078
193: ok 10079
193: ok 10080
193: ok 10081
193: ok 10082
193: ok 10083
193: ok 10084
193: ok 10085
193: ok 10086
193: ok 10087
193: ok 10088
193: ok 10089
193: ok 10090
193: ok 10091
193: ok 10092
193: ok 10093
193: ok 10094
193: ok 10095
193: ok 10096
193: ok 10097
193: ok 10098
193: ok 10099
193: ok 10100
193: ok 10101
193: ok 10102
193: ok 10103
193: ok 10104
193: ok 10105
193: ok 10106
193: ok 10107
193: ok 10108
193: ok 10109
193: ok 10110
193: ok 10111
193: ok 10112
193: ok 10113
193: ok 10114
193: ok 10115
193: ok 10116
193: ok 10117
193: ok 10118
193: ok 10119
193: ok 10120
193: ok 10121
193: ok 10122
193: ok 10123
193: ok 10124
193: ok 10125
193: ok 10126
193: ok 10127
193: ok 10128
193: ok 10129
193: ok 10130
193: ok 10131
193: ok 10132
193: ok 10133
193: ok 10134
193: ok 10135
193: ok 10136
193: ok 10137
193: ok 10138
193: ok 10139
193: ok 10140
193: ok 10141
193: ok 10142
193: ok 10143
193: ok 10144
193: ok 10145
193: ok 10146
193: ok 10147
193: ok 10148
193: ok 10149
193: ok 10150
193: ok 10151
193: ok 10152
193: ok 10153
193: ok 10154
193: ok 10155
193: ok 10156
193: ok 10157
193: ok 10158
193: ok 10159
193: ok 10160
193: ok 10161
193: ok 10162
193: ok 10163
193: ok 10164
193: ok 10165
193: ok 10166
193: ok 10167
193: ok 10168
193: ok 10169
193: ok 10170
193: ok 10171
193: ok 10172
193: ok 10173
193: ok 10174
193: ok 10175
193: ok 10176
193: ok 10177
193: ok 10178
193: ok 10179
193: ok 10180
193: ok 10181
193: ok 10182
193: ok 10183
193: ok 10184
193: ok 10185
193: ok 10186
193: ok 10187
193: ok 10188
193: ok 10189
193: ok 10190
193: ok 10191
193: ok 10192
193: ok 10193
193: ok 10194
193: ok 10195
193: ok 10196
193: ok 10197
193: ok 10198
193: ok 10199
193: ok 10200
193: ok 10201
193: ok 10202
193: ok 10203
193: ok 10204
193: ok 10205
193: ok 10206
193: ok 10207
193: ok 10208
193: ok 10209
193: ok 10210
193: ok 10211
193: ok 10212
193: ok 10213
193: ok 10214
193: ok 10215
193: ok 10216
193: ok 10217
193: ok 10218
193: ok 10219
193: ok 10220
193: ok 10221
193: ok 10222
193: ok 10223
193: ok 10224
193: ok 10225
193: ok 10226
193: ok 10227
193: ok 10228
193: ok 10229
193: ok 10230
193: ok 10231
193: ok 10232
193: ok 10233
193: ok 10234
193: ok 10235
193: ok 10236
193: ok 10237
193: ok 10238
193: ok 10239
193: ok 10240
193: ok 10241
193: ok 10242
193: ok 10243
193: ok 10244
193: ok 10245
193: ok 10246
193: ok 10247
193: ok 10248
193: ok 10249
193: ok 10250
193: ok 10251
193: ok 10252
193: ok 10253
193: ok 10254
193: ok 10255
193: ok 10256
193: ok 10257
193: ok 10258
193: ok 10259
193: ok 10260
193: ok 10261
193: ok 10262
193: ok 10263
193: ok 10264
193: ok 10265
193: ok 10266
193: ok 10267
193: ok 10268
193: ok 10269
193: ok 10270
193: ok 10271
193: ok 10272
193: ok 10273
193: ok 10274
193: ok 10275
193: ok 10276
193: ok 10277
193: ok 10278
193: ok 10279
193: ok 10280
193: ok 10281
193: ok 10282
193: ok 10283
193: ok 10284
193: ok 10285
193: ok 10286
193: ok 10287
193: ok 10288
193: ok 10289
193: ok 10290
193: ok 10291
193: ok 10292
193: ok 10293
193: ok 10294
193: ok 10295
193: ok 10296
193: ok 10297
193: ok 10298
193: ok 10299
193: ok 10300
193: ok 10301
193: ok 10302
193: ok 10303
193: ok 10304
193: ok 10305
193: ok 10306
193: ok 10307
193: ok 10308
193: ok 10309
193: ok 10310
193: ok 10311
193: ok 10312
193: ok 10313
193: ok 10314
193: ok 10315
193: ok 10316
193: ok 10317
193: ok 10318
193: ok 10319
193: ok 10320
193: ok 10321
193: ok 10322
193: ok 10323
193: ok 10324
193: ok 10325
193: ok 10326
193: ok 10327
193: ok 10328
193: ok 10329
193: ok 10330
193: ok 10331
193: ok 10332
193: ok 10333
193: ok 10334
193: ok 10335
193: ok 10336
193: ok 10337
193: ok 10338
193: ok 10339
193: ok 10340
193: ok 10341
193: ok 10342
193: ok 10343
193: ok 10344
193: ok 10345
193: ok 10346
193: ok 10347
193: ok 10348
193: ok 10349
193: ok 10350
193: ok 10351
193: ok 10352
193: ok 10353
193: ok 10354
193: ok 10355
193: ok 10356
193: ok 10357
193: ok 10358
193: ok 10359
193: ok 10360
193: ok 10361
193: ok 10362
193: ok 10363
193: ok 10364
193: ok 10365
193: ok 10366
193: ok 10367
193: ok 10368
193: ok 10369
193: ok 10370
193: ok 10371
193: ok 10372
193: ok 10373
193: ok 10374
193: ok 10375
193: ok 10376
193: ok 10377
193: ok 10378
193: ok 10379
193: ok 10380
193: ok 10381
193: ok 10382
193: ok 10383
193: ok 10384
193: ok 10385
193: ok 10386
193: ok 10387
193: ok 10388
193: ok 10389
193: ok 10390
193: ok 10391
193: ok 10392
193: ok 10393
193: ok 10394
193: ok 10395
193: ok 10396
193: ok 10397
193: ok 10398
193: ok 10399
193: ok 10400
193: ok 10401
193: ok 10402
193: ok 10403
193: ok 10404
193: ok 10405
193: ok 10406
193: ok 10407
193: ok 10408
193: ok 10409
193: ok 10410
193: ok 10411
193: ok 10412
193: ok 10413
193: ok 10414
193: ok 10415
193: ok 10416
193: ok 10417
193: ok 10418
193: ok 10419
193: ok 10420
193: ok 10421
193: ok 10422
193: ok 10423
193: ok 10424
193: ok 10425
193: ok 10426
193: ok 10427
193: ok 10428
193: ok 10429
193: ok 10430
193: ok 10431
193: ok 10432
193: ok 10433
193: ok 10434
193: ok 10435
193: ok 10436
193: ok 10437
193: ok 10438
193: ok 10439
193: ok 10440
193: ok 10441
193: ok 10442
193: ok 10443
193: ok 10444
193: ok 10445
193: ok 10446
193: ok 10447
193: ok 10448
193: ok 10449
193: ok 10450
193: ok 10451
193: ok 10452
193: ok 10453
193: ok 10454
193: ok 10455
193: ok 10456
193: ok 10457
193: ok 10458
193: ok 10459
193: ok 10460
193: ok 10461
193: ok 10462
193: ok 10463
193: ok 10464
193: ok 10465
193: ok 10466
193: ok 10467
193: ok 10468
193: ok 10469
193: ok 10470
193: ok 10471
193: ok 10472
193: ok 10473
193: ok 10474
193: ok 10475
193: ok 10476
193: ok 10477
193: ok 10478
193: ok 10479
193: ok 10480
193: ok 10481
193: ok 10482
193: ok 10483
193: ok 10484
193: ok 10485
193: ok 10486
193: ok 10487
193: ok 10488
193: ok 10489
193: ok 10490
193: ok 10491
193: ok 10492
193: ok 10493
193: ok 10494
193: ok 10495
193: ok 10496
193: ok 10497
193: ok 10498
193: ok 10499
193: ok 10500
193: ok 10501
193: ok 10502
193: ok 10503
193: ok 10504
193: ok 10505
193: ok 10506
193: ok 10507
193: ok 10508
193: ok 10509
193: ok 10510
193: ok 10511
193: ok 10512
193: ok 10513
193: ok 10514
193: ok 10515
193: ok 10516
193: ok 10517
193: ok 10518
193: ok 10519
193: ok 10520
193: ok 10521
193: ok 10522
193: ok 10523
193: ok 10524
193: ok 10525
193: ok 10526
193: ok 10527
193: ok 10528
193: ok 10529
193: ok 10530
193: ok 10531
193: ok 10532
193: ok 10533
193: ok 10534
193: ok 10535
193: ok 10536
193: ok 10537
193: ok 10538
193: ok 10539
193: ok 10540
193: ok 10541
193: ok 10542
193: ok 10543
193: ok 10544
193: ok 10545
193: ok 10546
193: ok 10547
193: ok 10548
193: ok 10549
193: ok 10550
193: ok 10551
193: ok 10552
193: ok 10553
193: ok 10554
193: ok 10555
193: ok 10556
193: ok 10557
193: ok 10558
193: ok 10559
193: ok 10560
193: ok 10561
193: ok 10562
193: ok 10563
193: ok 10564
193: ok 10565
193: ok 10566
193: ok 10567
193: ok 10568
193: ok 10569
193: ok 10570
193: ok 10571
193: ok 10572
193: ok 10573
193: ok 10574
193: ok 10575
193: ok 10576
193: ok 10577
193: ok 10578
193: ok 10579
193: ok 10580
193: ok 10581
193: ok 10582
193: ok 10583
193: ok 10584
193: ok 10585
193: ok 10586
193: ok 10587
193: ok 10588
193: ok 10589
193: ok 10590
193: ok 10591
193: ok 10592
193: ok 10593
193: ok 10594
193: ok 10595
193: ok 10596
193: ok 10597
193: ok 10598
193: ok 10599
193: ok 10600
193: ok 10601
193: ok 10602
193: ok 10603
193: ok 10604
193: ok 10605
193: ok 10606
193: ok 10607
193: ok 10608
193: ok 10609
193: ok 10610
193: ok 10611
193: ok 10612
193: ok 10613
193: ok 10614
193: ok 10615
193: ok 10616
193: ok 10617
193: ok 10618
193: ok 10619
193: ok 10620
193: ok 10621
193: ok 10622
193: ok 10623
193: ok 10624
193: ok 10625
193: ok 10626
193: ok 10627
193: ok 10628
193: ok 10629
193: ok 10630
193: ok 10631
193: ok 10632
193: ok 10633
193: ok 10634
193: ok 10635
193: ok 10636
193: ok 10637
193: ok 10638
193: ok 10639
193: ok 10640
193: ok 10641
193: ok 10642
193: ok 10643
193: ok 10644
193: ok 10645
193: ok 10646
193: ok 10647
193: ok 10648
193: ok 10649
193: ok 10650
193: ok 10651
193: ok 10652
193: ok 10653
193: ok 10654
193: ok 10655
193: ok 10656
193: ok 10657
193: ok 10658
193: ok 10659
193: ok 10660
193: ok 10661
193: ok 10662
193: ok 10663
193: ok 10664
193: ok 10665
193: ok 10666
193: ok 10667
193: ok 10668
193: ok 10669
193: ok 10670
193: ok 10671
193: ok 10672
193: ok 10673
193: ok 10674
193: ok 10675
193: ok 10676
193: ok 10677
193: ok 10678
193: ok 10679
193: ok 10680
193: ok 10681
193: ok 10682
193: ok 10683
193: ok 10684
193: ok 10685
193: ok 10686
193: ok 10687
193: ok 10688
193: ok 10689
193: ok 10690
193: ok 10691
193: ok 10692
193: ok 10693
193: ok 10694
193: ok 10695
193: ok 10696
193: ok 10697
193: ok 10698
193: ok 10699
193: ok 10700
193: ok 10701
193: ok 10702
193: ok 10703
193: ok 10704
193: ok 10705
193: ok 10706
193: ok 10707
193: ok 10708
193: ok 10709
193: ok 10710
193: ok 10711
193: ok 10712
193: ok 10713
193: ok 10714
193: ok 10715
193: ok 10716
193: ok 10717
193: ok 10718
193: ok 10719
193: ok 10720
193: ok 10721
193: ok 10722
193: ok 10723
193: ok 10724
193: ok 10725
193: ok 10726
193: ok 10727
193: ok 10728
193: ok 10729
193: ok 10730
193: ok 10731
193: ok 10732
193: ok 10733
193: ok 10734
193: ok 10735
193: ok 10736
193: ok 10737
193: ok 10738
193: ok 10739
193: ok 10740
193: ok 10741
193: ok 10742
193: ok 10743
193: ok 10744
193: ok 10745
193: ok 10746
193: ok 10747
193: ok 10748
193: ok 10749
193: ok 10750
193: ok 10751
193: ok 10752
193: ok 10753
193: ok 10754
193: ok 10755
193: ok 10756
193: ok 10757
193: ok 10758
193: ok 10759
193: ok 10760
193: ok 10761
193: ok 10762
193: ok 10763
193: ok 10764
193: ok 10765
193: ok 10766
193: ok 10767
193: ok 10768
193: ok 10769
193: ok 10770
193: ok 10771
193: ok 10772
193: ok 10773
193: ok 10774
193: ok 10775
193: ok 10776
193: ok 10777
193: ok 10778
193: ok 10779
193: ok 10780
193: ok 10781
193: ok 10782
193: ok 10783
193: ok 10784
193: ok 10785
193: ok 10786
193: ok 10787
193: ok 10788
193: ok 10789
193: ok 10790
193: ok 10791
193: ok 10792
193: ok 10793
193: ok 10794
193: ok 10795
193: ok 10796
193: ok 10797
193: ok 10798
193: ok 10799
193: ok 10800
193: ok 10801
193: ok 10802
193: ok 10803
193: ok 10804
193: ok 10805
193: ok 10806
193: ok 10807
193: ok 10808
193: ok 10809
193: ok 10810
193: ok 10811
193: ok 10812
193: ok 10813
193: ok 10814
193: ok 10815
193: ok 10816
193: ok 10817
193: ok 10818
193: ok 10819
193: ok 10820
193: ok 10821
193: ok 10822
193: ok 10823
193: ok 10824
193: ok 10825
193: ok 10826
193: ok 10827
193: ok 10828
193: ok 10829
193: ok 10830
193: ok 10831
193: ok 10832
193: ok 10833
193: ok 10834
193: ok 10835
193: ok 10836
193: ok 10837
193: ok 10838
193: ok 10839
193: ok 10840
193: ok 10841
193: ok 10842
193: ok 10843
193: ok 10844
193: ok 10845
193: ok 10846
193: ok 10847
193: ok 10848
193: ok 10849
193: ok 10850
193: ok 10851
193: ok 10852
193: ok 10853
193: ok 10854
193: ok 10855
193: ok 10856
193: ok 10857
193: ok 10858
193: ok 10859
193: ok 10860
193: ok 10861
193: ok 10862
193: ok 10863
193: ok 10864
193: ok 10865
193: ok 10866
193: ok 10867
193: ok 10868
193: ok 10869
193: ok 10870
193: ok 10871
193: ok 10872
193: ok 10873
193: ok 10874
193: ok 10875
193: ok 10876
193: ok 10877
193: ok 10878
193: ok 10879
193: ok 10880
193: ok 10881
193: ok 10882
193: ok 10883
193: ok 10884
193: ok 10885
193: ok 10886
193: ok 10887
193: ok 10888
193: ok 10889
193: ok 10890
193: ok 10891
193: ok 10892
193: ok 10893
193: ok 10894
193: ok 10895
193: ok 10896
193: ok 10897
193: ok 10898
193: ok 10899
193: ok 10900
193: ok 10901
193: ok 10902
193: ok 10903
193: ok 10904
193: ok 10905
193: ok 10906
193: ok 10907
193: ok 10908
193: ok 10909
193: ok 10910
193: ok 10911
193: ok 10912
193: ok 10913
193: ok 10914
193: ok 10915
193: ok 10916
193: ok 10917
193: ok 10918
193: ok 10919
193: ok 10920
193: ok 10921
193: ok 10922
193: ok 10923
193: ok 10924
193: ok 10925
193: ok 10926
193: ok 10927
193: ok 10928
193: ok 10929
193: ok 10930
193: ok 10931
193: ok 10932
193: ok 10933
193: ok 10934
193: ok 10935
193: ok 10936
193: ok 10937
193: ok 10938
193: ok 10939
193: ok 10940
193: ok 10941
193: ok 10942
193: ok 10943
193: ok 10944
193: ok 10945
193: ok 10946
193: ok 10947
193: ok 10948
193: ok 10949
193: ok 10950
193: ok 10951
193: ok 10952
193: ok 10953
193: ok 10954
193: ok 10955
193: ok 10956
193: ok 10957
193: ok 10958
193: ok 10959
193: ok 10960
193: ok 10961
193: ok 10962
193: ok 10963
193: ok 10964
193: ok 10965
193: ok 10966
193: ok 10967
193: ok 10968
193: ok 10969
193: ok 10970
193: ok 10971
193: ok 10972
193: ok 10973
193: ok 10974
193: ok 10975
193: ok 10976
193: ok 10977
193: ok 10978
193: ok 10979
193: ok 10980
193: ok 10981
193: ok 10982
193: ok 10983
193: ok 10984
193: ok 10985
193: ok 10986
193: ok 10987
193: ok 10988
193: ok 10989
193: ok 10990
193: ok 10991
193: ok 10992
193: ok 10993
193: ok 10994
193: ok 10995
193: ok 10996
193: ok 10997
193: ok 10998
193: ok 10999
193: ok 11000
193: ok 11001
193: ok 11002
193: ok 11003
193: ok 11004
193: ok 11005
193: ok 11006
193: ok 11007
193: ok 11008
193: ok 11009
193: ok 11010
193: ok 11011
193: ok 11012
193: ok 11013
193: ok 11014
193: ok 11015
193: ok 11016
193: ok 11017
193: ok 11018
193: ok 11019
193: ok 11020
193: ok 11021
193: ok 11022
193: ok 11023
193: ok 11024
193: ok 11025
193: ok 11026
193: ok 11027
193: ok 11028
193: ok 11029
193: ok 11030
193: ok 11031
193: ok 11032
193: ok 11033
193: ok 11034
193: ok 11035
193: ok 11036
193: ok 11037
193: ok 11038
193: ok 11039
193: ok 11040
193: ok 11041
193: ok 11042
193: ok 11043
193: ok 11044
193: ok 11045
193: ok 11046
193: ok 11047
193: ok 11048
193: ok 11049
193: ok 11050
193: ok 11051
193: ok 11052
193: ok 11053
193: ok 11054
193: ok 11055
193: ok 11056
193: ok 11057
193: ok 11058
193: ok 11059
193: ok 11060
193: ok 11061
193: ok 11062
193: ok 11063
193: ok 11064
193: ok 11065
193: ok 11066
193: ok 11067
193: ok 11068
193: ok 11069
193: ok 11070
193: ok 11071
193: ok 11072
193: ok 11073
193: ok 11074
193: ok 11075
193: ok 11076
193: ok 11077
193: ok 11078
193: ok 11079
193: ok 11080
193: ok 11081
193: ok 11082
193: ok 11083
193: ok 11084
193: ok 11085
193: ok 11086
193: ok 11087
193: ok 11088
193: ok 11089
193: ok 11090
193: ok 11091
193: ok 11092
193: ok 11093
193: ok 11094
193: ok 11095
193: ok 11096
193: ok 11097
193: ok 11098
193: ok 11099
193: ok 11100
193: ok 11101
193: ok 11102
193: ok 11103
193: ok 11104
193: ok 11105
193: ok 11106
193: ok 11107
193: ok 11108
193: ok 11109
193: ok 11110
193: ok 11111
193: ok 11112
193: ok 11113
193: ok 11114
193: ok 11115
193: ok 11116
193: ok 11117
193: ok 11118
193: ok 11119
193: ok 11120
193: ok 11121
193: ok 11122
193: ok 11123
193: ok 11124
193: ok 11125
193: ok 11126
193: ok 11127
193: ok 11128
193: ok 11129
193: ok 11130
193: ok 11131
193: ok 11132
193: ok 11133
193: ok 11134
193: ok 11135
193: ok 11136
193: ok 11137
193: ok 11138
193: ok 11139
193: ok 11140
193: ok 11141
193: ok 11142
193: ok 11143
193: ok 11144
193: ok 11145
193: ok 11146
193: ok 11147
193: ok 11148
193: ok 11149
193: ok 11150
193: ok 11151
193: ok 11152
193: ok 11153
193: ok 11154
193: ok 11155
193: ok 11156
193: ok 11157
193: ok 11158
193: ok 11159
193: ok 11160
193: ok 11161
193: ok 11162
193: ok 11163
193: ok 11164
193: ok 11165
193: ok 11166
193: ok 11167
193: ok 11168
193: ok 11169
193: ok 11170
193: ok 11171
193: ok 11172
193: ok 11173
193: ok 11174
193: ok 11175
193: ok 11176
193: ok 11177
193: ok 11178
193: ok 11179
193: ok 11180
193: ok 11181
193: ok 11182
193: ok 11183
193: ok 11184
193: ok 11185
193: ok 11186
193: ok 11187
193: ok 11188
193: ok 11189
193: ok 11190
193: ok 11191
193: ok 11192
193: ok 11193
193: ok 11194
193: ok 11195
193: ok 11196
193: ok 11197
193: ok 11198
193: ok 11199
193: ok 11200
193: ok 11201
193: ok 11202
193: ok 11203
193: ok 11204
193: ok 11205
193: ok 11206
193: ok 11207
193: ok 11208
193: ok 11209
193: ok 11210
193: ok 11211
193: ok 11212
193: ok 11213
193: ok 11214
193: ok 11215
193: ok 11216
193: ok 11217
193: ok 11218
193: ok 11219
193: ok 11220
193: ok 11221
193: ok 11222
193: ok 11223
193: ok 11224
193: ok 11225
193: ok 11226
193: ok 11227
193: ok 11228
193: ok 11229
193: ok 11230
193: ok 11231
193: ok 11232
193: ok 11233
193: ok 11234
193: ok 11235
193: ok 11236
193: ok 11237
193: ok 11238
193: ok 11239
193: ok 11240
193: ok 11241
193: ok 11242
193: ok 11243
193: ok 11244
193: ok 11245
193: ok 11246
193: ok 11247
193: ok 11248
193: ok 11249
193: ok 11250
193: ok 11251
193: ok 11252
193: ok 11253
193: ok 11254
193: ok 11255
193: ok 11256
193: ok 11257
193: ok 11258
193: ok 11259
193: ok 11260
193: ok 11261
193: ok 11262
193: ok 11263
193: ok 11264
193: ok 11265
193: ok 11266
193: ok 11267
193: ok 11268
193: ok 11269
193: ok 11270
193: ok 11271
193: ok 11272
193: ok 11273
193: ok 11274
193: ok 11275
193: ok 11276
193: ok 11277
193: ok 11278
193: ok 11279
193: ok 11280
193: ok 11281
193: ok 11282
193: ok 11283
193: ok 11284
193: ok 11285
193: ok 11286
193: ok 11287
193: ok 11288
193: ok 11289
193: ok 11290
193: ok 11291
193: ok 11292
193: ok 11293
193: ok 11294
193: ok 11295
193: ok 11296
193: ok 11297
193: ok 11298
193: ok 11299
193: ok 11300
193: ok 11301
193: ok 11302
193: ok 11303
193: ok 11304
193: ok 11305
193: ok 11306
193: ok 11307
193: ok 11308
193: ok 11309
193: ok 11310
193: ok 11311
193: ok 11312
193: ok 11313
193: ok 11314
193: ok 11315
193: ok 11316
193: ok 11317
193: ok 11318
193: ok 11319
193: ok 11320
193: ok 11321
193: ok 11322
193: ok 11323
193: ok 11324
193: ok 11325
193: ok 11326
193: ok 11327
193: ok 11328
193: ok 11329
193: ok 11330
193: ok 11331
193: ok 11332
193: ok 11333
193: ok 11334
193: ok 11335
193: ok 11336
193: ok 11337
193: ok 11338
193: ok 11339
193: ok 11340
193: ok 11341
193: ok 11342
193: ok 11343
193: ok 11344
193: ok 11345
193: ok 11346
193: ok 11347
193: ok 11348
193: ok 11349
193: ok 11350
193: ok 11351
193: ok 11352
193: ok 11353
193: ok 11354
193: ok 11355
193: ok 11356
193: ok 11357
193: ok 11358
193: ok 11359
193: ok 11360
193: ok 11361
193: ok 11362
193: ok 11363
193: ok 11364
193: ok 11365
193: ok 11366
193: ok 11367
193: ok 11368
193: ok 11369
193: ok 11370
193: ok 11371
193: ok 11372
193: ok 11373
193: ok 11374
193: ok 11375
193: ok 11376
193: ok 11377
193: ok 11378
193: ok 11379
193: ok 11380
193: ok 11381
193: ok 11382
193: ok 11383
193: ok 11384
193: ok 11385
193: ok 11386
193: ok 11387
193: ok 11388
193: ok 11389
193: ok 11390
193: ok 11391
193: ok 11392
193: ok 11393
193: ok 11394
193: ok 11395
193: ok 11396
193: ok 11397
193: ok 11398
193: ok 11399
193: ok 11400
193: ok 11401
193: ok 11402
193: ok 11403
193: ok 11404
193: ok 11405
193: ok 11406
193: ok 11407
193: ok 11408
193: ok 11409
193: ok 11410
193: ok 11411
193: ok 11412
193: ok 11413
193: ok 11414
193: ok 11415
193: ok 11416
193: ok 11417
193: ok 11418
193: ok 11419
193: ok 11420
193: ok 11421
193: ok 11422
193: ok 11423
193: ok 11424
193: ok 11425
193: ok 11426
193: ok 11427
193: ok 11428
193: ok 11429
193: ok 11430
193: ok 11431
193: ok 11432
193: ok 11433
193: ok 11434
193: ok 11435
193: ok 11436
193: ok 11437
193: ok 11438
193: ok 11439
193: ok 11440
193: ok 11441
193: ok 11442
193: ok 11443
193: ok 11444
193: ok 11445
193: ok 11446
193: ok 11447
193: ok 11448
193: ok 11449
193: ok 11450
193: ok 11451
193: ok 11452
193: ok 11453
193: ok 11454
193: ok 11455
193: ok 11456
193: ok 11457
193: ok 11458
193: ok 11459
193: ok 11460
193: ok 11461
193: ok 11462
193: ok 11463
193: ok 11464
193: ok 11465
193: ok 11466
193: ok 11467
193: ok 11468
193: ok 11469
193: ok 11470
193: ok 11471
193: ok 11472
193: ok 11473
193: ok 11474
193: ok 11475
193: ok 11476
193: ok 11477
193: ok 11478
193: ok 11479
193: ok 11480
193: ok 11481
193: ok 11482
193: ok 11483
193: ok 11484
193: ok 11485
193: ok 11486
193: ok 11487
193: ok 11488
193: ok 11489
193: ok 11490
193: ok 11491
193: ok 11492
193: ok 11493
193: ok 11494
193: ok 11495
193: ok 11496
193: ok 11497
193: ok 11498
193: ok 11499
193: ok 11500
193: ok 11501
193: ok 11502
193: ok 11503
193: ok 11504
193: ok 11505
193: ok 11506
193: ok 11507
193: ok 11508
193: ok 11509
193: ok 11510
193: ok 11511
193: ok 11512
193: ok 11513
193: ok 11514
193: ok 11515
193: ok 11516
193: ok 11517
193: ok 11518
193: ok 11519
193: ok 11520
193: ok 11521
193: ok 11522
193: ok 11523
193: ok 11524
193: ok 11525
193: ok 11526
193: ok 11527
193: ok 11528
193: ok 11529
193: ok 11530
193: ok 11531
193: ok 11532
193: ok 11533
193: ok 11534
193: ok 11535
193: ok 11536
193: ok 11537
193: ok 11538
193: ok 11539
193: ok 11540
193: ok 11541
193: ok 11542
193: ok 11543
193: ok 11544
193: ok 11545
193: ok 11546
193: ok 11547
193: ok 11548
193: ok 11549
193: ok 11550
193: ok 11551
193: ok 11552
193: ok 11553
193: ok 11554
193: ok 11555
193: ok 11556
193: ok 11557
193: ok 11558
193: ok 11559
193: ok 11560
193: ok 11561
193: ok 11562
193: ok 11563
193: ok 11564
193: ok 11565
193: ok 11566
193: ok 11567
193: ok 11568
193: ok 11569
193: ok 11570
193: ok 11571
193: ok 11572
193: ok 11573
193: ok 11574
193: ok 11575
193: ok 11576
193: ok 11577
193: ok 11578
193: ok 11579
193: ok 11580
193: ok 11581
193: ok 11582
193: ok 11583
193: ok 11584
193: ok 11585
193: ok 11586
193: ok 11587
193: ok 11588
193: ok 11589
193: ok 11590
193: ok 11591
193: ok 11592
193: ok 11593
193: ok 11594
193: ok 11595
193: ok 11596
193: ok 11597
193: ok 11598
193: ok 11599
193: ok 11600
193: ok 11601
193: ok 11602
193: ok 11603
193: ok 11604
193: ok 11605
193: ok 11606
193: ok 11607
193: ok 11608
193: ok 11609
193: ok 11610
193: ok 11611
193: ok 11612
193: ok 11613
193: ok 11614
193: ok 11615
193: ok 11616
193: ok 11617
193: ok 11618
193: ok 11619
193: ok 11620
193: ok 11621
193: ok 11622
193: ok 11623
193: ok 11624
193: ok 11625
193: ok 11626
193: ok 11627
193: ok 11628
193: ok 11629
193: ok 11630
193: ok 11631
193: ok 11632
193: ok 11633
193: ok 11634
193: ok 11635
193: ok 11636
193: ok 11637
193: ok 11638
193: ok 11639
193: ok 11640
193: ok 11641
193: ok 11642
193: ok 11643
193: ok 11644
193: ok 11645
193: ok 11646
193: ok 11647
193: ok 11648
193: ok 11649
193: ok 11650
193: ok 11651
193: ok 11652
193: ok 11653
193: ok 11654
193: ok 11655
193: ok 11656
193: ok 11657
193: ok 11658
193: ok 11659
193: ok 11660
193: ok 11661
193: ok 11662
193: ok 11663
193: ok 11664
193: ok 11665
193: ok 11666
193: ok 11667
193: ok 11668
193: ok 11669
193: ok 11670
193: ok 11671
193: ok 11672
193: ok 11673
193: ok 11674
193: ok 11675
193: ok 11676
193: ok 11677
193: ok 11678
193: ok 11679
193: ok 11680
193: ok 11681
193: ok 11682
193: ok 11683
193: ok 11684
193: ok 11685
193: ok 11686
193: ok 11687
193: ok 11688
193: ok 11689
193: ok 11690
193: ok 11691
193: ok 11692
193: ok 11693
193: ok 11694
193: ok 11695
193: ok 11696
193: ok 11697
193: ok 11698
193: ok 11699
193: ok 11700
193: ok 11701
193: ok 11702
193: ok 11703
193: ok 11704
193: ok 11705
193: ok 11706
193: ok 11707
193: ok 11708
193: ok 11709
193: ok 11710
193: ok 11711
193: ok 11712
193: ok 11713
193: ok 11714
193: ok 11715
193: ok 11716
193: ok 11717
193: ok 11718
193: ok 11719
193: ok 11720
193: ok 11721
193: ok 11722
193: ok 11723
193: ok 11724
193: ok 11725
193: ok 11726
193: ok 11727
193: ok 11728
193: ok 11729
193: ok 11730
193: ok 11731
193: ok 11732
193: ok 11733
193: ok 11734
193: ok 11735
193: ok 11736
193: ok 11737
193: ok 11738
193: ok 11739
193: ok 11740
193: ok 11741
193: ok 11742
193: ok 11743
193: ok 11744
193: ok 11745
193: ok 11746
193: ok 11747
193: ok 11748
193: ok 11749
193: ok 11750
193: ok 11751
193: ok 11752
193: ok 11753
193: ok 11754
193: ok 11755
193: ok 11756
193: ok 11757
193: ok 11758
193: ok 11759
193: ok 11760
193: ok 11761
193: ok 11762
193: ok 11763
193: ok 11764
193: ok 11765
193: ok 11766
193: ok 11767
193: ok 11768
193: ok 11769
193: ok 11770
193: ok 11771
193: ok 11772
193: ok 11773
193: ok 11774
193: ok 11775
193: ok 11776
193: ok 11777
193: ok 11778
193: ok 11779
193: ok 11780
193: ok 11781
193: ok 11782
193: ok 11783
193: ok 11784
193: ok 11785
193: ok 11786
193: ok 11787
193: ok 11788
193: ok 11789
193: ok 11790
193: ok 11791
193: ok 11792
193: ok 11793
193: ok 11794
193: ok 11795
193: ok 11796
193: ok 11797
193: ok 11798
193: ok 11799
193: ok 11800
193: ok 11801
193: ok 11802
193: ok 11803
193: ok 11804
193: ok 11805
193: ok 11806
193: ok 11807
193: ok 11808
193: ok 11809
193: ok 11810
193: ok 11811
193: ok 11812
193: ok 11813
193: ok 11814
193: ok 11815
193: ok 11816
193: ok 11817
193: ok 11818
193: ok 11819
193: ok 11820
193: ok 11821
193: ok 11822
193: ok 11823
193: ok 11824
193: ok 11825
193: ok 11826
193: ok 11827
193: ok 11828
193: ok 11829
193: ok 11830
193: ok 11831
193: ok 11832
193: ok 11833
193: ok 11834
193: ok 11835
193: ok 11836
193: ok 11837
193: ok 11838
193: ok 11839
193: ok 11840
193: ok 11841
193: ok 11842
193: ok 11843
193: ok 11844
193: ok 11845
193: ok 11846
193: ok 11847
193: ok 11848
193: ok 11849
193: ok 11850
193: ok 11851
193: ok 11852
193: ok 11853
193: ok 11854
193: ok 11855
193: ok 11856
193: ok 11857
193: ok 11858
193: ok 11859
193: ok 11860
193: ok 11861
193: ok 11862
193: ok 11863
193: ok 11864
193: ok 11865
193: ok 11866
193: ok 11867
193: ok 11868
193: ok 11869
193: ok 11870
193: ok 11871
193: ok 11872
193: ok 11873
193: ok 11874
193: ok 11875
193: ok 11876
193: ok 11877
193: ok 11878
193: ok 11879
193: ok 11880
193: ok 11881
193: ok 11882
193: ok 11883
193: ok 11884
193: ok 11885
193: ok 11886
193: ok 11887
193: ok 11888
193: ok 11889
193: ok 11890
193: ok 11891
193: ok 11892
193: ok 11893
193: ok 11894
193: ok 11895
193: ok 11896
193: ok 11897
193: ok 11898
193: ok 11899
193: ok 11900
193: ok 11901
193: ok 11902
193: ok 11903
193: ok 11904
193: ok 11905
193: ok 11906
193: ok 11907
193: ok 11908
193: ok 11909
193: ok 11910
193: ok 11911
193: ok 11912
193: ok 11913
193: ok 11914
193: ok 11915
193: ok 11916
193: ok 11917
193: ok 11918
193: ok 11919
193: ok 11920
193: ok 11921
193: ok 11922
193: ok 11923
193: ok 11924
193: ok 11925
193: ok 11926
193: ok 11927
193: ok 11928
193: ok 11929
193: ok 11930
193: ok 11931
193: ok 11932
193: ok 11933
193: ok 11934
193: ok 11935
193: ok 11936
193: ok 11937
193: ok 11938
193: ok 11939
193: ok 11940
193: ok 11941
193: ok 11942
193: ok 11943
193: ok 11944
193: ok 11945
193: ok 11946
193: ok 11947
193: ok 11948
193: ok 11949
193: ok 11950
193: ok 11951
193: ok 11952
193: ok 11953
193: ok 11954
193: ok 11955
193: ok 11956
193: ok 11957
193: ok 11958
193: ok 11959
193: ok 11960
193: ok 11961
193: ok 11962
193: ok 11963
193: ok 11964
193: ok 11965
193: ok 11966
193: ok 11967
193: ok 11968
193: ok 11969
193: ok 11970
193: ok 11971
193: ok 11972
193: ok 11973
193: ok 11974
193: ok 11975
193: ok 11976
193: ok 11977
193: ok 11978
193: ok 11979
193: ok 11980
193: ok 11981
193: ok 11982
193: ok 11983
193: ok 11984
193: ok 11985
193: ok 11986
193: ok 11987
193: ok 11988
193: ok 11989
193: ok 11990
193: ok 11991
193: ok 11992
193: ok 11993
193: ok 11994
193: ok 11995
193: ok 11996
193: ok 11997
193: ok 11998
193: ok 11999
193: ok 12000
193: ok 12001
193: ok 12002
193: ok 12003
193: ok 12004
193: ok 12005
193: ok 12006
193: ok 12007
193: ok 12008
193: ok 12009
193: ok 12010
193: ok 12011
193: ok 12012
193: ok 12013
193: ok 12014
193: ok 12015
193: ok 12016
193: ok 12017
193: ok 12018
193: ok 12019
193: ok 12020
193: ok 12021
193: ok 12022
193: ok 12023
193: ok 12024
193: ok 12025
193: ok 12026
193: ok 12027
193: ok 12028
193: ok 12029
193: ok 12030
193: ok 12031
193: ok 12032
193: ok 12033
193: ok 12034
193: ok 12035
193: ok 12036
193: ok 12037
193: ok 12038
193: ok 12039
193: ok 12040
193: ok 12041
193: ok 12042
193: ok 12043
193: ok 12044
193: ok 12045
193: ok 12046
193: ok 12047
193: ok 12048
193: ok 12049
193: ok 12050
193: ok 12051
193: ok 12052
193: ok 12053
193: ok 12054
193: ok 12055
193: ok 12056
193: ok 12057
193: ok 12058
193: ok 12059
193: ok 12060
193: ok 12061
193: ok 12062
193: ok 12063
193: ok 12064
193: ok 12065
193: ok 12066
193: ok 12067
193: ok 12068
193: ok 12069
193: ok 12070
193: ok 12071
193: ok 12072
193: ok 12073
193: ok 12074
193: ok 12075
193: ok 12076
193: ok 12077
193: ok 12078
193: ok 12079
193: ok 12080
193: ok 12081
193: ok 12082
193: ok 12083
193: ok 12084
193: ok 12085
193: ok 12086
193: ok 12087
193: ok 12088
193: ok 12089
193: ok 12090
193: ok 12091
193: ok 12092
193: ok 12093
193: ok 12094
193: ok 12095
193: ok 12096
193: ok 12097
193: ok 12098
193: ok 12099
193: ok 12100
193: ok 12101
193: ok 12102
193: ok 12103
193: ok 12104
193: ok 12105
193: ok 12106
193: ok 12107
193: ok 12108
193: ok 12109
193: ok 12110
193: ok 12111
193: ok 12112
193: ok 12113
193: ok 12114
193: ok 12115
193: ok 12116
193: ok 12117
193: ok 12118
193: ok 12119
193: ok 12120
193: ok 12121
193: ok 12122
193: ok 12123
193: ok 12124
193: ok 12125
193: ok 12126
193: ok 12127
193: ok 12128
193: ok 12129
193: ok 12130
193: ok 12131
193: ok 12132
193: ok 12133
193: ok 12134
193: ok 12135
193: ok 12136
193: ok 12137
193: ok 12138
193: ok 12139
193: ok 12140
193: ok 12141
193: ok 12142
193: ok 12143
193: ok 12144
193: ok 12145
193: ok 12146
193: ok 12147
193: ok 12148
193: ok 12149
193: ok 12150
193: ok 12151
193: ok 12152
193: ok 12153
193: ok 12154
193: ok 12155
193: ok 12156
193: ok 12157
193: ok 12158
193: ok 12159
193: ok 12160
193: ok 12161
193: ok 12162
193: ok 12163
193: ok 12164
193: ok 12165
193: ok 12166
193: ok 12167
193: ok 12168
193: ok 12169
193: ok 12170
193: ok 12171
193: ok 12172
193: ok 12173
193: ok 12174
193: ok 12175
193: ok 12176
193: ok 12177
193: ok 12178
193: ok 12179
193: ok 12180
193: ok 12181
193: ok 12182
193: ok 12183
193: ok 12184
193: ok 12185
193: ok 12186
193: ok 12187
193: ok 12188
193: ok 12189
193: ok 12190
193: ok 12191
193: ok 12192
193: ok 12193
193: ok 12194
193: ok 12195
193: ok 12196
193: ok 12197
193: ok 12198
193: ok 12199
193: ok 12200
193: ok 12201
193: ok 12202
193: ok 12203
193: ok 12204
193: ok 12205
193: ok 12206
193: ok 12207
193: ok 12208
193: ok 12209
193: ok 12210
193: ok 12211
193: ok 12212
193: ok 12213
193: ok 12214
193: ok 12215
193: ok 12216
193: ok 12217
193: ok 12218
193: ok 12219
193: ok 12220
193: ok 12221
193: ok 12222
193: ok 12223
193: ok 12224
193: ok 12225
193: ok 12226
193: ok 12227
193: ok 12228
193: ok 12229
193: ok 12230
193: ok 12231
193: ok 12232
193: ok 12233
193: ok 12234
193: ok 12235
193: ok 12236
193: ok 12237
193: ok 12238
193: ok 12239
193: ok 12240
193: ok 12241
193: ok 12242
193: ok 12243
193: ok 12244
193: ok 12245
193: ok 12246
193: ok 12247
193: ok 12248
193: ok 12249
193: ok 12250
193: ok 12251
193: ok 12252
193: ok 12253
193: ok 12254
193: ok 12255
193: ok 12256
193: ok 12257
193: ok 12258
193: ok 12259
193: ok 12260
193: ok 12261
193: ok 12262
193: ok 12263
193: ok 12264
193: ok 12265
193: ok 12266
193: ok 12267
193: ok 12268
193: ok 12269
193: ok 12270
193: ok 12271
193: ok 12272
193: ok 12273
193: ok 12274
193: ok 12275
193: ok 12276
193: ok 12277
193: ok 12278
193: ok 12279
193: ok 12280
193: ok 12281
193: ok 12282
193: ok 12283
193: ok 12284
193: ok 12285
193: ok 12286
193: ok 12287
193: ok 12288
193: ok 12289
193: ok 12290
193: ok 12291
193: ok 12292
193: ok 12293
193: ok 12294
193: ok 12295
193: ok 12296
193: ok 12297
193: ok 12298
193: ok 12299
193: ok 12300
193: ok 12301
193: ok 12302
193: ok 12303
193: ok 12304
193: ok 12305
193: ok 12306
193: ok 12307
193: ok 12308
193: ok 12309
193: ok 12310
193: ok 12311
193: ok 12312
193: ok 12313
193: ok 12314
193: ok 12315
193: ok 12316
193: ok 12317
193: ok 12318
193: ok 12319
193: ok 12320
193: ok 12321
193: ok 12322
193: ok 12323
193: ok 12324
193: ok 12325
193: ok 12326
193: ok 12327
193: ok 12328
193: ok 12329
193: ok 12330
193: ok 12331
193: ok 12332
193: ok 12333
193: ok 12334
193: ok 12335
193: ok 12336
193: ok 12337
193: ok 12338
193: ok 12339
193: ok 12340
193: ok 12341
193: ok 12342
193: ok 12343
193: ok 12344
193: ok 12345
193: ok 12346
193: ok 12347
193: ok 12348
193: ok 12349
193: ok 12350
193: ok 12351
193: ok 12352
193: ok 12353
193: ok 12354
193: ok 12355
193: ok 12356
193: ok 12357
193: ok 12358
193: ok 12359
193: ok 12360
193: ok 12361
193: ok 12362
193: ok 12363
193: ok 12364
193: ok 12365
193: ok 12366
193: ok 12367
193: ok 12368
193: ok 12369
193: ok 12370
193: ok 12371
193: ok 12372
193: ok 12373
193: ok 12374
193: ok 12375
193: ok 12376
193: ok 12377
193: ok 12378
193: ok 12379
193: ok 12380
193: ok 12381
193: ok 12382
193: ok 12383
193: ok 12384
193: ok 12385
193: ok 12386
193: ok 12387
193: ok 12388
193: ok 12389
193: ok 12390
193: ok 12391
193: ok 12392
193: ok 12393
193: ok 12394
193: ok 12395
193: ok 12396
193: ok 12397
193: ok 12398
193: ok 12399
193: ok 12400
193: ok 12401
193: ok 12402
193: ok 12403
193: ok 12404
193: ok 12405
193: ok 12406
193: ok 12407
193: ok 12408
193: ok 12409
193: ok 12410
193: ok 12411
193: ok 12412
193: ok 12413
193: ok 12414
193: ok 12415
193: ok 12416
193: ok 12417
193: ok 12418
193: ok 12419
193: ok 12420
193: ok 12421
193: ok 12422
193: ok 12423
193: ok 12424
193: ok 12425
193: ok 12426
193: ok 12427
193: ok 12428
193: ok 12429
193: ok 12430
193: ok 12431
193: ok 12432
193: ok 12433
193: ok 12434
193: ok 12435
193: ok 12436
193: ok 12437
193: ok 12438
193: ok 12439
193: ok 12440
193: ok 12441
193: ok 12442
193: ok 12443
193: ok 12444
193: ok 12445
193: ok 12446
193: ok 12447
193: ok 12448
193: ok 12449
193: ok 12450
193: ok 12451
193: ok 12452
193: ok 12453
193: ok 12454
193: ok 12455
193: ok 12456
193: ok 12457
193: ok 12458
193: ok 12459
193: ok 12460
193: ok 12461
193: ok 12462
193: ok 12463
193: ok 12464
193: ok 12465
193: ok 12466
193: ok 12467
193: ok 12468
193: ok 12469
193: ok 12470
193: ok 12471
193: ok 12472
193: ok 12473
193: ok 12474
193: ok 12475
193: ok 12476
193: ok 12477
193: ok 12478
193: ok 12479
193: ok 12480
193: ok 12481
193: ok 12482
193: ok 12483
193: ok 12484
193: ok 12485
193: ok 12486
193: ok 12487
193: ok 12488
193: ok 12489
193: ok 12490
193: ok 12491
193: ok 12492
193: ok 12493
193: ok 12494
193: ok 12495
193: ok 12496
193: ok 12497
193: ok 12498
193: ok 12499
193: ok 12500
193: ok 12501
193: ok 12502
193: ok 12503
193: ok 12504
193: ok 12505
193: ok 12506
193: ok 12507
193: ok 12508
193: ok 12509
193: ok 12510
193: ok 12511
193: ok 12512
193: ok 12513
193: ok 12514
193: ok 12515
193: ok 12516
193: ok 12517
193: ok 12518
193: ok 12519
193: ok 12520
193: ok 12521
193: ok 12522
193: ok 12523
193: ok 12524
193: ok 12525
193: ok 12526
193: ok 12527
193: ok 12528
193: ok 12529
193: ok 12530
193: ok 12531
193: ok 12532
193: ok 12533
193: ok 12534
193: ok 12535
193: ok 12536
193: ok 12537
193: ok 12538
193: ok 12539
193: ok 12540
193: ok 12541
193: ok 12542
193: ok 12543
193: ok 12544
193: ok 12545
193: ok 12546
193: ok 12547
193: ok 12548
193: ok 12549
193: ok 12550
193: ok 12551
193: ok 12552
193: ok 12553
193: ok 12554
193: ok 12555
193: ok 12556
193: ok 12557
193: ok 12558
193: ok 12559
193: ok 12560
193: ok 12561
193: ok 12562
193: ok 12563
193: ok 12564
193: ok 12565
193: ok 12566
193: ok 12567
193: ok 12568
193: ok 12569
193: ok 12570
193: ok 12571
193: ok 12572
193: ok 12573
193: ok 12574
193: ok 12575
193: ok 12576
193: ok 12577
193: ok 12578
193: ok 12579
193: ok 12580
193: ok 12581
193: ok 12582
193: ok 12583
193: ok 12584
193: ok 12585
193: ok 12586
193: ok 12587
193: ok 12588
193: ok 12589
193: ok 12590
193: ok 12591
193: ok 12592
193: ok 12593
193: ok 12594
193: ok 12595
193: ok 12596
193: ok 12597
193: ok 12598
193: ok 12599
193: ok 12600
193: ok 12601
193: ok 12602
193: ok 12603
193: ok 12604
193: ok 12605
193: ok 12606
193: ok 12607
193: ok 12608
193: ok 12609
193: ok 12610
193: ok 12611
193: ok 12612
193: ok 12613
193: ok 12614
193: ok 12615
193: ok 12616
193: ok 12617
193: ok 12618
193: ok 12619
193: ok 12620
193: ok 12621
193: ok 12622
193: ok 12623
193: ok 12624
193: ok 12625
193: ok 12626
193: ok 12627
193: ok 12628
193: ok 12629
193: ok 12630
193: ok 12631
193: ok 12632
193: ok 12633
193: ok 12634
193: ok 12635
193: ok 12636
193: ok 12637
193: ok 12638
193: ok 12639
193: ok 12640
193: ok 12641
193: ok 12642
193: ok 12643
193: ok 12644
193: ok 12645
193: ok 12646
193: ok 12647
193: ok 12648
193: ok 12649
193: ok 12650
193: ok 12651
193: ok 12652
193: ok 12653
193: ok 12654
193: ok 12655
193: ok 12656
193: ok 12657
193: ok 12658
193: ok 12659
193: ok 12660
193: ok 12661
193: ok 12662
193: ok 12663
193: ok 12664
193: ok 12665
193: ok 12666
193: ok 12667
193: ok 12668
193: ok 12669
193: ok 12670
193: ok 12671
193: ok 12672
193: ok 12673
193: ok 12674
193: ok 12675
193: ok 12676
193: ok 12677
193: ok 12678
193: ok 12679
193: ok 12680
193: ok 12681
193: ok 12682
193: ok 12683
193: ok 12684
193: ok 12685
193: ok 12686
193: ok 12687
193: ok 12688
193: ok 12689
193: ok 12690
193: ok 12691
193: ok 12692
193: ok 12693
193: ok 12694
193: ok 12695
193: ok 12696
193: ok 12697
193: ok 12698
193: ok 12699
193: ok 12700
193: ok 12701
193: ok 12702
193: ok 12703
193: ok 12704
193: ok 12705
193: ok 12706
193: ok 12707
193: ok 12708
193: ok 12709
193: ok 12710
193: ok 12711
193: ok 12712
193: ok 12713
193: ok 12714
193: ok 12715
193: ok 12716
193: ok 12717
193: ok 12718
193: ok 12719
193: ok 12720
193: ok 12721
193: ok 12722
193: ok 12723
193: ok 12724
193: ok 12725
193: ok 12726
193: ok 12727
193: ok 12728
193: ok 12729
193: ok 12730
193: ok 12731
193: ok 12732
193: ok 12733
193: ok 12734
193: ok 12735
193: ok 12736
193: ok 12737
193: ok 12738
193: ok 12739
193: ok 12740
193: ok 12741
193: ok 12742
193: ok 12743
193: ok 12744
193: ok 12745
193: ok 12746
193: ok 12747
193: ok 12748
193: ok 12749
193: ok 12750
193: ok 12751
193: ok 12752
193: ok 12753
193: ok 12754
193: ok 12755
193: ok 12756
193: ok 12757
193: ok 12758
193: ok 12759
193: ok 12760
193: ok 12761
193: ok 12762
193: ok 12763
193: ok 12764
193: ok 12765
193: ok 12766
193: ok 12767
193: ok 12768
193: ok 12769
193: ok 12770
193: ok 12771
193: ok 12772
193: ok 12773
193: ok 12774
193: ok 12775
193: ok 12776
193: ok 12777
193: ok 12778
193: ok 12779
193: ok 12780
193: ok 12781
193: ok 12782
193: ok 12783
193: ok 12784
193: ok 12785
193: ok 12786
193: ok 12787
193: ok 12788
193: ok 12789
193: ok 12790
193: ok 12791
193: ok 12792
193: ok 12793
193: ok 12794
193: ok 12795
193: ok 12796
193: ok 12797
193: ok 12798
193: ok 12799
193: ok 12800
193: ok 12801
193: ok 12802
193: ok 12803
193: ok 12804
193: ok 12805
193: ok 12806
193: ok 12807
193: ok 12808
193: ok 12809
193: ok 12810
193: ok 12811
193: ok 12812
193: ok 12813
193: ok 12814
193: ok 12815
193: ok 12816
193: ok 12817
193: ok 12818
193: ok 12819
193: ok 12820
193: ok 12821
193: ok 12822
193: ok 12823
193: ok 12824
193: ok 12825
193: ok 12826
193: ok 12827
193: ok 12828
193: ok 12829
193: ok 12830
193: ok 12831
193: ok 12832
193: ok 12833
193: ok 12834
193: ok 12835
193: ok 12836
193: ok 12837
193: ok 12838
193: ok 12839
193: ok 12840
193: ok 12841
193: ok 12842
193: ok 12843
193: ok 12844
193: ok 12845
193: ok 12846
193: ok 12847
193: ok 12848
193: ok 12849
193: ok 12850
193: ok 12851
193: ok 12852
193: ok 12853
193: ok 12854
193: ok 12855
193: ok 12856
193: ok 12857
193: ok 12858
193: ok 12859
193: ok 12860
193: ok 12861
193: ok 12862
193: ok 12863
193: ok 12864
193: ok 12865
193: ok 12866
193: ok 12867
193: ok 12868
193: ok 12869
193: ok 12870
193: ok 12871
193: ok 12872
193: ok 12873
193: ok 12874
193: ok 12875
193: ok 12876
193: ok 12877
193: ok 12878
193: ok 12879
193: ok 12880
193: ok 12881
193: ok 12882
193: ok 12883
193: ok 12884
193: ok 12885
193: ok 12886
193: ok 12887
193: ok 12888
193: ok 12889
193: ok 12890
193: ok 12891
193: ok 12892
193: ok 12893
193: ok 12894
193: ok 12895
193: ok 12896
193: ok 12897
193: ok 12898
193: ok 12899
193: ok 12900
193: ok 12901
193: ok 12902
193: ok 12903
193: ok 12904
193: ok 12905
193: ok 12906
193: ok 12907
193: ok 12908
193: ok 12909
193: ok 12910
193: ok 12911
193: ok 12912
193: ok 12913
193: ok 12914
193: ok 12915
193: ok 12916
193: ok 12917
193: ok 12918
193: ok 12919
193: ok 12920
193: ok 12921
193: ok 12922
193: ok 12923
193: ok 12924
193: ok 12925
193: ok 12926
193: ok 12927
193: ok 12928
193: ok 12929
193: ok 12930
193: ok 12931
193: ok 12932
193: ok 12933
193: ok 12934
193: ok 12935
193: ok 12936
193: ok 12937
193: ok 12938
193: ok 12939
193: ok 12940
193: ok 12941
193: ok 12942
193: ok 12943
193: ok 12944
193: ok 12945
193: ok 12946
193: ok 12947
193: ok 12948
193: ok 12949
193: ok 12950
193: ok 12951
193: ok 12952
193: ok 12953
193: ok 12954
193: ok 12955
193: ok 12956
193: ok 12957
193: ok 12958
193: ok 12959
193: ok 12960
193: ok 12961
193: ok 12962
193: ok 12963
193: ok 12964
193: ok 12965
193: ok 12966
193: ok 12967
193: ok 12968
193: ok 12969
193: ok 12970
193: ok 12971
193: ok 12972
193: ok 12973
193: ok 12974
193: ok 12975
193: ok 12976
193: ok 12977
193: ok 12978
193: ok 12979
193: ok 12980
193: ok 12981
193: ok 12982
193: ok 12983
193: ok 12984
193: ok 12985
193: ok 12986
193: ok 12987
193: ok 12988
193: ok 12989
193: ok 12990
193: ok 12991
193: ok 12992
193: ok 12993
193: ok 12994
193: ok 12995
193: ok 12996
193: ok 12997
193: ok 12998
193: ok 12999
193: ok 13000
193: ok 13001
193: ok 13002
193: ok 13003
193: ok 13004
193: ok 13005
193: ok 13006
193: ok 13007
193: ok 13008
193: ok 13009
193: ok 13010
193: ok 13011
193: ok 13012
193: ok 13013
193: ok 13014
193: ok 13015
193: ok 13016
193: ok 13017
193: ok 13018
193: ok 13019
193: ok 13020
193: ok 13021
193: ok 13022
193: ok 13023
193: ok 13024
193: ok 13025
193: ok 13026
193: ok 13027
193: ok 13028
193: ok 13029
193: ok 13030
193: ok 13031
193: ok 13032
193: ok 13033
193: ok 13034
193: ok 13035
193: ok 13036
193: ok 13037
193: ok 13038
193: ok 13039
193: ok 13040
193: ok 13041
193: ok 13042
193: ok 13043
193: ok 13044
193: ok 13045
193: ok 13046
193: ok 13047
193: ok 13048
193: ok 13049
193: ok 13050
193: ok 13051
193: ok 13052
193: ok 13053
193: ok 13054
193: ok 13055
193: ok 13056
193: ok 13057
193: ok 13058
193: ok 13059
193: ok 13060
193: ok 13061
193: ok 13062
193: ok 13063
193: ok 13064
193: ok 13065
193: ok 13066
193: ok 13067
193: ok 13068
193: ok 13069
193: ok 13070
193: ok 13071
193: ok 13072
193: ok 13073
193: ok 13074
193: ok 13075
193: ok 13076
193: ok 13077
193: ok 13078
193: ok 13079
193: ok 13080
193: ok 13081
193: ok 13082
193: ok 13083
193: ok 13084
193: ok 13085
193: ok 13086
193: ok 13087
193: ok 13088
193: ok 13089
193: ok 13090
193: ok 13091
193: ok 13092
193: ok 13093
193: ok 13094
193: ok 13095
193: ok 13096
193: ok 13097
193: ok 13098
193: ok 13099
193: ok 13100
193: ok 13101
193: ok 13102
193: ok 13103
193: ok 13104
193: ok 13105
193: ok 13106
193: ok 13107
193: ok 13108
193: ok 13109
193: ok 13110
193: ok 13111
193: ok 13112
193: ok 13113
193: ok 13114
193: ok 13115
193: ok 13116
193: ok 13117
193: ok 13118
193: ok 13119
193: ok 13120
193: ok 13121
193: ok 13122
193: ok 13123
193: ok 13124
193: ok 13125
193: ok 13126
193: ok 13127
193: ok 13128
193: ok 13129
193: ok 13130
193: ok 13131
193: ok 13132
193: ok 13133
193: ok 13134
193: ok 13135
193: ok 13136
193: ok 13137
193: ok 13138
193: ok 13139
193: ok 13140
193: ok 13141
193: ok 13142
193: ok 13143
193: ok 13144
193: ok 13145
193: ok 13146
193: ok 13147
193: ok 13148
193: ok 13149
193: ok 13150
193: ok 13151
193: ok 13152
193: ok 13153
193: ok 13154
193: ok 13155
193: ok 13156
193: ok 13157
193: ok 13158
193: ok 13159
193: ok 13160
193: ok 13161
193: ok 13162
193: ok 13163
193: ok 13164
193: ok 13165
193: ok 13166
193: ok 13167
193: ok 13168
193: ok 13169
193: ok 13170
193: ok 13171
193: ok 13172
193: ok 13173
193: ok 13174
193: ok 13175
193: ok 13176
193: ok 13177
193: ok 13178
193: ok 13179
193: ok 13180
193: ok 13181
193: ok 13182
193: ok 13183
193: ok 13184
193: ok 13185
193: ok 13186
193: ok 13187
193: ok 13188
193: ok 13189
193: ok 13190
193: ok 13191
193: ok 13192
193: ok 13193
193: ok 13194
193: ok 13195
193: ok 13196
193: ok 13197
193: ok 13198
193: ok 13199
193: ok 13200
193: ok 13201
193: ok 13202
193: ok 13203
193: ok 13204
193: ok 13205
193: ok 13206
193: ok 13207
193: ok 13208
193: ok 13209
193: ok 13210
193: ok 13211
193: ok 13212
193: ok 13213
193: ok 13214
193: ok 13215
193: ok 13216
193: ok 13217
193: ok 13218
193: ok 13219
193: ok 13220
193: ok 13221
193: ok 13222
193: ok 13223
193: ok 13224
193: ok 13225
193: ok 13226
193: ok 13227
193: ok 13228
193: ok 13229
193: ok 13230
193: ok 13231
193: ok 13232
193: ok 13233
193: ok 13234
193: ok 13235
193: ok 13236
193: ok 13237
193: ok 13238
193: ok 13239
193: ok 13240
193: ok 13241
193: ok 13242
193: ok 13243
193: ok 13244
193: ok 13245
193: ok 13246
193: ok 13247
193: ok 13248
193: ok 13249
193: ok 13250
193: ok 13251
193: ok 13252
193: ok 13253
193: ok 13254
193: ok 13255
193: ok 13256
193: ok 13257
193: ok 13258
193: ok 13259
193: ok 13260
193: ok 13261
193: ok 13262
193: ok 13263
193: ok 13264
193: ok 13265
193: ok 13266
193: ok 13267
193: ok 13268
193: ok 13269
193: ok 13270
193: ok 13271
193: ok 13272
193: ok 13273
193: ok 13274
193: ok 13275
193: ok 13276
193: ok 13277
193: ok 13278
193: ok 13279
193: ok 13280
193: ok 13281
193: ok 13282
193: ok 13283
193: ok 13284
193: ok 13285
193: ok 13286
193: ok 13287
193: ok 13288
193: ok 13289
193: ok 13290
193: ok 13291
193: ok 13292
193: ok 13293
193: ok 13294
193: ok 13295
193: ok 13296
193: ok 13297
193: ok 13298
193: ok 13299
193: ok 13300
193: ok 13301
193: ok 13302
193: ok 13303
193: ok 13304
193: ok 13305
193: ok 13306
193: ok 13307
193: ok 13308
193: ok 13309
193: ok 13310
193: ok 13311
193: ok 13312
193: ok 13313
193: ok 13314
193: ok 13315
193: ok 13316
193: ok 13317
193: ok 13318
193: ok 13319
193: ok 13320
193: ok 13321
193: ok 13322
193: ok 13323
193: ok 13324
193: ok 13325
193: ok 13326
193: ok 13327
193: ok 13328
193: ok 13329
193: ok 13330
193: ok 13331
193: ok 13332
193: ok 13333
193: ok 13334
193: ok 13335
193: ok 13336
193: ok 13337
193: ok 13338
193: ok 13339
193: ok 13340
193: ok 13341
193: ok 13342
193: ok 13343
193: ok 13344
193: ok 13345
193: ok 13346
193: ok 13347
193: ok 13348
193: ok 13349
193: ok 13350
193: ok 13351
193: ok 13352
193: ok 13353
193: ok 13354
193: ok 13355
193: ok 13356
193: ok 13357
193: ok 13358
193: ok 13359
193: ok 13360
193: ok 13361
193: ok 13362
193: ok 13363
193: ok 13364
193: ok 13365
193: ok 13366
193: ok 13367
193: ok 13368
193: ok 13369
193: ok 13370
193: ok 13371
193: ok 13372
193: ok 13373
193: ok 13374
193: ok 13375
193: ok 13376
193: ok 13377
193: ok 13378
193: ok 13379
193: ok 13380
193: ok 13381
193: ok 13382
193: ok 13383
193: ok 13384
193: ok 13385
193: ok 13386
193: ok 13387
193: ok 13388
193: ok 13389
193: ok 13390
193: ok 13391
193: ok 13392
193: ok 13393
193: ok 13394
193: ok 13395
193: ok 13396
193: ok 13397
193: ok 13398
193: ok 13399
193: ok 13400
193: ok 13401
193: ok 13402
193: ok 13403
193: ok 13404
193: ok 13405
193: ok 13406
193: ok 13407
193: ok 13408
193: ok 13409
193: ok 13410
193: ok 13411
193: ok 13412
193: ok 13413
193: ok 13414
193: ok 13415
193: ok 13416
193: ok 13417
193: ok 13418
193: ok 13419
193: ok 13420
193: ok 13421
193: ok 13422
193: ok 13423
193: ok 13424
193: ok 13425
193: ok 13426
193: ok 13427
193: ok 13428
193: ok 13429
193: ok 13430
193: ok 13431
193: ok 13432
193: ok 13433
193: ok 13434
193: ok 13435
193: ok 13436
193: ok 13437
193: ok 13438
193: ok 13439
193: ok 13440
193: ok 13441
193: ok 13442
193: ok 13443
193: ok 13444
193: ok 13445
193: ok 13446
193: ok 13447
193: ok 13448
193: ok 13449
193: ok 13450
193: ok 13451
193: ok 13452
193: ok 13453
193: ok 13454
193: ok 13455
193: ok 13456
193: ok 13457
193: ok 13458
193: ok 13459
193: ok 13460
193: ok 13461
193: ok 13462
193: ok 13463
193: ok 13464
193: ok 13465
193: ok 13466
193: ok 13467
193: ok 13468
193: ok 13469
193: ok 13470
193: ok 13471
193: ok 13472
193: ok 13473
193: ok 13474
193: ok 13475
193: ok 13476
193: ok 13477
193: ok 13478
193: ok 13479
193: ok 13480
193: ok 13481
193: ok 13482
193: ok 13483
193: ok 13484
193: ok 13485
193: ok 13486
193: ok 13487
193: ok 13488
193: ok 13489
193: ok 13490
193: ok 13491
193: ok 13492
193: ok 13493
193: ok 13494
193: ok 13495
193: ok 13496
193: ok 13497
193: ok 13498
193: ok 13499
193: ok 13500
193: ok 13501
193: ok 13502
193: ok 13503
193: ok 13504
193: ok 13505
193: ok 13506
193: ok 13507
193: ok 13508
193: ok 13509
193: ok 13510
193: ok 13511
193: ok 13512
193: ok 13513
193: ok 13514
193: ok 13515
193: ok 13516
193: ok 13517
193: ok 13518
193: ok 13519
193: ok 13520
193: ok 13521
193: ok 13522
193: ok 13523
193: ok 13524
193: ok 13525
193: ok 13526
193: ok 13527
193: ok 13528
193: ok 13529
193: ok 13530
193: ok 13531
193: ok 13532
193: ok 13533
193: ok 13534
193: ok 13535
193: ok 13536
193: ok 13537
193: ok 13538
193: ok 13539
193: ok 13540
193: ok 13541
193: ok 13542
193: ok 13543
193: ok 13544
193: ok 13545
193: ok 13546
193: ok 13547
193: ok 13548
193: ok 13549
193: ok 13550
193: ok 13551
193: ok 13552
193: ok 13553
193: ok 13554
193: ok 13555
193: ok 13556
193: ok 13557
193: ok 13558
193: ok 13559
193: ok 13560
193: ok 13561
193: ok 13562
193: ok 13563
193: ok 13564
193: ok 13565
193: ok 13566
193: ok 13567
193: ok 13568
193: ok 13569
193: ok 13570
193: ok 13571
193: ok 13572
193: ok 13573
193: ok 13574
193: ok 13575
193: ok 13576
193: ok 13577
193: ok 13578
193: ok 13579
193: ok 13580
193: ok 13581
193: ok 13582
193: ok 13583
193: ok 13584
193: ok 13585
193: ok 13586
193: ok 13587
193: ok 13588
193: ok 13589
193: ok 13590
193: ok 13591
193: ok 13592
193: ok 13593
193: ok 13594
193: ok 13595
193: ok 13596
193: ok 13597
193: ok 13598
193: ok 13599
193: ok 13600
193: ok 13601
193: ok 13602
193: ok 13603
193: ok 13604
193: ok 13605
193: ok 13606
193: ok 13607
193: ok 13608
193: ok 13609
193: ok 13610
193: ok 13611
193: ok 13612
193: ok 13613
193: ok 13614
193: ok 13615
193: ok 13616
193: ok 13617
193: ok 13618
193: ok 13619
193: ok 13620
193: ok 13621
193: ok 13622
193: ok 13623
193: ok 13624
193: ok 13625
193: ok 13626
193: ok 13627
193: ok 13628
193: ok 13629
193: ok 13630
193: ok 13631
193: ok 13632
193: ok 13633
193: ok 13634
193: ok 13635
193: ok 13636
193: ok 13637
193: ok 13638
193: ok 13639
193: ok 13640
193: ok 13641
193: ok 13642
193: ok 13643
193: ok 13644
193: ok 13645
193: ok 13646
193: ok 13647
193: ok 13648
193: ok 13649
193: ok 13650
193: ok 13651
193: ok 13652
193: ok 13653
193: ok 13654
193: ok 13655
193: ok 13656
193: ok 13657
193: ok 13658
193: ok 13659
193: ok 13660
193: ok 13661
193: ok 13662
193: ok 13663
193: ok 13664
193: ok 13665
193: ok 13666
193: ok 13667
193: ok 13668
193: ok 13669
193: ok 13670
193: ok 13671
193: ok 13672
193: ok 13673
193: ok 13674
193: ok 13675
193: ok 13676
193: ok 13677
193: ok 13678
193: ok 13679
193: ok 13680
193: ok 13681
193: ok 13682
193: ok 13683
193: ok 13684
193: ok 13685
193: ok 13686
193: ok 13687
193: ok 13688
193: ok 13689
193: ok 13690
193: ok 13691
193: ok 13692
193: ok 13693
193: ok 13694
193: ok 13695
193: ok 13696
193: ok 13697
193: ok 13698
193: ok 13699
193: ok 13700
193: ok 13701
193: ok 13702
193: ok 13703
193: ok 13704
193: ok 13705
193: ok 13706
193: ok 13707
193: ok 13708
193: ok 13709
193: ok 13710
193: ok 13711
193: ok 13712
193: ok 13713
193: ok 13714
193: ok 13715
193: ok 13716
193: ok 13717
193: ok 13718
193: ok 13719
193: ok 13720
193: ok 13721
193: ok 13722
193: ok 13723
193: ok 13724
193: ok 13725
193: ok 13726
193: ok 13727
193: ok 13728
193: ok 13729
193: ok 13730
193: ok 13731
193: ok 13732
193: ok 13733
193: ok 13734
193: ok 13735
193: ok 13736
193: ok 13737
193: ok 13738
193: ok 13739
193: ok 13740
193: ok 13741
193: ok 13742
193: ok 13743
193: ok 13744
193: ok 13745
193: ok 13746
193: ok 13747
193: ok 13748
193: ok 13749
193: ok 13750
193: ok 13751
193: ok 13752
193: ok 13753
193: ok 13754
193: ok 13755
193: ok 13756
193: ok 13757
193: ok 13758
193: ok 13759
193: ok 13760
193: ok 13761
193: ok 13762
193: ok 13763
193: ok 13764
193: ok 13765
193: ok 13766
193: ok 13767
193: ok 13768
193: ok 13769
193: ok 13770
193: ok 13771
193: ok 13772
193: ok 13773
193: ok 13774
193: ok 13775
193: ok 13776
193: ok 13777
193: ok 13778
193: ok 13779
193: ok 13780
193: ok 13781
193: ok 13782
193: ok 13783
193: ok 13784
193: ok 13785
193: ok 13786
193: ok 13787
193: ok 13788
193: ok 13789
193: ok 13790
193: ok 13791
193: ok 13792
193: ok 13793
193: ok 13794
193: ok 13795
193: ok 13796
193: ok 13797
193: ok 13798
193: ok 13799
193: ok 13800
193: ok 13801
193: ok 13802
193: ok 13803
193: ok 13804
193: ok 13805
193: ok 13806
193: ok 13807
193: ok 13808
193: ok 13809
193: ok 13810
193: ok 13811
193: ok 13812
193: ok 13813
193: ok 13814
193: ok 13815
193: ok 13816
193: ok 13817
193: ok 13818
193: ok 13819
193: ok 13820
193: ok 13821
193: ok 13822
193: ok 13823
193: ok 13824
193: ok 13825
193: ok 13826
193: ok 13827
193: ok 13828
193: ok 13829
193: ok 13830
193: ok 13831
193: ok 13832
193: ok 13833
193: ok 13834
193: ok 13835
193: ok 13836
193: ok 13837
193: ok 13838
193: ok 13839
193: ok 13840
193: ok 13841
193: ok 13842
193: ok 13843
193: ok 13844
193: ok 13845
193: ok 13846
193: ok 13847
193: ok 13848
193: ok 13849
193: ok 13850
193: ok 13851
193: ok 13852
193: ok 13853
193: ok 13854
193: ok 13855
193: ok 13856
193: ok 13857
193: ok 13858
193: ok 13859
193: ok 13860
193: ok 13861
193: ok 13862
193: ok 13863
193: ok 13864
193: ok 13865
193: ok 13866
193: ok 13867
193: ok 13868
193: ok 13869
193: ok 13870
193: ok 13871
193: ok 13872
193: ok 13873
193: ok 13874
193: ok 13875
193: ok 13876
193: ok 13877
193: ok 13878
193: ok 13879
193: ok 13880
193: ok 13881
193: ok 13882
193: ok 13883
193: ok 13884
193: ok 13885
193: ok 13886
193: ok 13887
193: ok 13888
193: ok 13889
193: ok 13890
193: ok 13891
193: ok 13892
193: ok 13893
193: ok 13894
193: ok 13895
193: ok 13896
193: ok 13897
193: ok 13898
193: ok 13899
193: ok 13900
193: ok 13901
193: ok 13902
193: ok 13903
193: ok 13904
193: ok 13905
193: ok 13906
193: ok 13907
193: ok 13908
193: ok 13909
193: ok 13910
193: ok 13911
193: ok 13912
193: ok 13913
193: ok 13914
193: ok 13915
193: ok 13916
193: ok 13917
193: ok 13918
193: ok 13919
193: ok 13920
193: ok 13921
193: ok 13922
193: ok 13923
193: ok 13924
193: ok 13925
193: ok 13926
193: ok 13927
193: ok 13928
193: ok 13929
193: ok 13930
193: ok 13931
193: ok 13932
193: ok 13933
193: ok 13934
193: ok 13935
193: ok 13936
193: ok 13937
193: ok 13938
193: ok 13939
193: ok 13940
193: ok 13941
193: ok 13942
193: ok 13943
193: ok 13944
193: ok 13945
193: ok 13946
193: ok 13947
193: ok 13948
193: ok 13949
193: ok 13950
193: ok 13951
193: ok 13952
193: ok 13953
193: ok 13954
193: ok 13955
193: ok 13956
193: ok 13957
193: ok 13958
193: ok 13959
193: ok 13960
193: ok 13961
193: ok 13962
193: ok 13963
193: ok 13964
193: ok 13965
193: ok 13966
193: ok 13967
193: ok 13968
193: ok 13969
193: ok 13970
193: ok 13971
193: ok 13972
193: ok 13973
193: ok 13974
193: ok 13975
193: ok 13976
193: ok 13977
193: ok 13978
193: ok 13979
193: ok 13980
193: ok 13981
193: ok 13982
193: ok 13983
193: ok 13984
193: ok 13985
193: ok 13986
193: ok 13987
193: ok 13988
193: ok 13989
193: ok 13990
193: ok 13991
193: ok 13992
193: ok 13993
193: ok 13994
193: ok 13995
193: ok 13996
193: ok 13997
193: ok 13998
193: ok 13999
193: ok 14000
193: ok 14001
193: ok 14002
193: ok 14003
193: ok 14004
193: ok 14005
193: ok 14006
193: ok 14007
193: ok 14008
193: ok 14009
193: ok 14010
193: ok 14011
193: ok 14012
193: ok 14013
193: ok 14014
193: ok 14015
193: ok 14016
193: ok 14017
193: ok 14018
193: ok 14019
193: ok 14020
193: ok 14021
193: ok 14022
193: ok 14023
193: ok 14024
193: ok 14025
193: ok 14026
193: ok 14027
193: ok 14028
193: ok 14029
193: ok 14030
193: ok 14031
193: ok 14032
193: ok 14033
193: ok 14034
193: ok 14035
193: ok 14036
193: ok 14037
193: ok 14038
193: ok 14039
193: ok 14040
193: ok 14041
193: ok 14042
193: ok 14043
193: ok 14044
193: ok 14045
193: ok 14046
193: ok 14047
193: ok 14048
193: ok 14049
193: ok 14050
193: ok 14051
193: ok 14052
193: ok 14053
193: ok 14054
193: ok 14055
193: ok 14056
193: ok 14057
193: ok 14058
193: ok 14059
193: ok 14060
193: ok 14061
193: ok 14062
193: ok 14063
193: ok 14064
193: ok 14065
193: ok 14066
193: ok 14067
193: ok 14068
193: ok 14069
193: ok 14070
193: ok 14071
193: ok 14072
193: ok 14073
193: ok 14074
193: ok 14075
193: ok 14076
193: ok 14077
193: ok 14078
193: ok 14079
193: ok 14080
193: ok 14081
193: ok 14082
193: ok 14083
193: ok 14084
193: ok 14085
193: ok 14086
193: ok 14087
193: ok 14088
193: ok 14089
193: ok 14090
193: ok 14091
193: ok 14092
193: ok 14093
193: ok 14094
193: ok 14095
193: ok 14096
193: ok 14097
193: ok 14098
193: ok 14099
193: ok 14100
193: ok 14101
193: ok 14102
193: ok 14103
193: ok 14104
193: ok 14105
193: ok 14106
193: ok 14107
193: ok 14108
193: ok 14109
193: ok 14110
193: ok 14111
193: ok 14112
193: ok 14113
193: ok 14114
193: ok 14115
193: ok 14116
193: ok 14117
193: ok 14118
193: ok 14119
193: ok 14120
193: ok 14121
193: ok 14122
193: ok 14123
193: ok 14124
193: ok 14125
193: ok 14126
193: ok 14127
193: ok 14128
193: ok 14129
193: ok 14130
193: ok 14131
193: ok 14132
193: ok 14133
193: ok 14134
193: ok 14135
193: ok 14136
193: ok 14137
193: ok 14138
193: ok 14139
193: ok 14140
193: ok 14141
193: ok 14142
193: ok 14143
193: ok 14144
193: ok 14145
193: ok 14146
193: ok 14147
193: ok 14148
193: ok 14149
193: ok 14150
193: ok 14151
193: ok 14152
193: ok 14153
193: ok 14154
193: ok 14155
193: ok 14156
193: ok 14157
193: ok 14158
193: ok 14159
193: ok 14160
193: ok 14161
193: ok 14162
193: ok 14163
193: ok 14164
193: ok 14165
193: ok 14166
193: ok 14167
193: ok 14168
193: ok 14169
193: ok 14170
193: ok 14171
193: ok 14172
193: ok 14173
193: ok 14174
193: ok 14175
193: ok 14176
193: ok 14177
193: ok 14178
193: ok 14179
193: ok 14180
193: ok 14181
193: ok 14182
193: ok 14183
193: ok 14184
193: ok 14185
193: ok 14186
193: ok 14187
193: ok 14188
193: ok 14189
193: ok 14190
193: ok 14191
193: ok 14192
193: ok 14193
193: ok 14194
193: ok 14195
193: ok 14196
193: ok 14197
193: ok 14198
193: ok 14199
193: ok 14200
193: ok 14201
193: ok 14202
193: ok 14203
193: ok 14204
193: ok 14205
193: ok 14206
193: ok 14207
193: ok 14208
193: ok 14209
193: ok 14210
193: ok 14211
193: ok 14212
193: ok 14213
193: ok 14214
193: ok 14215
193: ok 14216
193: ok 14217
193: ok 14218
193: ok 14219
193: ok 14220
193: ok 14221
193: ok 14222
193: ok 14223
193: ok 14224
193: ok 14225
193: ok 14226
193: ok 14227
193: ok 14228
193: ok 14229
193: ok 14230
193: ok 14231
193: ok 14232
193: ok 14233
193: ok 14234
193: ok 14235
193: ok 14236
193: ok 14237
193: ok 14238
193: ok 14239
193: ok 14240
193: ok 14241
193: ok 14242
193: ok 14243
193: ok 14244
193: ok 14245
193: ok 14246
193: ok 14247
193: ok 14248
193: ok 14249
193: ok 14250
193: ok 14251
193: ok 14252
193: ok 14253
193: ok 14254
193: ok 14255
193: ok 14256
193: ok 14257
193: ok 14258
193: ok 14259
193: ok 14260
193: ok 14261
193: ok 14262
193: ok 14263
193: ok 14264
193: ok 14265
193: ok 14266
193: ok 14267
193: ok 14268
193: ok 14269
193: ok 14270
193: ok 14271
193: ok 14272
193: ok 14273
193: ok 14274
193: ok 14275
193: ok 14276
193: ok 14277
193: ok 14278
193: ok 14279
193: ok 14280
193: ok 14281
193: ok 14282
193: ok 14283
193: ok 14284
193: ok 14285
193: ok 14286
193: ok 14287
193: ok 14288
193: ok 14289
193: ok 14290
193: ok 14291
193: ok 14292
193: ok 14293
193: ok 14294
193: ok 14295
193: ok 14296
193: ok 14297
193: ok 14298
193: ok 14299
193: ok 14300
193: ok 14301
193: ok 14302
193: ok 14303
193: ok 14304
193: ok 14305
193: ok 14306
193: ok 14307
193: ok 14308
193: ok 14309
193: ok 14310
193: ok 14311
193: ok 14312
193: ok 14313
193: ok 14314
193: ok 14315
193: ok 14316
193: ok 14317
193: ok 14318
193: ok 14319
193: ok 14320
193: ok 14321
193: ok 14322
193: ok 14323
193: ok 14324
193: ok 14325
193: ok 14326
193: ok 14327
193: ok 14328
193: ok 14329
193: ok 14330
193: ok 14331
193: ok 14332
193: ok 14333
193: ok 14334
193: ok 14335
193: ok 14336
193: ok 14337
193: ok 14338
193: ok 14339
193: ok 14340
193: ok 14341
193: ok 14342
193: ok 14343
193: ok 14344
193: ok 14345
193: ok 14346
193: ok 14347
193: ok 14348
193: ok 14349
193: ok 14350
193: ok 14351
193: ok 14352
193: ok 14353
193: ok 14354
193: ok 14355
193: ok 14356
193: ok 14357
193: ok 14358
193: ok 14359
193: ok 14360
193: ok 14361
193: ok 14362
193: ok 14363
193: ok 14364
193: ok 14365
193: ok 14366
193: ok 14367
193: ok 14368
193: ok 14369
193: ok 14370
193: ok 14371
193: ok 14372
193: ok 14373
193: ok 14374
193: ok 14375
193: ok 14376
193: ok 14377
193: ok 14378
193: ok 14379
193: ok 14380
193: ok 14381
193: ok 14382
193: ok 14383
193: ok 14384
193: ok 14385
193: ok 14386
193: ok 14387
193: ok 14388
193: ok 14389
193: ok 14390
193: ok 14391
193: ok 14392
193: ok 14393
193: ok 14394
193: ok 14395
193: ok 14396
193: ok 14397
193: ok 14398
193: ok 14399
193: ok 14400
193: ok 14401
193: ok 14402
193: ok 14403
193: ok 14404
193: ok 14405
193: ok 14406
193: ok 14407
193: ok 14408
193: ok 14409
193: ok 14410
193: ok 14411
193: ok 14412
193: ok 14413
193: ok 14414
193: ok 14415
193: ok 14416
193: ok 14417
193: ok 14418
193: ok 14419
193: ok 14420
193: ok 14421
193: ok 14422
193: ok 14423
193: ok 14424
193: ok 14425
193: ok 14426
193: ok 14427
193: ok 14428
193: ok 14429
193: ok 14430
193: ok 14431
193: ok 14432
193: ok 14433
193: ok 14434
193: ok 14435
193: ok 14436
193: ok 14437
193: ok 14438
193: ok 14439
193: ok 14440
193: ok 14441
193: ok 14442
193: ok 14443
193: ok 14444
193: ok 14445
193: ok 14446
193: ok 14447
193: ok 14448
193: ok 14449
193: ok 14450
193: ok 14451
193: ok 14452
193: ok 14453
193: ok 14454
193: ok 14455
193: ok 14456
193: ok 14457
193: ok 14458
193: ok 14459
193: ok 14460
193: ok 14461
193: ok 14462
193: ok 14463
193: ok 14464
193: ok 14465
193: ok 14466
193: ok 14467
193: ok 14468
193: ok 14469
193: ok 14470
193: ok 14471
193: ok 14472
193: ok 14473
193: ok 14474
193: ok 14475
193: ok 14476
193: ok 14477
193: ok 14478
193: ok 14479
193: ok 14480
193: ok 14481
193: ok 14482
193: ok 14483
193: ok 14484
193: ok 14485
193: ok 14486
193: ok 14487
193: ok 14488
193: ok 14489
193: ok 14490
193: ok 14491
193: ok 14492
193: ok 14493
193: ok 14494
193: ok 14495
193: ok 14496
193: ok 14497
193: ok 14498
193: ok 14499
193: ok 14500
193: ok 14501
193: ok 14502
193: ok 14503
193: ok 14504
193: ok 14505
193: ok 14506
193: ok 14507
193: ok 14508
193: ok 14509
193: ok 14510
193: ok 14511
193: ok 14512
193: ok 14513
193: ok 14514
193: ok 14515
193: ok 14516
193: ok 14517
193: ok 14518
193: ok 14519
193: ok 14520
193: ok 14521
193: ok 14522
193: ok 14523
193: ok 14524
193: ok 14525
193: ok 14526
193: ok 14527
193: ok 14528
193: ok 14529
193: ok 14530
193: ok 14531
193: ok 14532
193: ok 14533
193: ok 14534
193: ok 14535
193: ok 14536
193: ok 14537
193: ok 14538
193: ok 14539
193: ok 14540
193: ok 14541
193: ok 14542
193: ok 14543
193: ok 14544
193: ok 14545
193: ok 14546
193: ok 14547
193: ok 14548
193: ok 14549
193: ok 14550
193: ok 14551
193: ok 14552
193: ok 14553
193: ok 14554
193: ok 14555
193: ok 14556
193: ok 14557
193: ok 14558
193: ok 14559
193: ok 14560
193: ok 14561
193: ok 14562
193: ok 14563
193: ok 14564
193: ok 14565
193: ok 14566
193: ok 14567
193: ok 14568
193: ok 14569
193: ok 14570
193: ok 14571
193: ok 14572
193: ok 14573
193: ok 14574
193: ok 14575
193: ok 14576
193: ok 14577
193: ok 14578
193: ok 14579
193: ok 14580
193: ok 14581
193: ok 14582
193: ok 14583
193: ok 14584
193: ok 14585
193: ok 14586
193: ok 14587
193: ok 14588
193: ok 14589
193: ok 14590
193: ok 14591
193: ok 14592
193: ok 14593
193: ok 14594
193: ok 14595
193: ok 14596
193: ok 14597
193: ok 14598
193: ok 14599
193: ok 14600
193: ok 14601
193: ok 14602
193: ok 14603
193: ok 14604
193: ok 14605
193: ok 14606
193: ok 14607
193: ok 14608
193: ok 14609
193: ok 14610
193: ok 14611
193: ok 14612
193: ok 14613
193: ok 14614
193: ok 14615
193: ok 14616
193: ok 14617
193: ok 14618
193: ok 14619
193: ok 14620
193: ok 14621
193: ok 14622
193: ok 14623
193: ok 14624
193: ok 14625
193: ok 14626
193: ok 14627
193: ok 14628
193: ok 14629
193: ok 14630
193: ok 14631
193: ok 14632
193: ok 14633
193: ok 14634
193: ok 14635
193: ok 14636
193: ok 14637
193: ok 14638
193: ok 14639
193: ok 14640
193: ok 14641
193: ok 14642
193: ok 14643
193: ok 14644
193: ok 14645
193: ok 14646
193: ok 14647
193: ok 14648
193: ok 14649
193: ok 14650
193: ok 14651
193: ok 14652
193: ok 14653
193: ok 14654
193: ok 14655
193: ok 14656
193: ok 14657
193: ok 14658
193: ok 14659
193: ok 14660
193: ok 14661
193: ok 14662
193: ok 14663
193: ok 14664
193: ok 14665
193: ok 14666
193: ok 14667
193: ok 14668
193: ok 14669
193: ok 14670
193: ok 14671
193: ok 14672
193: ok 14673
193: ok 14674
193: ok 14675
193: ok 14676
193: ok 14677
193: ok 14678
193: ok 14679
193: ok 14680
193: ok 14681
193: ok 14682
193: ok 14683
193: ok 14684
193: ok 14685
193: ok 14686
193: ok 14687
193: ok 14688
193: ok 14689
193: ok 14690
193: ok 14691
193: ok 14692
193: ok 14693
193: ok 14694
193: ok 14695
193: ok 14696
193: ok 14697
193: ok 14698
193: ok 14699
193: ok 14700
193: ok 14701
193: ok 14702
193: ok 14703
193: ok 14704
193: ok 14705
193: ok 14706
193: ok 14707
193: ok 14708
193: ok 14709
193: ok 14710
193: ok 14711
193: ok 14712
193: ok 14713
193: ok 14714
193: ok 14715
193: ok 14716
193: ok 14717
193: ok 14718
193: ok 14719
193: ok 14720
193: ok 14721
193: ok 14722
193: ok 14723
193: ok 14724
193: ok 14725
193: ok 14726
193: ok 14727
193: ok 14728
193: ok 14729
193: ok 14730
193: ok 14731
193: ok 14732
193: ok 14733
193: ok 14734
193: ok 14735
193: ok 14736
193: ok 14737
193: ok 14738
193: ok 14739
193: ok 14740
193: ok 14741
193: ok 14742
193: ok 14743
193: ok 14744
193: ok 14745
193: ok 14746
193: ok 14747
193: ok 14748
193: ok 14749
193: ok 14750
193: ok 14751
193: ok 14752
193: ok 14753
193: ok 14754
193: ok 14755
193: ok 14756
193: ok 14757
193: ok 14758
193: ok 14759
193: ok 14760
193: ok 14761
193: ok 14762
193: ok 14763
193: ok 14764
193: ok 14765
193: ok 14766
193: ok 14767
193: ok 14768
193: ok 14769
193: ok 14770
193: ok 14771
193: ok 14772
193: ok 14773
193: ok 14774
193: ok 14775
193: ok 14776
193: ok 14777
193: ok 14778
193: ok 14779
193: ok 14780
193: ok 14781
193: ok 14782
193: ok 14783
193: ok 14784
193: ok 14785
193: ok 14786
193: ok 14787
193: ok 14788
193: ok 14789
193: ok 14790
193: ok 14791
193: ok 14792
193: ok 14793
193: ok 14794
193: ok 14795
193: ok 14796
193: ok 14797
193: ok 14798
193: ok 14799
193: ok 14800
193: ok 14801
193: ok 14802
193: ok 14803
193: ok 14804
193: ok 14805
193: ok 14806
193: ok 14807
193: ok 14808
193: ok 14809
193: ok 14810
193: ok 14811
193: ok 14812
193: ok 14813
193: ok 14814
193: ok 14815
193: ok 14816
193: ok 14817
193: ok 14818
193: ok 14819
193: ok 14820
193: ok 14821
193: ok 14822
193: ok 14823
193: ok 14824
193: ok 14825
193: ok 14826
193: ok 14827
193: ok 14828
193: ok 14829
193: ok 14830
193: ok 14831
193: ok 14832
193: ok 14833
193: ok 14834
193: ok 14835
193: ok 14836
193: ok 14837
193: ok 14838
193: ok 14839
193: ok 14840
193: ok 14841
193: ok 14842
193: ok 14843
193: ok 14844
193: ok 14845
193: ok 14846
193: ok 14847
193: ok 14848
193: ok 14849
193: ok 14850
193: ok 14851
193: ok 14852
193: ok 14853
193: ok 14854
193: ok 14855
193: ok 14856
193: ok 14857
193: ok 14858
193: ok 14859
193: ok 14860
193: ok 14861
193: ok 14862
193: ok 14863
193: ok 14864
193: ok 14865
193: ok 14866
193: ok 14867
193: ok 14868
193: ok 14869
193: ok 14870
193: ok 14871
193: ok 14872
193: ok 14873
193: ok 14874
193: ok 14875
193: ok 14876
193: ok 14877
193: ok 14878
193: ok 14879
193: ok 14880
193: ok 14881
193: ok 14882
193: ok 14883
193: ok 14884
193: ok 14885
193: ok 14886
193: ok 14887
193: ok 14888
193: ok 14889
193: ok 14890
193: ok 14891
193: ok 14892
193: ok 14893
193: ok 14894
193: ok 14895
193: ok 14896
193: ok 14897
193: ok 14898
193: ok 14899
193: ok 14900
193: ok 14901
193: ok 14902
193: ok 14903
193: ok 14904
193: ok 14905
193: ok 14906
193: ok 14907
193: ok 14908
193: ok 14909
193: ok 14910
193: ok 14911
193: ok 14912
193: ok 14913
193: ok 14914
193: ok 14915
193: ok 14916
193: ok 14917
193: ok 14918
193: ok 14919
193: ok 14920
193: ok 14921
193: ok 14922
193: ok 14923
193: ok 14924
193: ok 14925
193: ok 14926
193: ok 14927
193: ok 14928
193: ok 14929
193: ok 14930
193: ok 14931
193: ok 14932
193: ok 14933
193: ok 14934
193: ok 14935
193: ok 14936
193: ok 14937
193: ok 14938
193: ok 14939
193: ok 14940
193: ok 14941
193: ok 14942
193: ok 14943
193: ok 14944
193: ok 14945
193: ok 14946
193: ok 14947
193: ok 14948
193: ok 14949
193: ok 14950
193: ok 14951
193: ok 14952
193: ok 14953
193: ok 14954
193: ok 14955
193: ok 14956
193: ok 14957
193: ok 14958
193: ok 14959
193: ok 14960
193: ok 14961
193: ok 14962
193: ok 14963
193: ok 14964
193: ok 14965
193: ok 14966
193: ok 14967
193: ok 14968
193: ok 14969
193: ok 14970
193: ok 14971
193: ok 14972
193: ok 14973
193: ok 14974
193: ok 14975
193: ok 14976
193: ok 14977
193: ok 14978
193: ok 14979
193: ok 14980
193: ok 14981
193: ok 14982
193: ok 14983
193: ok 14984
193: ok 14985
193: ok 14986
193: ok 14987
193: ok 14988
193: ok 14989
193: ok 14990
193: ok 14991
193: ok 14992
193: ok 14993
193: ok 14994
193: ok 14995
193: ok 14996
193: ok 14997
193: ok 14998
193: ok 14999
193: ok 15000
193: ok 15001
193: ok 15002
193: ok 15003
193: ok 15004
193: ok 15005
193: ok 15006
193: ok 15007
193: ok 15008
193: ok 15009
193: ok 15010
193: ok 15011
193: ok 15012
193: ok 15013
193: ok 15014
193: ok 15015
193: ok 15016
193: ok 15017
193: ok 15018
193: ok 15019
193: ok 15020
193: ok 15021
193: ok 15022
193: ok 15023
193: ok 15024
193: ok 15025
193: ok 15026
193: ok 15027
193: ok 15028
193: ok 15029
193: ok 15030
193: ok 15031
193: ok 15032
193: ok 15033
193: ok 15034
193: ok 15035
193: ok 15036
193: ok 15037
193: ok 15038
193: ok 15039
193: ok 15040
193: ok 15041
193: ok 15042
193: ok 15043
193: ok 15044
193: ok 15045
193: ok 15046
193: ok 15047
193: ok 15048
193: ok 15049
193: ok 15050
193: ok 15051
193: ok 15052
193: ok 15053
193: ok 15054
193: ok 15055
193: ok 15056
193: ok 15057
193: ok 15058
193: ok 15059
193: ok 15060
193: ok 15061
193: ok 15062
193: ok 15063
193: ok 15064
193: ok 15065
193: ok 15066
193: ok 15067
193: ok 15068
193: ok 15069
193: ok 15070
193: ok 15071
193: ok 15072
193: ok 15073
193: ok 15074
193: ok 15075
193: ok 15076
193: ok 15077
193: ok 15078
193: ok 15079
193: ok 15080
193: ok 15081
193: ok 15082
193: ok 15083
193: ok 15084
193: ok 15085
193: ok 15086
193: ok 15087
193: ok 15088
193: ok 15089
193: ok 15090
193: ok 15091
193: ok 15092
193: ok 15093
193: ok 15094
193: ok 15095
193: ok 15096
193: ok 15097
193: ok 15098
193: ok 15099
193: ok 15100
193: ok 15101
193: ok 15102
193: ok 15103
193: ok 15104
193: ok 15105
193: ok 15106
193: ok 15107
193: ok 15108
193: ok 15109
193: ok 15110
193: ok 15111
193: ok 15112
193: ok 15113
193: ok 15114
193: ok 15115
193: ok 15116
193: ok 15117
193: ok 15118
193: ok 15119
193: ok 15120
193: ok 15121
193: ok 15122
193: ok 15123
193: ok 15124
193: ok 15125
193: ok 15126
193: ok 15127
193: ok 15128
193: ok 15129
193: ok 15130
193: ok 15131
193: ok 15132
193: ok 15133
193: ok 15134
193: ok 15135
193: ok 15136
193: ok 15137
193: ok 15138
193: ok 15139
193: ok 15140
193: ok 15141
193: ok 15142
193: ok 15143
193: ok 15144
193: ok 15145
193: ok 15146
193: ok 15147
193: ok 15148
193: ok 15149
193: ok 15150
193: ok 15151
193: ok 15152
193: ok 15153
193: ok 15154
193: ok 15155
193: ok 15156
193: ok 15157
193: ok 15158
193: ok 15159
193: ok 15160
193: ok 15161
193: ok 15162
193: ok 15163
193: ok 15164
193: ok 15165
193: ok 15166
193: ok 15167
193: ok 15168
193: ok 15169
193: ok 15170
193: ok 15171
193: ok 15172
193: ok 15173
193: ok 15174
193: ok 15175
193: ok 15176
193: ok 15177
193: ok 15178
193: ok 15179
193: ok 15180
193: ok 15181
193: ok 15182
193: ok 15183
193: ok 15184
193: ok 15185
193: ok 15186
193: ok 15187
193: ok 15188
193: ok 15189
193: ok 15190
193: ok 15191
193: ok 15192
193: ok 15193
193: ok 15194
193: ok 15195
193: ok 15196
193: ok 15197
193: ok 15198
193: ok 15199
193: ok 15200
193: ok 15201
193: ok 15202
193: ok 15203
193: ok 15204
193: ok 15205
193: ok 15206
193: ok 15207
193: ok 15208
193: ok 15209
193: ok 15210
193: ok 15211
193: ok 15212
193: ok 15213
193: ok 15214
193: ok 15215
193: ok 15216
193: ok 15217
193: ok 15218
193: ok 15219
193: ok 15220
193: ok 15221
193: ok 15222
193: ok 15223
193: ok 15224
193: ok 15225
193: ok 15226
193: ok 15227
193: ok 15228
193: ok 15229
193: ok 15230
193: ok 15231
193: ok 15232
193: ok 15233
193: ok 15234
193: ok 15235
193: ok 15236
193: ok 15237
193: ok 15238
193: ok 15239
193: ok 15240
193: ok 15241
193: ok 15242
193: ok 15243
193: ok 15244
193: ok 15245
193: ok 15246
193: ok 15247
193: ok 15248
193: ok 15249
193: ok 15250
193: ok 15251
193: ok 15252
193: ok 15253
193: ok 15254
193: ok 15255
193: ok 15256
193: ok 15257
193: ok 15258
193: ok 15259
193: ok 15260
193: ok 15261
193: ok 15262
193: ok 15263
193: ok 15264
193: ok 15265
193: ok 15266
193: ok 15267
193: ok 15268
193: ok 15269
193: ok 15270
193: ok 15271
193: ok 15272
193: ok 15273
193: ok 15274
193: ok 15275
193: ok 15276
193: ok 15277
193: ok 15278
193: ok 15279
193: ok 15280
193: ok 15281
193: ok 15282
193: ok 15283
193: ok 15284
193: ok 15285
193: ok 15286
193: ok 15287
193: ok 15288
193: ok 15289
193: ok 15290
193: ok 15291
193: ok 15292
193: ok 15293
193: ok 15294
193: ok 15295
193: ok 15296
193: ok 15297
193: ok 15298
193: ok 15299
193: ok 15300
193: ok 15301
193: ok 15302
193: ok 15303
193: ok 15304
193: ok 15305
193: ok 15306
193: ok 15307
193: ok 15308
193: ok 15309
193: ok 15310
193: ok 15311
193: ok 15312
193: ok 15313
193: ok 15314
193: ok 15315
193: ok 15316
193: ok 15317
193: ok 15318
193: ok 15319
193: ok 15320
193: ok 15321
193: ok 15322
193: ok 15323
193: ok 15324
193: ok 15325
193: ok 15326
193: ok 15327
193: ok 15328
193: ok 15329
193: ok 15330
193: ok 15331
193: ok 15332
193: ok 15333
193: ok 15334
193: ok 15335
193: ok 15336
193: ok 15337
193: ok 15338
193: ok 15339
193: ok 15340
193: ok 15341
193: ok 15342
193: ok 15343
193: ok 15344
193: ok 15345
193: ok 15346
193: ok 15347
193: ok 15348
193: ok 15349
193: ok 15350
193: ok 15351
193: ok 15352
193: ok 15353
193: ok 15354
193: ok 15355
193: ok 15356
193: ok 15357
193: ok 15358
193: ok 15359
193: ok 15360
193: ok 15361
193: ok 15362
193: ok 15363
193: ok 15364
193: ok 15365
193: ok 15366
193: ok 15367
193: ok 15368
193: ok 15369
193: ok 15370
193: ok 15371
193: ok 15372
193: ok 15373
193: ok 15374
193: ok 15375
193: ok 15376
193: ok 15377
193: ok 15378
193: ok 15379
193: ok 15380
193: ok 15381
193: ok 15382
193: ok 15383
193: ok 15384
193: ok 15385
193: ok 15386
193: ok 15387
193: ok 15388
193: ok 15389
193: ok 15390
193: ok 15391
193: ok 15392
193: ok 15393
193: ok 15394
193: ok 15395
193: ok 15396
193: ok 15397
193: ok 15398
193: ok 15399
193: ok 15400
193: ok 15401
193: ok 15402
193: ok 15403
193: ok 15404
193: ok 15405
193: ok 15406
193: ok 15407
193: ok 15408
193: ok 15409
193: ok 15410
193: ok 15411
193: ok 15412
193: ok 15413
193: ok 15414
193: ok 15415
193: ok 15416
193: ok 15417
193: ok 15418
193: ok 15419
193: ok 15420
193: ok 15421
193: ok 15422
193: ok 15423
193: ok 15424
193: ok 15425
193: ok 15426
193: ok 15427
193: ok 15428
193: ok 15429
193: ok 15430
193: ok 15431
193: ok 15432
193: ok 15433
193: ok 15434
193: ok 15435
193: ok 15436
193: ok 15437
193: ok 15438
193: ok 15439
193: ok 15440
193: ok 15441
193: ok 15442
193: ok 15443
193: ok 15444
193: ok 15445
193: ok 15446
193: ok 15447
193: ok 15448
193: ok 15449
193: ok 15450
193: ok 15451
193: ok 15452
193: ok 15453
193: ok 15454
193: ok 15455
193: ok 15456
193: ok 15457
193: ok 15458
193: ok 15459
193: ok 15460
193: ok 15461
193: ok 15462
193: ok 15463
193: ok 15464
193: ok 15465
193: ok 15466
193: ok 15467
193: ok 15468
193: ok 15469
193: ok 15470
193: ok 15471
193: ok 15472
193: ok 15473
193: ok 15474
193: ok 15475
193: ok 15476
193: ok 15477
193: ok 15478
193: ok 15479
193: ok 15480
193: ok 15481
193: ok 15482
193: ok 15483
193: ok 15484
193: ok 15485
193: ok 15486
193: ok 15487
193: ok 15488
193: ok 15489
193: ok 15490
193: ok 15491
193: ok 15492
193: ok 15493
193: ok 15494
193: ok 15495
193: ok 15496
193: ok 15497
193: ok 15498
193: ok 15499
193: ok 15500
193: ok 15501
193: ok 15502
193: ok 15503
193: ok 15504
193: ok 15505
193: ok 15506
193: ok 15507
193: ok 15508
193: ok 15509
193: ok 15510
193: ok 15511
193: ok 15512
193: ok 15513
193: ok 15514
193: ok 15515
193: ok 15516
193: ok 15517
193: ok 15518
193: ok 15519
193: ok 15520
193: ok 15521
193: ok 15522
193: ok 15523
193: ok 15524
193: ok 15525
193: ok 15526
193: ok 15527
193: ok 15528
193: ok 15529
193: ok 15530
193: ok 15531
193: ok 15532
193: ok 15533
193: ok 15534
193: ok 15535
193: ok 15536
193: ok 15537
193: ok 15538
193: ok 15539
193: ok 15540
193: ok 15541
193: ok 15542
193: ok 15543
193: ok 15544
193: ok 15545
193: ok 15546
193: ok 15547
193: ok 15548
193: ok 15549
193: ok 15550
193: ok 15551
193: ok 15552
193: ok 15553
193: ok 15554
193: ok 15555
193: ok 15556
193: ok 15557
193: ok 15558
193: ok 15559
193: ok 15560
193: ok 15561
193: ok 15562
193: ok 15563
193: ok 15564
193: ok 15565
193: ok 15566
193: ok 15567
193: ok 15568
193: ok 15569
193: ok 15570
193: ok 15571
193: ok 15572
193: ok 15573
193: ok 15574
193: ok 15575
193: ok 15576
193: ok 15577
193: ok 15578
193: ok 15579
193: ok 15580
193: ok 15581
193: ok 15582
193: ok 15583
193: ok 15584
193: ok 15585
193: ok 15586
193: ok 15587
193: ok 15588
193: ok 15589
193: ok 15590
193: ok 15591
193: ok 15592
193: ok 15593
193: ok 15594
193: ok 15595
193: ok 15596
193: ok 15597
193: ok 15598
193: ok 15599
193: ok 15600
193: ok 15601
193: ok 15602
193: ok 15603
193: ok 15604
193: ok 15605
193: ok 15606
193: ok 15607
193: ok 15608
193: ok 15609
193: ok 15610
193: ok 15611
193: ok 15612
193: ok 15613
193: ok 15614
193: ok 15615
193: ok 15616
193: ok 15617
193: ok 15618
193: ok 15619
193: ok 15620
193: ok 15621
193: ok 15622
193: ok 15623
193: ok 15624
193: ok 15625
193: ok 15626
193: ok 15627
193: ok 15628
193: ok 15629
193: ok 15630
193: ok 15631
193: ok 15632
193: ok 15633
193: ok 15634
193: ok 15635
193: ok 15636
193: ok 15637
193: ok 15638
193: ok 15639
193: ok 15640
193: ok 15641
193: ok 15642
193: ok 15643
193: ok 15644
193: ok 15645
193: ok 15646
193: ok 15647
193: ok 15648
193: ok 15649
193: ok 15650
193: ok 15651
193: ok 15652
193: ok 15653
193: ok 15654
193: ok 15655
193: ok 15656
193: ok 15657
193: ok 15658
193: ok 15659
193: ok 15660
193: ok 15661
193: ok 15662
193: ok 15663
193: ok 15664
193: ok 15665
193: ok 15666
193: ok 15667
193: ok 15668
193: ok 15669
193: ok 15670
193: ok 15671
193: ok 15672
193: ok 15673
193: ok 15674
193: ok 15675
193: ok 15676
193: ok 15677
193: ok 15678
193: ok 15679
193: ok 15680
193: ok 15681
193: ok 15682
193: ok 15683
193: ok 15684
193: ok 15685
193: ok 15686
193: ok 15687
193: ok 15688
193: ok 15689
193: ok 15690
193: ok 15691
193: ok 15692
193: ok 15693
193: ok 15694
193: ok 15695
193: ok 15696
193: ok 15697
193: ok 15698
193: ok 15699
193: ok 15700
193: ok 15701
193: ok 15702
193: ok 15703
193: ok 15704
193: ok 15705
193: ok 15706
193: ok 15707
193: ok 15708
193: ok 15709
193: ok 15710
193: ok 15711
193: ok 15712
193: ok 15713
193: ok 15714
193: ok 15715
193: ok 15716
193: ok 15717
193: ok 15718
193: ok 15719
193: ok 15720
193: ok 15721
193: ok 15722
193: ok 15723
193: ok 15724
193: ok 15725
193: ok 15726
193: ok 15727
193: ok 15728
193: ok 15729
193: ok 15730
193: ok 15731
193: ok 15732
193: ok 15733
193: ok 15734
193: ok 15735
193: ok 15736
193: ok 15737
193: ok 15738
193: ok 15739
193: ok 15740
193: ok 15741
193: ok 15742
193: ok 15743
193: ok 15744
193: ok 15745
193: ok 15746
193: ok 15747
193: ok 15748
193: ok 15749
193: ok 15750
193: ok 15751
193: ok 15752
193: ok 15753
193: ok 15754
193: ok 15755
193: ok 15756
193: ok 15757
193: ok 15758
193: ok 15759
193: ok 15760
193: ok 15761
193: ok 15762
193: ok 15763
193: ok 15764
193: ok 15765
193: ok 15766
193: ok 15767
193: ok 15768
193: ok 15769
193: ok 15770
193: ok 15771
193: ok 15772
193: ok 15773
193: ok 15774
193: ok 15775
193: ok 15776
193: ok 15777
193: ok 15778
193: ok 15779
193: ok 15780
193: ok 15781
193: ok 15782
193: ok 15783
193: ok 15784
193: ok 15785
193: ok 15786
193: ok 15787
193: ok 15788
193: ok 15789
193: ok 15790
193: ok 15791
193: ok 15792
193: ok 15793
193: ok 15794
193: ok 15795
193: ok 15796
193: ok 15797
193: ok 15798
193: ok 15799
193: ok 15800
193: ok 15801
193: ok 15802
193: ok 15803
193: ok 15804
193: ok 15805
193: ok 15806
193: ok 15807
193: ok 15808
193: ok 15809
193: ok 15810
193: ok 15811
193: ok 15812
193: ok 15813
193: ok 15814
193: ok 15815
193: ok 15816
193: ok 15817
193: ok 15818
193: ok 15819
193: ok 15820
193: ok 15821
193: ok 15822
193: ok 15823
193: ok 15824
193: ok 15825
193: ok 15826
193: ok 15827
193: ok 15828
193: ok 15829
193: ok 15830
193: ok 15831
193: ok 15832
193: ok 15833
193: ok 15834
193: ok 15835
193: ok 15836
193: ok 15837
193: ok 15838
193: ok 15839
193: ok 15840
193: ok 15841
193: ok 15842
193: ok 15843
193: ok 15844
193: ok 15845
193: ok 15846
193: ok 15847
193: ok 15848
193: ok 15849
193: ok 15850
193: ok 15851
193: ok 15852
193: ok 15853
193: ok 15854
193: ok 15855
193: ok 15856
193: ok 15857
193: ok 15858
193: ok 15859
193: ok 15860
193: ok 15861
193: ok 15862
193: ok 15863
193: ok 15864
193: ok 15865
193: ok 15866
193: ok 15867
193: ok 15868
193: ok 15869
193: ok 15870
193: ok 15871
193: ok 15872
193: ok 15873
193: ok 15874
193: ok 15875
193: ok 15876
193: ok 15877
193: ok 15878
193: ok 15879
193: ok 15880
193: ok 15881
193: ok 15882
193: ok 15883
193: ok 15884
193: ok 15885
193: ok 15886
193: ok 15887
193: ok 15888
193: ok 15889
193: ok 15890
193: ok 15891
193: ok 15892
193: ok 15893
193: ok 15894
193: ok 15895
193: ok 15896
193: ok 15897
193: ok 15898
193: ok 15899
193: ok 15900
193: ok 15901
193: ok 15902
193: ok 15903
193: ok 15904
193: ok 15905
193: ok 15906
193: ok 15907
193: ok 15908
193: ok 15909
193: ok 15910
193: ok 15911
193: ok 15912
193: ok 15913
193: ok 15914
193: ok 15915
193: ok 15916
193: ok 15917
193: ok 15918
193: ok 15919
193: ok 15920
193: ok 15921
193: ok 15922
193: ok 15923
193: ok 15924
193: ok 15925
193: ok 15926
193: ok 15927
193: ok 15928
193: ok 15929
193: ok 15930
193: ok 15931
193: ok 15932
193: ok 15933
193: ok 15934
193: ok 15935
193: ok 15936
193: ok 15937
193: ok 15938
193: ok 15939
193: ok 15940
193: ok 15941
193: ok 15942
193: ok 15943
193: ok 15944
193: ok 15945
193: ok 15946
193: ok 15947
193: ok 15948
193: ok 15949
193: ok 15950
193: ok 15951
193: ok 15952
193: ok 15953
193: ok 15954
193: ok 15955
193: ok 15956
193: ok 15957
193: ok 15958
193: ok 15959
193: ok 15960
193: ok 15961
193: ok 15962
193: ok 15963
193: ok 15964
193: ok 15965
193: ok 15966
193: ok 15967
193: ok 15968
193: ok 15969
193: ok 15970
193: ok 15971
193: ok 15972
193: ok 15973
193: ok 15974
193: ok 15975
193: ok 15976
193: ok 15977
193: ok 15978
193: ok 15979
193: ok 15980
193: ok 15981
193: ok 15982
193: ok 15983
193: ok 15984
193: ok 15985
193: ok 15986
193: ok 15987
193: ok 15988
193: ok 15989
193: ok 15990
193: ok 15991
193: ok 15992
193: ok 15993
193: ok 15994
193: ok 15995
193: ok 15996
193: ok 15997
193: ok 15998
193: ok 15999
193: ok 16000
193: # math: passed testEigenvectors
193: 1..16000
193: # math: all tests are successful
194: # Unit tests for OBMol 
194: ok 1
194: ok 2
194: ok 3
194: ok 4
194: ok 5
194: ok 6
194: ok 7
194: ok 8
194: ok 9
194: ok 10
194: ok 11
194: ok 12
194: ok 13
194: ==============================
194: *** Open Babel Warning  in GetSpacedFormula
194:   Skipping unknown element with atomic number 200
194: ok 14
194: ok 15 0
194: 1..15
195: # Unit tests for OBMol 
195: ok 1
195: ok 2!
195: ok 3!
195: ok 4!
195: ok 5!
195: ok 6!
195: ok 7!
195: ok 8!
195: 1..6
192/223 Test #194: test_mol_1 .......................   Passed    0.69 sec
193/223 Test #195: test_pdbreadfile_1 ...............   Passed    0.69 sec
test 196
        Start 196: test_pdbreadfile_2
196: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "2"
196: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
196: Environment variables: 
196:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
196:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
196: Test timeout computed to be: 1500
test 197
        Start 197: test_pdbreadfile_3
197: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "3"
197: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
197: Environment variables: 
197:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
197:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
197: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yv5_svr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yvc_4kh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yve_4kk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yvf_xfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yvx_gmr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yw6_g0p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yw7_4j0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yw9_1wd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ywa_4j9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ywb_oxd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yyl_4kn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yyz_4jx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yz7_9ar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yz9_4k7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yzm_4k4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yzn_4k5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yzu_4k6.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cc3_4zu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cc5_ico.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cc6_4zv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cc9_ddf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ccl_4zw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ccm_4zx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ccn_4zz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ccq_502.sdf
194/223 Test #193: test_math_4 ......................   Passed    1.43 sec
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 1)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 2)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 3)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 4)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 5)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 6)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 7)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 8)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 9)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 10)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 11)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 12)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 13)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 14)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 15)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 16)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 17)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 18)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 19)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 20)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 21)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 22)
196: # Unit tests for OBMol 
196: ok 1
196: ok 2!
196: ok 3!
196: ok 4!
196: ok 5!
196: ok 6!
196: ok 7!
196: ok 8!
196: 1..6
195/223 Test #196: test_pdbreadfile_2 ...............   Passed    0.48 sec
test 198
        Start 198: test_pdbreadfile_4
198: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "4"
198: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
198: Environment variables: 
198:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
198:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
198: Test timeout computed to be: 1500
test 199
        Start 199: test_phmodel_1
199: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "phmodel" "1"
199: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
199: Environment variables: 
199:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
199:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
199: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ea7_5no.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eab_tbx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eac_tbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ead_5l9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eae_5l8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eaf_fqc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eag_5lu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eah_5lz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eai_e6a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eak_24r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eal_5ml.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eam_5mn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eap_5mo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ear_5mq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eau_fff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ebt_5n8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ebv_5lr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ebv_coa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ec4_5lq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ec8_5lp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ec9_5lo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ece_5n2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eci_jaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ecv_5m2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5edc_5m7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ede_5m6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5edg_5mg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5edh_5mf.sdf
197: # Unit tests for OBMol 
197: ok 1
197: ok 2!
197: ok 3!
197: ok 4!
197: ok 5!
197: ok 6!
197: ok 7!
197: ok 8!
197: 1..6
196/223 Test #197: test_pdbreadfile_3 ...............   Passed    0.27 sec
test 200
        Start 200: test_residue_1
200: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "residue" "1"
200: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
200: Environment variables: 
200:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
200:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
200: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5edi_5m9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5edq_5n3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5edr_5n4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eds_5mt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5edt_5mk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ee7_5mv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eeg_s8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eeh_p9p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eg7_mgt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ega_gk0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5egm_5ny.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5egr_5nt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5egs_5nr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5egu_5nq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eh0_5nw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eh9_hed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehg_5o0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehj_5k5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehl_0sq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eho_5o1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehp_5oa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehq_5o2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehr_5od.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehy_5o4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ehz_5nz.sdf
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 1)
199: # Asp
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 2)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 3)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 4)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 5)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 6)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 7)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 8)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 9)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 10)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 11)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 12)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 13)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 14)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 15)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 16)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 17)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 18)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 19)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 20)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 21)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 22)
199: #pH = 1.0 : [NH3+]C(CC(=O)O)C(=O)O	
199: ok 1
199: #pH = 3.9 : [NH3+]C(CC(=O)[O-])C(=O)O	
199: ok 2
199: #pH = 7.4 : [NH3+]C(CC(=O)[O-])C(=O)[O-]	
199: ok 3
199: #pH = 13.0 : NC(CC(=O)[O-])C(=O)[O-]	
199: ok 4
199: # Glu
198: # Unit tests for OBMol 
198: ok 1
198: ok 2!
198: ok 3!
198: ok 4!
198: ok 5!
198: ok 6!
198: ok 7!
198: ok 8!
198: 1..6
199: #pH = 1.0 : [NH3+]C(CCC(=O)O)C(=O)O	
199: ok 5
199: #pH = 4.15 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
199: #pH = 7.4 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
199: ok 6
199: #pH = 13.0 : NC(CCC(=O)[O-])C(=O)[O-]	
199: ok 7
199: # His
199: #pH = 1.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)O	
199: ok 8
199: #pH = 5.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)[O-]	
199: ok 9
199: #pH = 7.4 : [NH3+]C(Cc1nc[nH]c1)C(=O)[O-]	
199: ok 10
199: #pH = 13.0 : NC(Cc1nc[nH]c1)C(=O)[O-]	
199: ok 11
199: # Lys
197/223 Test #198: test_pdbreadfile_4 ...............   Passed    0.06 sec
test 201
        Start 201: test_ringtest_1
201: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ringtest" "1"
201: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
201: Environment variables: 
201:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
201:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
201: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ei2_5o7.sdf
199: #pH = 1.0 : [NH3+]C(CCCC[NH3+])C(=O)O	
199: ok 12
199: #pH = 7.4 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
199: ok 13
199: #pH = 9.0 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
199: #pH = 13.0 : NC(CCCCN)C(=O)[O-]	
199: ok 14
199: # Tyr
199: #pH = 1.0 : [NH3+]C(Cc1ccc(O)cc1)C(=O)O	
199: ok 15
199: #pH = 7.4 : [NH3+]C(Cc1ccc(O)cc1)C(=O)[O-]	
199: ok 16
199: #pH = 10.05 : NC(Cc1ccc(O)cc1)C(=O)[O-]	
199: ok 17
199: #pH = 13.0 : NC(Cc1ccc([O-])cc1)C(=O)[O-]	
199: ok 18
199: # Arg
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ei4_5nv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ei6_5oq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ei8_5oe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eic_5j5.sdf
199: #pH = 1.0 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)O	
199: ok 19
199: #pH = 7.4 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)[O-]	
199: ok 20
199: #pH = 11.0 : NC(CCCNC(=[NH2+])N)C(=O)[O-]	
199: ok 21
199: #pH = 13.0 : NC(CCCNC(=N)N)C(=O)[O-]	
199: ok 22
199: # Gly-Gly
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eie_tz2.sdf
201: # Testing ring perception...
199: #pH = 1.0 : [NH3+]CC(=O)NCC(=O)O	
199: ok 23
199: #pH = 7.4 : [NH3+]CC(=O)NCC(=O)[O-]	
199: ok 24
199: #pH = 13.0 : NCC(=O)NCC(=O)[O-]	
199: ok 25
199: 1..25
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eih_pz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ejm_td5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ek2_5pj.sdf
198/223 Test #199: test_phmodel_1 ...................   Passed    0.07 sec
test 202
        Start 202: test_smartstest_1
202: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smartstest" "1"
202: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
202: Environment variables: 
202:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
202:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
202: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ek3_5pk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ek4_5pf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ek9_5p4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ekn_n58.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eko_n17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ekx_2cq.sdf
200: # Unit tests for OBResidue 
200: ok 1
200: ok 2
200: ok 3
200: ok 4 # ALA
200: ok 5 # ARG
200: ok 6 # ASN
200: ok 7 # ASP
200: ok 8 # CYS
200: ok 9 # GLU
200: ok 10 # GLN
200: ok 11 # GLY
200: ok 12 # HIS
200: ok 13 # ILE
200: ok 14 # LEU
200: ok 15 # LYS
200: ok 16 # MET
200: ok 17 # PHE
200: ok 18 # PRO
200: ok 19 # SER
200: ok 20 # THR
200: ok 21 # TRP
200: ok 22 # TYR
200: ok 23 # VAL
200: ok 24 #   A
200: ok 25 #   C
200: ok 26 #   G
200: ok 27 #   T
200: ok 28 #   U
200: ==============================
200: *** Open Babel Warning  in ParseSmiles
200:   Failed to kekulize aromatic SMILES
200: 
200: ok 29 # found ligand, not residue c1ccccc1
200: ok 30 # found ligand, not residue c1cccn[H]1
200: ok 31 # found ligand, not residue CC(=O)CCN
200: ok 32 # ALA VAL
200: ok 33 # CYS LEU
200: 1..33
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5elx_m2a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ely_5pu.sdf
199/223 Test #200: test_residue_1 ...................   Passed    0.07 sec
test 203
        Start 203: test_smartsparse_1
203: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smartsparse" "1"
203: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
203: Environment variables: 
203:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
203:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
203: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5elz_3v9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5em3_5q0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5em5_5q2.sdf
202: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5em6_5q3.sdf
203: # Testing SMARTS Parsing...  
203: ok 1
203: ok 2
203: ok 3
203: ok 4
203: ok 5
203: ok 6
203: ok 7
203: ok 8
203: ok 9
203: ok 10
203: ok 11
203: ok 12
203: ok 13
203: ok 14
203: ok 15
203: ok 16
203: ok 17
203: ok 18
203: ok 19
203: ok 20
203: ok 21
203: ok 22
203: ok 23
203: ok 24
203: ok 25
203: ok 26
203: ok 27
203: ok 28
203: ok 29
203: ok 30
203: ok 31
203: ok 32
203: ok 33
203: ok 34
203: ok 35
203: ok 36
203: ok 37
203: ok 38
203: ok 39
203: ok 40
203: ok 41
203: ok 42
203: ok 43
203: ok 44
203: ok 45
203: ok 46
203: ok 47
203: ok 48
203: ok 49
203: ok 50
203: ok 51
203: ok 52
203: ok 53
203: ok 54
203: ok 55
203: ok 56
203: ok 57
203: ok 58
203: ok 59
203: ok 60
203: ok 61
203: ok 62
203: ok 63
203: ok 64
203: ok 65
203: ok 66
203: ok 67
203: ok 68
203: ok 69
203: ok 70
203: ok 71
203: ok 72
203: ok 73
203: ok 74
203: ok 75
203: ok 76
203: ok 77
203: ok 78
203: ok 79
203: ok 80
203: ok 81
203: ok 82
203: ok 83
203: ok 84
203: ok 85
203: ok 86
203: ok 87
203: ok 88
203: ok 89
203: ok 90
203: ok 91
203: ok 92
203: ok 93
203: ok 94
203: ok 95
203: ok 96
203: ok 97
203: ok 98
203: ok 99
203: ok 100
203: ok 101
203: ok 102
203: ok 103
203: ok 104
203: ok 105
203: ok 106
203: ok 107
203: ok 108
203: ok 109
203: ok 110
203: ok 111
203: ok 112
203: ok 113
203: ok 114
203: ok 115
203: ok 116
203: ok 117
203: ok 118
203: ok 119
203: ok 120
203: ok 121
203: ok 122
203: ok 123
203: ok 124
203: ok 125
203: ok 126
203: ok 127
203: ok 128
203: ok 129
203: ok 130
203: ok 131
203: ok 132
203: ok 133
203: ok 134
203: ok 135
203: ok 136
203: ok 137
203: ok 138
203: ok 139
203: ok 140
203: ok 141
203: ok 142
203: ok 143
203: ok 144
203: ok 145
203: ok 146
203: ok 147
203: ok 148
203: ok 149
203: ok 150
203: ok 151
203: ok 152
203: ok 153
203: ok 154
203: ok 155
203: ok 156
203: ok 157
203: ok 158
203: ok 159
203: ok 160
203: ok 161
203: ok 162
203: ok 163
203: ok 164
203: ok 165
203: ok 166
203: ok 167
203: ok 168
203: ok 169
203: ok 170
203: ok 171
203: ok 172
203: ok 173
203: ok 174
203: ok 175
203: ok 176
203: ok 177
203: ok 178
203: ok 179
203: ok 180
203: ok 181
203: ok 182
203: ok 183
203: ok 184
203: ok 185
203: ok 186
203: ok 187
203: ok 188
203: ok 189
203: ok 190
203: ok 191
203: ok 192
203: ok 193
203: ok 194
203: ok 195
203: ok 196
203: ok 197
203: ok 198
203: ok 199
203: ok 200
203: ok 201
203: ok 202
203: ok 203
203: ok 204
203: ok 205
203: ok 206
203: ok 207
203: ok 208
203: ok 209
203: ok 210
203: ok 211
203: ok 212
203: ok 213
203: ok 214
203: ok 215
203: ok 216
203: ok 217
203: ok 218
203: ok 219
203: ok 220
203: ok 221
203: ok 222
203: ok 223
203: ok 224
203: ok 225
203: ok 226
203: ok 227
203: ok 228
203: 1..228
200/223 Test #203: test_smartsparse_1 ...............   Passed    0.02 sec
test 204
        Start 204: test_smilesmatch_1
204: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilesmatch" "1"
204: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
204: Environment variables: 
204:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
204:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
204: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5em8_5q4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5emj_5qj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5emk_5qh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eml_5qk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5emm_5ql.sdf
204: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5en3_7lu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5en4_5q6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enb_5q5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enc_5qd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ene_5q8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enf_5q7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eng_5qn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enh_5qb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eni_5qa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enj_5q9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enk_5qv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enm_5qu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enn_5qs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eno_5qg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enp_5qf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enq_5qe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5enr_mbx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ens_rhq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eob_5qq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eol_5qo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ep7_5qr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5epb_5qw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5epr_5qy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eps_5qx.sdf
201: ok 1 # correct ring bond data
201: ok 2 # correct ring bond data
201: ok 3 # correct ring bond data
201: ok 4 # correct ring bond data
201: ok 5 # correct ring bond data
201: ok 6 # correct ring bond data
201: ok 7 # correct ring bond data
201: ok 8 # correct ring bond data
201: ok 9 # correct ring bond data
201: ok 10 # correct ring bond data
201: ok 11 # correct ring bond data
201: ok 12 # correct ring bond data
201: ok 13 # correct ring bond data
201: ok 14 # SSSR size matches reference
201: ok 15 # correct SSSR count
201: ok 16 # ring membership passed
201: ok 17 # correct SSSR count
201: ok 18 # ring membership passed
201: ok 19 # correct SSSR count
201: ok 20 # ring membership passed
201: ok 21 # correct SSSR count
201: ok 22 # ring membership passed
201: ok 23 # correct SSSR count
201: ok 24 # ring membership passed
201: ok 25 # correct SSSR count
201: ok 26 # ring membership passed
201: ok 27 # correct SSSR count
201: ok 28 # ring membership passed
201: ok 29 # correct SSSR count
201: ok 30 # ring membership passed
201: ok 31 # correct SSSR count
201: ok 32 # ring membership passed
201: ok 33 # correct SSSR count
201: ok 34 # ring membership passed
201: ok 35 # correct SSSR count
201: ok 36 # ring membership passed
201: ok 37 # correct SSSR count
201: ok 38 # ring membership passed
201: ok 39 # correct ring bond data
201: ok 40 # correct ring bond data
201: ok 41 # correct ring bond data
201: ok 42 # correct ring bond data
201: ok 43 # correct ring bond data
201: ok 44 # correct ring bond data
201: ok 45 # correct ring bond data
201: ok 46 # correct ring bond data
201: ok 47 # correct ring bond data
201: ok 48 # correct ring bond data
201: ok 49 # correct ring bond data
201: ok 50 # correct ring bond data
201: ok 51 # correct ring bond data
201: ok 52 # correct ring bond data
201: ok 53 # correct ring bond data
201: ok 54 # SSSR size matches reference
201: ok 55 # correct SSSR count
201: ok 56 # ring membership passed
201: ok 57 # correct SSSR count
201: ok 58 # ring membership passed
201: ok 59 # correct SSSR count
201: ok 60 # ring membership passed
201: ok 61 # correct SSSR count
201: ok 62 # ring membership passed
201: ok 63 # correct SSSR count
201: ok 64 # ring membership passed
201: ok 65 # correct SSSR count
201: ok 66 # ring membership passed
201: ok 67 # correct SSSR count
201: ok 68 # ring membership passed
201: ok 69 # correct SSSR count
201: ok 70 # ring membership passed
201: ok 71 # correct SSSR count
201: ok 72 # ring membership passed
201: ok 73 # correct SSSR count
201: ok 74 # ring membership passed
201: ok 75 # correct SSSR count
201: ok 76 # ring membership passed
201: ok 77 # correct SSSR count
201: ok 78 # ring membership passed
201: ok 79 # correct SSSR count
201: ok 80 # ring membership passed
201: ok 81 # correct SSSR count
201: ok 82 # ring membership passed
201: ok 83 # correct ring bond data
201: ok 84 # correct ring bond data
201: ok 85 # correct ring bond data
201: ok 86 # correct ring bond data
201: ok 87 # correct ring bond data
201: ok 88 # correct ring bond data
201: ok 89 # correct ring bond data
201: ok 90 # correct ring bond data
201: ok 91 # correct ring bond data
201: ok 92 # correct ring bond data
201: ok 93 # SSSR size matches reference
201: ok 94 # correct SSSR count
201: ok 95 # ring membership passed
201: ok 96 # correct SSSR count
201: ok 97 # ring membership passed
201: ok 98 # correct SSSR count
201: ok 99 # ring membership passed
201: ok 100 # correct SSSR count
201: ok 101 # ring membership passed
201: ok 102 # correct SSSR count
201: ok 103 # ring membership passed
201: ok 104 # correct SSSR count
201: ok 105 # ring membership passed
201: ok 106 # correct SSSR count
201: ok 107 # ring membership passed
201: ok 108 # correct SSSR count
201: ok 109 # ring membership passed
201: ok 110 # correct SSSR count
201: ok 111 # ring membership passed
201: ok 112 # correct SSSR count
201: ok 113 # ring membership passed
201: ok 114 # correct ring bond data
201: ok 115 # correct ring bond data
201: ok 116 # correct ring bond data
201: ok 117 # correct ring bond data
201: ok 118 # correct ring bond data
201: ok 119 # correct ring bond data
201: ok 120 # correct ring bond data
201: ok 121 # correct ring bond data
201: ok 122 # correct ring bond data
201: ok 123 # correct ring bond data
201: ok 124 # correct ring bond data
201: ok 125 # correct ring bond data
201: ok 126 # correct ring bond data
201: ok 127 # correct ring bond data
201: ok 128 # correct ring bond data
201: ok 129 # correct ring bond data
201: ok 130 # correct ring bond data
201: ok 131 # correct ring bond data
201: ok 132 # correct ring bond data
201: ok 133 # correct ring bond data
201: ok 134 # correct ring bond data
201: ok 135 # correct ring bond data
201: ok 136 # correct ring bond data
201: ok 137 # correct ring bond data
201: ok 138 # SSSR size matches reference
201: ok 139 # correct SSSR count
201: ok 140 # ring membership passed
201: ok 141 # correct SSSR count
201: ok 142 # ring membership passed
201: ok 143 # correct SSSR count
201: ok 144 # ring membership passed
201: ok 145 # correct SSSR count
201: ok 146 # ring membership passed
201: ok 147 # correct SSSR count
201: ok 148 # ring membership passed
201: ok 149 # correct SSSR count
201: ok 150 # ring membership passed
201: ok 151 # correct SSSR count
201: ok 152 # ring membership passed
201: ok 153 # correct SSSR count
201: ok 154 # ring membership passed
201: ok 155 # correct SSSR count
201: ok 156 # ring membership passed
201: ok 157 # correct SSSR count
201: ok 158 # ring membership passed
201: ok 159 # correct SSSR count
201: ok 160 # ring membership passed
201: ok 161 # correct SSSR count
201: ok 162 # ring membership passed
201: ok 163 # correct SSSR count
201: ok 164 # ring membership passed
201: ok 165 # correct SSSR count
201: ok 166 # ring membership passed
201: ok 167 # correct SSSR count
201: ok 168 # ring membership passed
201: ok 169 # correct SSSR count
201: ok 170 # ring membership passed
201: ok 171 # correct SSSR count
201: ok 172 # ring membership passed
201: ok 173 # correct SSSR count
201: ok 174 # ring membership passed
201: ok 175 # correct SSSR count
201: ok 176 # ring membership passed
201: ok 177 # correct SSSR count
201: ok 178 # ring membership passed
201: ok 179 # correct SSSR count
201: ok 180 # ring membership passed
201: ok 181 # correct SSSR count
201: ok 182 # ring membership passed
201: ok 183 # correct ring bond data
201: ok 184 # correct ring bond data
201: ok 185 # correct ring bond data
201: ok 186 # correct ring bond data
201: ok 187 # correct ring bond data
201: ok 188 # correct ring bond data
201: ok 189 # correct ring bond data
201: ok 190 # correct ring bond data
201: ok 191 # correct ring bond data
201: ok 192 # correct ring bond data
201: ok 193 # correct ring bond data
201: ok 194 # correct ring bond data
201: ok 195 # correct ring bond data
201: ok 196 # correct ring bond data
201: ok 197 # correct ring bond data
201: ok 198 # correct ring bond data
201: ok 199 # correct ring bond data
201: ok 200 # correct ring bond data
201: ok 201 # correct ring bond data
201: ok 202 # correct ring bond data
201: ok 203 # correct ring bond data
201: ok 204 # correct ring bond data
201: ok 205 # correct ring bond data
201: ok 206 # correct ring bond data
201: ok 207 # SSSR size matches reference
201: ok 208 # correct SSSR count
201: ok 209 # ring membership passed
201: ok 210 # correct SSSR count
201: ok 211 # ring membership passed
201: ok 212 # correct SSSR count
201: ok 213 # ring membership passed
201: ok 214 # correct SSSR count
201: ok 215 # ring membership passed
201: ok 216 # correct SSSR count
201: ok 217 # ring membership passed
201: ok 218 # correct SSSR count
201: ok 219 # ring membership passed
201: ok 220 # correct SSSR count
201: ok 221 # ring membership passed
201: ok 222 # correct SSSR count
201: ok 223 # ring membership passed
201: ok 224 # correct SSSR count
201: ok 225 # ring membership passed
201: ok 226 # correct SSSR count
201: ok 227 # ring membership passed
201: ok 228 # correct SSSR count
201: ok 229 # ring membership passed
201: ok 230 # correct SSSR count
201: ok 231 # ring membership passed
201: ok 232 # correct SSSR count
201: ok 233 # ring membership passed
201: ok 234 # correct SSSR count
201: ok 235 # ring membership passed
201: ok 236 # correct SSSR count
201: ok 237 # ring membership passed
201: ok 238 # correct SSSR count
201: ok 239 # ring membership passed
201: ok 240 # correct SSSR count
201: ok 241 # ring membership passed
201: ok 242 # correct SSSR count
201: ok 243 # ring membership passed
201: ok 244 # correct SSSR count
201: ok 245 # ring membership passed
201: ok 246 # correct SSSR count
201: ok 247 # ring membership passed
201: ok 248 # correct SSSR count
201: ok 249 # ring membership passed
201: ok 250 # correct SSSR count
201: ok 251 # ring membership passed
201: ok 252 # correct ring bond data
201: ok 253 # correct ring bond data
201: ok 254 # correct ring bond data
201: ok 255 # correct ring bond data
201: ok 256 # correct ring bond data
201: ok 257 # correct ring bond data
201: ok 258 # correct ring bond data
201: ok 259 # correct ring bond data
201: ok 260 # correct ring bond data
201: ok 261 # correct ring bond data
201: ok 262 # correct ring bond data
201: ok 263 # correct ring bond data
201: ok 264 # correct ring bond data
201: ok 265 # correct ring bond data
201: ok 266 # correct ring bond data
201: ok 267 # correct ring bond data
201: ok 268 # correct ring bond data
201: ok 269 # correct ring bond data
201: ok 270 # correct ring bond data
201: ok 271 # correct ring bond data
201: ok 272 # correct ring bond data
201: ok 273 # correct ring bond data
201: ok 274 # correct ring bond data
201: ok 275 # correct ring bond data
201: ok 276 # correct ring bond data
201: ok 277 # SSSR size matches reference
201: ok 278 # correct SSSR count
201: ok 279 # ring membership passed
201: ok 280 # correct SSSR count
201: ok 281 # ring membership passed
201: ok 282 # correct SSSR count
201: ok 283 # ring membership passed
201: ok 284 # correct SSSR count
201: ok 285 # ring membership passed
201: ok 286 # correct SSSR count
201: ok 287 # ring membership passed
201: ok 288 # correct SSSR count
201: ok 289 # ring membership passed
201: ok 290 # correct SSSR count
201: ok 291 # ring membership passed
201: ok 292 # correct SSSR count
201: ok 293 # ring membership passed
201: ok 294 # correct SSSR count
201: ok 295 # ring membership passed
201: ok 296 # correct SSSR count
201: ok 297 # ring membership passed
201: ok 298 # correct SSSR count
201: ok 299 # ring membership passed
201: ok 300 # correct SSSR count
201: ok 301 # ring membership passed
201: ok 302 # correct SSSR count
201: ok 303 # ring membership passed
201: ok 304 # correct SSSR count
201: ok 305 # ring membership passed
201: ok 306 # correct SSSR count
201: ok 307 # ring membership passed
201: ok 308 # correct SSSR count
201: ok 309 # ring membership passed
201: ok 310 # correct SSSR count
201: ok 311 # ring membership passed
201: ok 312 # correct SSSR count
201: ok 313 # ring membership passed
201: ok 314 # correct SSSR count
201: ok 315 # ring membership passed
201: ok 316 # correct SSSR count
201: ok 317 # ring membership passed
201: ok 318 # correct SSSR count
201: ok 319 # ring membership passed
201: ok 320 # correct SSSR count
201: ok 321 # ring membership passed
201: ok 322 # correct SSSR count
201: ok 323 # ring membership passed
201: ok 324 # correct ring bond data
201: ok 325 # correct ring bond data
201: ok 326 # correct ring bond data
201: ok 327 # correct ring bond data
201: ok 328 # correct ring bond data
201: ok 329 # correct ring bond data
201: ok 330 # correct ring bond data
201: ok 331 # SSSR size matches reference
201: ok 332 # correct SSSR count
201: ok 333 # ring membership passed
201: ok 334 # correct SSSR count
201: ok 335 # ring membership passed
201: ok 336 # correct SSSR count
201: ok 337 # ring membership passed
201: ok 338 # correct SSSR count
201: ok 339 # ring membership passed
201: ok 340 # correct SSSR count
201: ok 341 # ring membership passed
201: ok 342 # correct SSSR count
201: ok 343 # ring membership passed
201: ok 344 # correct SSSR count
201: ok 345 # ring membership passed
201: ok 346 # correct SSSR count
201: ok 347 # ring membership passed
201: ok 348 # correct ring bond data
201: ok 349 # correct ring bond data
201: ok 350 # correct ring bond data
201: ok 351 # correct ring bond data
201: ok 352 # correct ring bond data
201: ok 353 # correct ring bond data
201: ok 354 # correct ring bond data
201: ok 355 # correct ring bond data
201: ok 356 # correct ring bond data
201: ok 357 # correct ring bond data
201: ok 358 # correct ring bond data
201: ok 359 # correct ring bond data
201: ok 360 # correct ring bond data
201: ok 361 # correct ring bond data
201: ok 362 # correct ring bond data
201: ok 363 # correct ring bond data
201: ok 364 # correct ring bond data
201: ok 365 # correct ring bond data
201: ok 366 # correct ring bond data
201: ok 367 # correct ring bond data
201: ok 368 # correct ring bond data
201: ok 369 # correct ring bond data
201: ok 370 # correct ring bond data
201: ok 371 # SSSR size matches reference
201: ok 372 # correct SSSR count
201: ok 373 # ring membership passed
201: ok 374 # correct SSSR count
201: ok 375 # ring membership passed
201: ok 376 # correct SSSR count
201: ok 377 # ring membership passed
201: ok 378 # correct SSSR count
201: ok 379 # ring membership passed
201: ok 380 # correct SSSR count
201: ok 381 # ring membership passed
201: ok 382 # correct SSSR count
201: ok 383 # ring membership passed
201: ok 384 # correct SSSR count
201: ok 385 # ring membership passed
201: ok 386 # correct SSSR count
201: ok 387 # ring membership passed
201: ok 388 # correct SSSR count
201: ok 389 # ring membership passed
201: ok 390 # correct SSSR count
201: ok 391 # ring membership passed
201: ok 392 # correct SSSR count
201: ok 393 # ring membership passed
201: ok 394 # correct SSSR count
201: ok 395 # ring membership passed
201: ok 396 # correct SSSR count
201: ok 397 # ring membership passed
201: ok 398 # correct SSSR count
201: ok 399 # ring membership passed
201: ok 400 # correct SSSR count
201: ok 401 # ring membership passed
201: ok 402 # correct SSSR count
201: ok 403 # ring membership passed
201: ok 404 # correct SSSR count
201: ok 405 # ring membership passed
201: ok 406 # correct SSSR count
201: ok 407 # ring membership passed
201: ok 408 # correct SSSR count
201: ok 409 # ring membership passed
201: ok 410 # correct SSSR count
201: ok 411 # ring membership passed
201: ok 412 # correct SSSR count
201: ok 413 # ring membership passed
201: ok 414 # correct ring bond data
201: ok 415 # correct ring bond data
201: ok 416 # correct ring bond data
201: ok 417 # correct ring bond data
201: ok 418 # correct ring bond data
201: ok 419 # correct ring bond data
201: ok 420 # correct ring bond data
201: ok 421 # correct ring bond data
201: ok 422 # correct ring bond data
201: ok 423 # correct ring bond data
201: ok 424 # SSSR size matches reference
201: ok 425 # correct SSSR count
201: ok 426 # ring membership passed
201: ok 427 # correct SSSR count
201: ok 428 # ring membership passed
201: ok 429 # correct SSSR count
201: ok 430 # ring membership passed
201: ok 431 # correct SSSR count
201: ok 432 # ring membership passed
201: ok 433 # correct SSSR count
201: ok 434 # ring membership passed
201: ok 435 # correct SSSR count
201: ok 436 # ring membership passed
201: ok 437 # correct SSSR count
201: ok 438 # ring membership passed
201: ok 439 # correct SSSR count
201: ok 440 # ring membership passed
201: ok 441 # correct SSSR count
201: ok 442 # ring membership passed
201: ok 443 # correct SSSR count
201: ok 444 # ring membership passed
201: ok 445 # correct ring bond data
201: ok 446 # correct ring bond data
201: ok 447 # correct ring bond data
201: ok 448 # correct ring bond data
201: ok 449 # correct ring bond data
201: ok 450 # correct ring bond data
201: ok 451 # correct ring bond data
201: ok 452 # correct ring bond data
201: ok 453 # correct ring bond data
201: ok 454 # correct ring bond data
201: ok 455 # correct ring bond data
201: ok 456 # correct ring bond data
201: ok 457 # correct ring bond data
201: ok 458 # correct ring bond data
201: ok 459 # SSSR size matches reference
201: ok 460 # correct SSSR count
201: ok 461 # ring membership passed
201: ok 462 # correct SSSR count
201: ok 463 # ring membership passed
201: ok 464 # correct SSSR count
201: ok 465 # ring membership passed
201: ok 466 # correct SSSR count
201: ok 467 # ring membership passed
201: ok 468 # correct SSSR count
201: ok 469 # ring membership passed
201: ok 470 # correct SSSR count
201: ok 471 # ring membership passed
201: ok 472 # correct SSSR count
201: ok 473 # ring membership passed
201: ok 474 # correct SSSR count
201: ok 475 # ring membership passed
201: ok 476 # correct SSSR count
201: ok 477 # ring membership passed
201: ok 478 # correct SSSR count
201: ok 479 # ring membership passed
201: ok 480 # correct SSSR count
201: ok 481 # ring membership passed
201: ok 482 # correct SSSR count
201: ok 483 # ring membership passed
201: ok 484 # correct SSSR count
201: ok 485 # ring membership passed
201: ok 486 # correct ring bond data
201: ok 487 # correct ring bond data
201: ok 488 # correct ring bond data
201: ok 489 # correct ring bond data
201: ok 490 # correct ring bond data
201: ok 491 # correct ring bond data
201: ok 492 # correct ring bond data
201: ok 493 # correct ring bond data
201: ok 494 # correct ring bond data
201: ok 495 # correct ring bond data
201: ok 496 # correct ring bond data
201: ok 497 # correct ring bond data
201: ok 498 # correct ring bond data
201: ok 499 # correct ring bond data
201: ok 500 # correct ring bond data
201: ok 501 # correct ring bond data
201: ok 502 # SSSR size matches reference
201: ok 503 # correct SSSR count
201: ok 504 # ring membership passed
201: ok 505 # correct SSSR count
201: ok 506 # ring membership passed
201: ok 507 # correct SSSR count
201: ok 508 # ring membership passed
201: ok 509 # correct SSSR count
201: ok 510 # ring membership passed
201: ok 511 # correct SSSR count
201: ok 512 # ring membership passed
201: ok 513 # correct SSSR count
201: ok 514 # ring membership passed
201: ok 515 # correct SSSR count
201: ok 516 # ring membership passed
201: ok 517 # correct SSSR count
201: ok 518 # ring membership passed
201: ok 519 # correct SSSR count
201: ok 520 # ring membership passed
201: ok 521 # correct SSSR count
201: ok 522 # ring membership passed
201: ok 523 # correct SSSR count
201: ok 524 # ring membership passed
201: ok 525 # correct SSSR count
201: ok 526 # ring membership passed
201: ok 527 # correct SSSR count
201: ok 528 # ring membership passed
201: ok 529 # correct SSSR count
201: ok 530 # ring membership passed
201: ok 531 # correct SSSR count
201: ok 532 # ring membership passed
201: ok 533 # correct ring bond data
201: ok 534 # correct ring bond data
201: ok 535 # correct ring bond data
201: ok 536 # correct ring bond data
201: ok 537 # correct ring bond data
201: ok 538 # correct ring bond data
201: ok 539 # correct ring bond data
201: ok 540 # correct ring bond data
201: ok 541 # correct ring bond data
201: ok 542 # correct ring bond data
201: ok 543 # correct ring bond data
201: ok 544 # correct ring bond data
201: ok 545 # correct ring bond data
201: ok 546 # correct ring bond data
201: ok 547 # correct ring bond data
201: ok 548 # SSSR size matches reference
201: ok 549 # correct SSSR count
201: ok 550 # ring membership passed
201: ok 551 # correct SSSR count
201: ok 552 # ring membership passed
201: ok 553 # correct SSSR count
201: ok 554 # ring membership passed
201: ok 555 # correct SSSR count
201: ok 556 # ring membership passed
201: ok 557 # correct SSSR count
201: ok 558 # ring membership passed
201: ok 559 # correct SSSR count
201: ok 560 # ring membership passed
201: ok 561 # correct SSSR count
201: ok 562 # ring membership passed
201: ok 563 # correct SSSR count
201: ok 564 # ring membership passed
201: ok 565 # correct SSSR count
201: ok 566 # ring membership passed
201: ok 567 # correct SSSR count
201: ok 568 # ring membership passed
201: ok 569 # correct SSSR count
201: ok 570 # ring membership passed
201: ok 571 # correct SSSR count
201: ok 572 # ring membership passed
201: ok 573 # correct SSSR count
201: ok 574 # ring membership passed
201: ok 575 # correct SSSR count
201: ok 576 # ring membership passed
201: ok 577 # correct ring bond data
201: ok 578 # correct ring bond data
201: ok 579 # correct ring bond data
201: ok 580 # correct ring bond data
201: ok 581 # correct ring bond data
201: ok 582 # correct ring bond data
201: ok 583 # correct ring bond data
201: ok 584 # correct ring bond data
201: ok 585 # correct ring bond data
201: ok 586 # correct ring bond data
201: ok 587 # correct ring bond data
201: ok 588 # correct ring bond data
201: ok 589 # correct ring bond data
201: ok 590 # correct ring bond data
201: ok 591 # correct ring bond data
201: ok 592 # correct ring bond data
201: ok 593 # SSSR size matches reference
201: ok 594 # correct SSSR count
201: ok 595 # ring membership passed
201: ok 596 # correct SSSR count
201: ok 597 # ring membership passed
201: ok 598 # correct SSSR count
201: ok 599 # ring membership passed
201: ok 600 # correct SSSR count
201: ok 601 # ring membership passed
201: ok 602 # correct SSSR count
201: ok 603 # ring membership passed
201: ok 604 # correct SSSR count
201: ok 605 # ring membership passed
201: ok 606 # correct SSSR count
201: ok 607 # ring membership passed
201: ok 608 # correct SSSR count
201: ok 609 # ring membership passed
201: ok 610 # correct SSSR count
201: ok 611 # ring membership passed
201: ok 612 # correct SSSR count
201: ok 613 # ring membership passed
201: ok 614 # correct SSSR count
201: ok 615 # ring membership passed
201: ok 616 # correct SSSR count
201: ok 617 # ring membership passed
201: ok 618 # correct SSSR count
201: ok 619 # ring membership passed
201: ok 620 # correct SSSR count
201: ok 621 # ring membership passed
201: ok 622 # correct SSSR count
201: ok 623 # ring membership passed
201: ok 624 # correct ring bond data
201: ok 625 # correct ring bond data
201: ok 626 # correct ring bond data
201: ok 627 # correct ring bond data
201: ok 628 # correct ring bond data
201: ok 629 # correct ring bond data
201: ok 630 # correct ring bond data
201: ok 631 # correct ring bond data
201: ok 632 # correct ring bond data
201: ok 633 # correct ring bond data
201: ok 634 # correct ring bond data
201: ok 635 # correct ring bond data
201: ok 636 # correct ring bond data
201: ok 637 # correct ring bond data
201: ok 638 # correct ring bond data
201: ok 639 # correct ring bond data
201: ok 640 # correct ring bond data
201: ok 641 # SSSR size matches reference
201: ok 642 # correct SSSR count
201: ok 643 # ring membership passed
201: ok 644 # correct SSSR count
201: ok 645 # ring membership passed
201: ok 646 # correct SSSR count
201: ok 647 # ring membership passed
201: ok 648 # correct SSSR count
201: ok 649 # ring membership passed
201: ok 650 # correct SSSR count
201: ok 651 # ring membership passed
201: ok 652 # correct SSSR count
201: ok 653 # ring membership passed
201: ok 654 # correct SSSR count
201: ok 655 # ring membership passed
201: ok 656 # correct SSSR count
201: ok 657 # ring membership passed
201: ok 658 # correct SSSR count
201: ok 659 # ring membership passed
201: ok 660 # correct SSSR count
201: ok 661 # ring membership passed
201: ok 662 # correct SSSR count
201: ok 663 # ring membership passed
201: ok 664 # correct SSSR count
201: ok 665 # ring membership passed
201: ok 666 # correct SSSR count
201: ok 667 # ring membership passed
201: ok 668 # correct SSSR count
201: ok 669 # ring membership passed
201: ok 670 # correct SSSR count
201: ok 671 # ring membership passed
201: ok 672 # correct SSSR count
201: ok 673 # ring membership passed
201: ok 674 # correct ring bond data
201: ok 675 # correct ring bond data
201: ok 676 # correct ring bond data
201: ok 677 # correct ring bond data
201: ok 678 # correct ring bond data
201: ok 679 # correct ring bond data
201: ok 680 # correct ring bond data
201: ok 681 # correct ring bond data
201: ok 682 # correct ring bond data
201: ok 683 # correct ring bond data
201: ok 684 # correct ring bond data
201: ok 685 # correct ring bond data
201: ok 686 # correct ring bond data
201: ok 687 # correct ring bond data
201: ok 688 # correct ring bond data
201: ok 689 # correct ring bond data
201: ok 690 # correct ring bond data
201: ok 691 # correct ring bond data
201: ok 692 # correct ring bond data
201: ok 693 # SSSR size matches reference
201: ok 694 # correct SSSR count
201: ok 695 # ring membership passed
201: ok 696 # correct SSSR count
201: ok 697 # ring membership passed
201: ok 698 # correct SSSR count
201: ok 699 # ring membership passed
201: ok 700 # correct SSSR count
201: ok 701 # ring membership passed
201: ok 702 # correct SSSR count
201: ok 703 # ring membership passed
201: ok 704 # correct SSSR count
201: ok 705 # ring membership passed
201: ok 706 # correct SSSR count
201: ok 707 # ring membership passed
201: ok 708 # correct SSSR count
201: ok 709 # ring membership passed
201: ok 710 # correct SSSR count
201: ok 711 # ring membership passed
201: ok 712 # correct SSSR count
201: ok 713 # ring membership passed
201: ok 714 # correct SSSR count
201: ok 715 # ring membership passed
201: ok 716 # correct SSSR count
201: ok 717 # ring membership passed
201: ok 718 # correct SSSR count
201: ok 719 # ring membership passed
201: ok 720 # correct SSSR count
201: ok 721 # ring membership passed
201: ok 722 # correct SSSR count
201: ok 723 # ring membership passed
201: ok 724 # correct SSSR count
201: ok 725 # ring membership passed
201: ok 726 # correct SSSR count
201: ok 727 # ring membership passed
201: ok 728 # correct SSSR count
201: ok 729 # ring membership passed
201: ok 730 # correct ring bond data
201: ok 731 # correct ring bond data
201: ok 732 # correct ring bond data
201: ok 733 # correct ring bond data
201: ok 734 # correct ring bond data
201: ok 735 # correct ring bond data
201: ok 736 # correct ring bond data
201: ok 737 # correct ring bond data
201: ok 738 # correct ring bond data
201: ok 739 # correct ring bond data
201: ok 740 # correct ring bond data
201: ok 741 # correct ring bond data
201: ok 742 # correct ring bond data
201: ok 743 # correct ring bond data
201: ok 744 # correct ring bond data
201: ok 745 # correct ring bond data
201: ok 746 # SSSR size matches reference
201: ok 747 # correct SSSR count
201: ok 748 # ring membership passed
201: ok 749 # correct SSSR count
201: ok 750 # ring membership passed
201: ok 751 # correct SSSR count
201: ok 752 # ring membership passed
201: ok 753 # correct SSSR count
201: ok 754 # ring membership passed
201: ok 755 # correct SSSR count
201: ok 756 # ring membership passed
201: ok 757 # correct SSSR count
201: ok 758 # ring membership passed
201: ok 759 # correct SSSR count
201: ok 760 # ring membership passed
201: ok 761 # correct SSSR count
201: ok 762 # ring membership passed
201: ok 763 # correct SSSR count
201: ok 764 # ring membership passed
201: ok 765 # correct SSSR count
201: ok 766 # ring membership passed
201: ok 767 # correct SSSR count
201: ok 768 # ring membership passed
201: ok 769 # correct SSSR count
201: ok 770 # ring membership passed
201: ok 771 # correct SSSR count
201: ok 772 # ring membership passed
201: ok 773 # correct SSSR count
201: ok 774 # ring membership passed
201: ok 775 # correct SSSR count
201: ok 776 # ring membership passed
201: ok 777 # correct ring bond data
201: ok 778 # correct ring bond data
201: ok 779 # correct ring bond data
201: ok 780 # correct ring bond data
201: ok 781 # correct ring bond data
201: ok 782 # correct ring bond data
201: ok 783 # correct ring bond data
201: ok 784 # correct ring bond data
201: ok 785 # correct ring bond data
201: ok 786 # correct ring bond data
201: ok 787 # correct ring bond data
201: ok 788 # correct ring bond data
201: ok 789 # correct ring bond data
201: ok 790 # correct ring bond data
201: ok 791 # correct ring bond data
201: ok 792 # correct ring bond data
201: ok 793 # correct ring bond data
201: ok 794 # SSSR size matches reference
201: ok 795 # correct SSSR count
201: ok 796 # ring membership passed
201: ok 797 # correct SSSR count
201: ok 798 # ring membership passed
201: ok 799 # correct SSSR count
201: ok 800 # ring membership passed
201: ok 801 # correct SSSR count
201: ok 802 # ring membership passed
201: ok 803 # correct SSSR count
201: ok 804 # ring membership passed
201: ok 805 # correct SSSR count
201: ok 806 # ring membership passed
201: ok 807 # correct SSSR count
201: ok 808 # ring membership passed
201: ok 809 # correct SSSR count
201: ok 810 # ring membership passed
201: ok 811 # correct SSSR count
201: ok 812 # ring membership passed
201: ok 813 # correct SSSR count
201: ok 814 # ring membership passed
201: ok 815 # correct SSSR count
201: ok 816 # ring membership passed
201: ok 817 # correct SSSR count
201: ok 818 # ring membership passed
201: ok 819 # correct SSSR count
201: ok 820 # ring membership passed
201: ok 821 # correct SSSR count
201: ok 822 # ring membership passed
201: ok 823 # correct SSSR count
201: ok 824 # ring membership passed
201: ok 825 # correct SSSR count
201: ok 826 # ring membership passed
201: ok 827 # correct ring bond data
201: ok 828 # correct ring bond data
201: ok 829 # correct ring bond data
201: ok 830 # correct ring bond data
201: ok 831 # correct ring bond data
201: ok 832 # correct ring bond data
201: ok 833 # correct ring bond data
201: ok 834 # correct ring bond data
201: ok 835 # correct ring bond data
201: ok 836 # correct ring bond data
201: ok 837 # correct ring bond data
201: ok 838 # correct ring bond data
201: ok 839 # correct ring bond data
201: ok 840 # correct ring bond data
201: ok 841 # correct ring bond data
201: ok 842 # correct ring bond data
201: ok 843 # correct ring bond data
201: ok 844 # correct ring bond data
201: ok 845 # correct ring bond data
201: ok 846 # correct ring bond data
201: ok 847 # correct ring bond data
201: ok 848 # correct ring bond data
201: ok 849 # SSSR size matches reference
201: ok 850 # correct SSSR count
201: ok 851 # ring membership passed
201: ok 852 # correct SSSR count
201: ok 853 # ring membership passed
201: ok 854 # correct SSSR count
201: ok 855 # ring membership passed
201: ok 856 # correct SSSR count
201: ok 857 # ring membership passed
201: ok 858 # correct SSSR count
201: ok 859 # ring membership passed
201: ok 860 # correct SSSR count
201: ok 861 # ring membership passed
201: ok 862 # correct SSSR count
201: ok 863 # ring membership passed
201: ok 864 # correct SSSR count
201: ok 865 # ring membership passed
201: ok 866 # correct SSSR count
201: ok 867 # ring membership passed
201: ok 868 # correct SSSR count
201: ok 869 # ring membership passed
201: ok 870 # correct SSSR count
201: ok 871 # ring membership passed
201: ok 872 # correct SSSR count
201: ok 873 # ring membership passed
201: ok 874 # correct SSSR count
201: ok 875 # ring membership passed
201: ok 876 # correct SSSR count
201: ok 877 # ring membership passed
201: ok 878 # correct SSSR count
201: ok 879 # ring membership passed
201: ok 880 # correct SSSR count
201: ok 881 # ring membership passed
201: ok 882 # correct SSSR count
201: ok 883 # ring membership passed
201: ok 884 # correct SSSR count
201: ok 885 # ring membership passed
201: ok 886 # correct SSSR count
201: ok 887 # ring membership passed
201: ok 888 # correct SSSR count
201: ok 889 # ring membership passed
201: ok 890 # correct ring bond data
201: ok 891 # correct ring bond data
201: ok 892 # correct ring bond data
201: ok 893 # correct ring bond data
201: ok 894 # correct ring bond data
201: ok 895 # correct ring bond data
201: ok 896 # correct ring bond data
201: ok 897 # correct ring bond data
201: ok 898 # correct ring bond data
201: ok 899 # correct ring bond data
201: ok 900 # correct ring bond data
201: ok 901 # correct ring bond data
201: ok 902 # correct ring bond data
201: ok 903 # correct ring bond data
201: ok 904 # correct ring bond data
201: ok 905 # correct ring bond data
201: ok 906 # correct ring bond data
201: ok 907 # correct ring bond data
201: ok 908 # correct ring bond data
201: ok 909 # correct ring bond data
201: ok 910 # correct ring bond data
201: ok 911 # correct ring bond data
201: ok 912 # correct ring bond data
201: ok 913 # SSSR size matches reference
201: ok 914 # correct SSSR count
201: ok 915 # ring membership passed
201: ok 916 # correct SSSR count
201: ok 917 # ring membership passed
201: ok 918 # correct SSSR count
201: ok 919 # ring membership passed
201: ok 920 # correct SSSR count
201: ok 921 # ring membership passed
201: ok 922 # correct SSSR count
201: ok 923 # ring membership passed
201: ok 924 # correct SSSR count
201: ok 925 # ring membership passed
201: ok 926 # correct SSSR count
201: ok 927 # ring membership passed
201: ok 928 # correct SSSR count
201: ok 929 # ring membership passed
201: ok 930 # correct SSSR count
201: ok 931 # ring membership passed
201: ok 932 # correct SSSR count
201: ok 933 # ring membership passed
201: ok 934 # correct SSSR count
201: ok 935 # ring membership passed
201: ok 936 # correct SSSR count
201: ok 937 # ring membership passed
201: ok 938 # correct SSSR count
201: ok 939 # ring membership passed
201: ok 940 # correct SSSR count
201: ok 941 # ring membership passed
201: ok 942 # correct SSSR count
201: ok 943 # ring membership passed
201: ok 944 # correct SSSR count
201: ok 945 # ring membership passed
201: ok 946 # correct SSSR count
201: ok 947 # ring membership passed
201: ok 948 # correct SSSR count
201: ok 949 # ring membership passed
201: ok 950 # correct SSSR count
201: ok 951 # ring membership passed
201: ok 952 # correct SSSR count
201: ok 953 # ring membership passed
201: ok 954 # correct SSSR count
201: ok 955 # ring membership passed
201: ok 956 # correct ring bond data
201: ok 957 # correct ring bond data
201: ok 958 # correct ring bond data
201: ok 959 # correct ring bond data
201: ok 960 # correct ring bond data
201: ok 961 # correct ring bond data
201: ok 962 # correct ring bond data
201: ok 963 # correct ring bond data
201: ok 964 # correct ring bond data
201: ok 965 # correct ring bond data
201: ok 966 # correct ring bond data
201: ok 967 # correct ring bond data
201: ok 968 # correct ring bond data
201: ok 969 # correct ring bond data
201: ok 970 # correct ring bond data
201: ok 971 # correct ring bond data
201: ok 972 # correct ring bond data
201: ok 973 # correct ring bond data
201: ok 974 # correct ring bond data
201: ok 975 # correct ring bond data
201: ok 976 # correct ring bond data
201: ok 977 # correct ring bond data
201: ok 978 # correct ring bond data
201: ok 979 # SSSR size matches reference
201: ok 980 # correct SSSR count
201: ok 981 # ring membership passed
201: ok 982 # correct SSSR count
201: ok 983 # ring membership passed
201: ok 984 # correct SSSR count
201: ok 985 # ring membership passed
201: ok 986 # correct SSSR count
201: ok 987 # ring membership passed
201: ok 988 # correct SSSR count
201: ok 989 # ring membership passed
201: ok 990 # correct SSSR count
201: ok 991 # ring membership passed
201: ok 992 # correct SSSR count
201: ok 993 # ring membership passed
201: ok 994 # correct SSSR count
201: ok 995 # ring membership passed
201: ok 996 # correct SSSR count
201: ok 997 # ring membership passed
201: ok 998 # correct SSSR count
201: ok 999 # ring membership passed
201: ok 1000 # correct SSSR count
201: ok 1001 # ring membership passed
201: ok 1002 # correct SSSR count
201: ok 1003 # ring membership passed
201: ok 1004 # correct SSSR count
201: ok 1005 # ring membership passed
201: ok 1006 # correct SSSR count
201: ok 1007 # ring membership passed
201: ok 1008 # correct SSSR count
201: ok 1009 # ring membership passed
201: ok 1010 # correct SSSR count
201: ok 1011 # ring membership passed
201: ok 1012 # correct SSSR count
201: ok 1013 # ring membership passed
201: ok 1014 # correct SSSR count
201: ok 1015 # ring membership passed
201: ok 1016 # correct SSSR count
201: ok 1017 # ring membership passed
201: ok 1018 # correct SSSR count
201: ok 1019 # ring membership passed
201: ok 1020 # correct SSSR count
201: ok 1021 # ring membership passed
201: ok 1022 # correct ring bond data
201: ok 1023 # correct ring bond data
201: ok 1024 # correct ring bond data
201: ok 1025 # correct ring bond data
201: ok 1026 # correct ring bond data
201: ok 1027 # correct ring bond data
201: ok 1028 # correct ring bond data
201: ok 1029 # correct ring bond data
201: ok 1030 # correct ring bond data
201: ok 1031 # correct ring bond data
201: ok 1032 # correct ring bond data
201: ok 1033 # correct ring bond data
201: ok 1034 # correct ring bond data
201: ok 1035 # correct ring bond data
201: ok 1036 # correct ring bond data
201: ok 1037 # correct ring bond data
201: ok 1038 # correct ring bond data
201: ok 1039 # correct ring bond data
201: ok 1040 # correct ring bond data
201: ok 1041 # correct ring bond data
201: ok 1042 # correct ring bond data
201: ok 1043 # correct ring bond data
201: ok 1044 # correct ring bond data
201: ok 1045 # SSSR size matches reference
201: ok 1046 # correct SSSR count
201: ok 1047 # ring membership passed
201: ok 1048 # correct SSSR count
201: ok 1049 # ring membership passed
201: ok 1050 # correct SSSR count
201: ok 1051 # ring membership passed
201: ok 1052 # correct SSSR count
201: ok 1053 # ring membership passed
201: ok 1054 # correct SSSR count
201: ok 1055 # ring membership passed
201: ok 1056 # correct SSSR count
201: ok 1057 # ring membership passed
201: ok 1058 # correct SSSR count
201: ok 1059 # ring membership passed
201: ok 1060 # correct SSSR count
201: ok 1061 # ring membership passed
201: ok 1062 # correct SSSR count
201: ok 1063 # ring membership passed
201: ok 1064 # correct SSSR count
201: ok 1065 # ring membership passed
201: ok 1066 # correct SSSR count
201: ok 1067 # ring membership passed
201: ok 1068 # correct SSSR count
201: ok 1069 # ring membership passed
201: ok 1070 # correct SSSR count
201: ok 1071 # ring membership passed
201: ok 1072 # correct SSSR count
201: ok 1073 # ring membership passed
201: ok 1074 # correct SSSR count
201: ok 1075 # ring membership passed
201: ok 1076 # correct SSSR count
201: ok 1077 # ring membership passed
201: ok 1078 # correct SSSR count
201: ok 1079 # ring membership passed
201: ok 1080 # correct SSSR count
201: ok 1081 # ring membership passed
201: ok 1082 # correct SSSR count
201: ok 1083 # ring membership passed
201: ok 1084 # correct SSSR count
201: ok 1085 # ring membership passed
201: ok 1086 # correct SSSR count
201: ok 1087 # ring membership passed
201: ok 1088 # correct ring bond data
201: ok 1089 # correct ring bond data
201: ok 1090 # correct ring bond data
201: ok 1091 # correct ring bond data
201: ok 1092 # correct ring bond data
201: ok 1093 # correct ring bond data
201: ok 1094 # correct ring bond data
201: ok 1095 # correct ring bond data
201: ok 1096 # correct ring bond data
201: ok 1097 # correct ring bond data
201: ok 1098 # correct ring bond data
201: ok 1099 # correct ring bond data
201: ok 1100 # correct ring bond data
201: ok 1101 # correct ring bond data
201: ok 1102 # correct ring bond data
201: ok 1103 # correct ring bond data
201: ok 1104 # correct ring bond data
201: ok 1105 # correct ring bond data
201: ok 1106 # SSSR size matches reference
201: ok 1107 # correct SSSR count
201: ok 1108 # ring membership passed
201: ok 1109 # correct SSSR count
201: ok 1110 # ring membership passed
201: ok 1111 # correct SSSR count
201: ok 1112 # ring membership passed
201: ok 1113 # correct SSSR count
201: ok 1114 # ring membership passed
201: ok 1115 # correct SSSR count
201: ok 1116 # ring membership passed
201: ok 1117 # correct SSSR count
201: ok 1118 # ring membership passed
201: ok 1119 # correct SSSR count
201: ok 1120 # ring membership passed
201: ok 1121 # correct SSSR count
201: ok 1122 # ring membership passed
201: ok 1123 # correct SSSR count
201: ok 1124 # ring membership passed
201: ok 1125 # correct SSSR count
201: ok 1126 # ring membership passed
201: ok 1127 # correct SSSR count
201: ok 1128 # ring membership passed
201: ok 1129 # correct SSSR count
201: ok 1130 # ring membership passed
201: ok 1131 # correct SSSR count
201: ok 1132 # ring membership passed
201: ok 1133 # correct SSSR count
201: ok 1134 # ring membership passed
201: ok 1135 # correct SSSR count
201: ok 1136 # ring membership passed
201: ok 1137 # correct SSSR count
201: ok 1138 # ring membership passed
201: ok 1139 # correct ring bond data
201: ok 1140 # correct ring bond data
201: ok 1141 # correct ring bond data
201: ok 1142 # correct ring bond data
201: ok 1143 # correct ring bond data
201: ok 1144 # correct ring bond data
201: ok 1145 # correct ring bond data
201: ok 1146 # correct ring bond data
201: ok 1147 # correct ring bond data
201: ok 1148 # correct ring bond data
201: ok 1149 # correct ring bond data
201: ok 1150 # correct ring bond data
201: ok 1151 # correct ring bond data
201: ok 1152 # correct ring bond data
201: ok 1153 # correct ring bond data
201: ok 1154 # correct ring bond data
201: ok 1155 # correct ring bond data
201: ok 1156 # correct ring bond data
201: ok 1157 # correct ring bond data
201: ok 1158 # correct ring bond data
201: ok 1159 # SSSR size matches reference
201: ok 1160 # correct SSSR count
201: ok 1161 # ring membership passed
201: ok 1162 # correct SSSR count
201: ok 1163 # ring membership passed
201: ok 1164 # correct SSSR count
201: ok 1165 # ring membership passed
201: ok 1166 # correct SSSR count
201: ok 1167 # ring membership passed
201: ok 1168 # correct SSSR count
201: ok 1169 # ring membership passed
201: ok 1170 # correct SSSR count
201: ok 1171 # ring membership passed
201: ok 1172 # correct SSSR count
201: ok 1173 # ring membership passed
201: ok 1174 # correct SSSR count
201: ok 1175 # ring membership passed
201: ok 1176 # correct SSSR count
201: ok 1177 # ring membership passed
201: ok 1178 # correct SSSR count
201: ok 1179 # ring membership passed
201: ok 1180 # correct SSSR count
201: ok 1181 # ring membership passed
201: ok 1182 # correct SSSR count
201: ok 1183 # ring membership passed
201: ok 1184 # correct SSSR count
201: ok 1185 # ring membership passed
201: ok 1186 # correct SSSR count
201: ok 1187 # ring membership passed
201: ok 1188 # correct SSSR count
201: ok 1189 # ring membership passed
201: ok 1190 # correct SSSR count
201: ok 1191 # ring membership passed
201: ok 1192 # correct SSSR count
201: ok 1193 # ring membership passed
201: ok 1194 # correct SSSR count
201: ok 1195 # ring membership passed
201: ok 1196 # correct ring bond data
201: ok 1197 # correct ring bond data
201: ok 1198 # correct ring bond data
201: ok 1199 # correct ring bond data
201: ok 1200 # correct ring bond data
201: ok 1201 # correct ring bond data
201: ok 1202 # correct ring bond data
201: ok 1203 # correct ring bond data
201: ok 1204 # correct ring bond data
201: ok 1205 # correct ring bond data
201: ok 1206 # SSSR size matches reference
201: ok 1207 # correct SSSR count
201: ok 1208 # ring membership passed
201: ok 1209 # correct SSSR count
201: ok 1210 # ring membership passed
201: ok 1211 # correct SSSR count
201: ok 1212 # ring membership passed
201: ok 1213 # correct SSSR count
201: ok 1214 # ring membership passed
201: ok 1215 # correct SSSR count
201: ok 1216 # ring membership passed
201: ok 1217 # correct SSSR count
201: ok 1218 # ring membership passed
201: ok 1219 # correct SSSR count
201: ok 1220 # ring membership passed
201: ok 1221 # correct SSSR count
201: ok 1222 # ring membership passed
201: ok 1223 # correct SSSR count
201: ok 1224 # ring membership passed
201: ok 1225 # correct SSSR count
201: ok 1226 # ring membership passed
201: ok 1227 # correct SSSR count
201: ok 1228 # ring membership passed
201: ok 1229 # correct ring bond data
201: ok 1230 # correct ring bond data
201: ok 1231 # correct ring bond data
201: ok 1232 # correct ring bond data
201: ok 1233 # correct ring bond data
201: ok 1234 # correct ring bond data
201: ok 1235 # correct ring bond data
201: ok 1236 # correct ring bond data
201: ok 1237 # correct ring bond data
201: ok 1238 # correct ring bond data
201: ok 1239 # correct ring bond data
201: ok 1240 # correct ring bond data
201: ok 1241 # correct ring bond data
201: ok 1242 # correct ring bond data
201: ok 1243 # correct ring bond data
201: ok 1244 # correct ring bond data
201: ok 1245 # correct ring bond data
201: ok 1246 # correct ring bond data
201: ok 1247 # correct ring bond data
201: ok 1248 # correct ring bond data
201: ok 1249 # correct ring bond data
201: ok 1250 # correct ring bond data
201: ok 1251 # SSSR size matches reference
201: ok 1252 # correct SSSR count
201: ok 1253 # ring membership passed
201: ok 1254 # correct SSSR count
201: ok 1255 # ring membership passed
201: ok 1256 # correct SSSR count
201: ok 1257 # ring membership passed
201: ok 1258 # correct SSSR count
201: ok 1259 # ring membership passed
201: ok 1260 # correct SSSR count
201: ok 1261 # ring membership passed
201: ok 1262 # correct SSSR count
201: ok 1263 # ring membership passed
201: ok 1264 # correct SSSR count
201: ok 1265 # ring membership passed
201: ok 1266 # correct SSSR count
201: ok 1267 # ring membership passed
201: ok 1268 # correct SSSR count
201: ok 1269 # ring membership passed
201: ok 1270 # correct SSSR count
201: ok 1271 # ring membership passed
201: ok 1272 # correct SSSR count
201: ok 1273 # ring membership passed
201: ok 1274 # correct SSSR count
201: ok 1275 # ring membership passed
201: ok 1276 # correct SSSR count
201: ok 1277 # ring membership passed
201: ok 1278 # correct SSSR count
201: ok 1279 # ring membership passed
201: ok 1280 # correct SSSR count
201: ok 1281 # ring membership passed
201: ok 1282 # correct SSSR count
201: ok 1283 # ring membership passed
201: ok 1284 # correct SSSR count
201: ok 1285 # ring membership passed
201: ok 1286 # correct SSSR count
201: ok 1287 # ring membership passed
201: ok 1288 # correct SSSR count
201: ok 1289 # ring membership passed
201: ok 1290 # correct SSSR count
201: ok 1291 # ring membership passed
201: ok 1292 # correct ring bond data
201: ok 1293 # correct ring bond data
201: ok 1294 # correct ring bond data
201: ok 1295 # correct ring bond data
201: ok 1296 # correct ring bond data
201: ok 1297 # correct ring bond data
201: ok 1298 # correct ring bond data
201: ok 1299 # correct ring bond data
201: ok 1300 # correct ring bond data
201: ok 1301 # correct ring bond data
201: ok 1302 # correct ring bond data
201: ok 1303 # correct ring bond data
201: ok 1304 # correct ring bond data
201: ok 1305 # correct ring bond data
201: ok 1306 # SSSR size matches reference
201: ok 1307 # correct SSSR count
201: ok 1308 # ring membership passed
201: ok 1309 # correct SSSR count
201: ok 1310 # ring membership passed
201: ok 1311 # correct SSSR count
201: ok 1312 # ring membership passed
201: ok 1313 # correct SSSR count
201: ok 1314 # ring membership passed
201: ok 1315 # correct SSSR count
201: ok 1316 # ring membership passed
201: ok 1317 # correct SSSR count
201: ok 1318 # ring membership passed
201: ok 1319 # correct SSSR count
201: ok 1320 # ring membership passed
201: ok 1321 # correct SSSR count
201: ok 1322 # ring membership passed
201: ok 1323 # correct SSSR count
201: ok 1324 # ring membership passed
201: ok 1325 # correct SSSR count
201: ok 1326 # ring membership passed
201: ok 1327 # correct SSSR count
201: ok 1328 # ring membership passed
201: ok 1329 # correct SSSR count
201: ok 1330 # ring membership passed
201: ok 1331 # correct SSSR count
201: ok 1332 # ring membership passed
201: ok 1333 # correct ring bond data
201: ok 1334 # correct ring bond data
201: ok 1335 # correct ring bond data
201: ok 1336 # correct ring bond data
201: ok 1337 # correct ring bond data
201: ok 1338 # correct ring bond data
201: ok 1339 # correct ring bond data
201: ok 1340 # correct ring bond data
201: ok 1341 # correct ring bond data
201: ok 1342 # correct ring bond data
201: ok 1343 # correct ring bond data
201: ok 1344 # correct ring bond data
201: ok 1345 # correct ring bond data
201: ok 1346 # correct ring bond data
201: ok 1347 # correct ring bond data
201: ok 1348 # correct ring bond data
201: ok 1349 # correct ring bond data
201: ok 1350 # correct ring bond data
201: ok 1351 # correct ring bond data
201: ok 1352 # correct ring bond data
201: ok 1353 # correct ring bond data
201: ok 1354 # correct ring bond data
201: ok 1355 # correct ring bond data
201: ok 1356 # correct ring bond data
201: ok 1357 # SSSR size matches reference
201: ok 1358 # correct SSSR count
201: ok 1359 # ring membership passed
201: ok 1360 # correct SSSR count
201: ok 1361 # ring membership passed
201: ok 1362 # correct SSSR count
201: ok 1363 # ring membership passed
201: ok 1364 # correct SSSR count
201: ok 1365 # ring membership passed
201: ok 1366 # correct SSSR count
201: ok 1367 # ring membership passed
201: ok 1368 # correct SSSR count
201: ok 1369 # ring membership passed
201: ok 1370 # correct SSSR count
201: ok 1371 # ring membership passed
201: ok 1372 # correct SSSR count
201: ok 1373 # ring membership passed
201: ok 1374 # correct SSSR count
201: ok 1375 # ring membership passed
201: ok 1376 # correct SSSR count
201: ok 1377 # ring membership passed
201: ok 1378 # correct SSSR count
201: ok 1379 # ring membership passed
201: ok 1380 # correct SSSR count
201: ok 1381 # ring membership passed
201: ok 1382 # correct SSSR count
201: ok 1383 # ring membership passed
201: ok 1384 # correct SSSR count
201: ok 1385 # ring membership passed
201: ok 1386 # correct SSSR count
201: ok 1387 # ring membership passed
201: ok 1388 # correct SSSR count
201: ok 1389 # ring membership passed
201: ok 1390 # correct SSSR count
201: ok 1391 # ring membership passed
201: ok 1392 # correct SSSR count
201: ok 1393 # ring membership passed
201: ok 1394 # correct SSSR count
201: ok 1395 # ring membership passed
201: ok 1396 # correct SSSR count
201: ok 1397 # ring membership passed
201: ok 1398 # correct SSSR count
201: ok 1399 # ring membership passed
201: ok 1400 # correct SSSR count
201: ok 1401 # ring membership passed
201: ok 1402 # correct ring bond data
201: ok 1403 # correct ring bond data
201: ok 1404 # correct ring bond data
201: ok 1405 # correct ring bond data
201: ok 1406 # correct ring bond data
201: ok 1407 # correct ring bond data
201: ok 1408 # correct ring bond data
201: ok 1409 # correct ring bond data
201: ok 1410 # correct ring bond data
201: ok 1411 # correct ring bond data
201: ok 1412 # correct ring bond data
201: ok 1413 # correct ring bond data
201: ok 1414 # correct ring bond data
201: ok 1415 # correct ring bond data
201: ok 1416 # correct ring bond data
201: ok 1417 # correct ring bond data
201: ok 1418 # correct ring bond data
201: ok 1419 # SSSR size matches reference
201: ok 1420 # correct SSSR count
201: ok 1421 # ring membership passed
201: ok 1422 # correct SSSR count
201: ok 1423 # ring membership passed
201: ok 1424 # correct SSSR count
201: ok 1425 # ring membership passed
201: ok 1426 # correct SSSR count
201: ok 1427 # ring membership passed
201: ok 1428 # correct SSSR count
201: ok 1429 # ring membership passed
201: ok 1430 # correct SSSR count
201: ok 1431 # ring membership passed
201: ok 1432 # correct SSSR count
201: ok 1433 # ring membership passed
201: ok 1434 # correct SSSR count
201: ok 1435 # ring membership passed
201: ok 1436 # correct SSSR count
201: ok 1437 # ring membership passed
201: ok 1438 # correct SSSR count
201: ok 1439 # ring membership passed
201: ok 1440 # correct SSSR count
201: ok 1441 # ring membership passed
201: ok 1442 # correct SSSR count
201: ok 1443 # ring membership passed
201: ok 1444 # correct SSSR count
201: ok 1445 # ring membership passed
201: ok 1446 # correct SSSR count
201: ok 1447 # ring membership passed
201: ok 1448 # correct SSSR count
201: ok 1449 # ring membership passed
201: ok 1450 # correct SSSR count
201: ok 1451 # ring membership passed
201: ok 1452 # correct SSSR count
201: ok 1453 # ring membership passed
201: ok 1454 # correct ring bond data
201: ok 1455 # correct ring bond data
201: ok 1456 # correct ring bond data
201: ok 1457 # correct ring bond data
201: ok 1458 # correct ring bond data
201: ok 1459 # correct ring bond data
201: ok 1460 # correct ring bond data
201: ok 1461 # correct ring bond data
201: ok 1462 # correct ring bond data
201: ok 1463 # correct ring bond data
201: ok 1464 # correct ring bond data
201: ok 1465 # correct ring bond data
201: ok 1466 # correct ring bond data
201: ok 1467 # correct ring bond data
201: ok 1468 # correct ring bond data
201: ok 1469 # correct ring bond data
201: ok 1470 # SSSR size matches reference
201: ok 1471 # correct SSSR count
201: ok 1472 # ring membership passed
201: ok 1473 # correct SSSR count
201: ok 1474 # ring membership passed
201: ok 1475 # correct SSSR count
201: ok 1476 # ring membership passed
201: ok 1477 # correct SSSR count
201: ok 1478 # ring membership passed
201: ok 1479 # correct SSSR count
201: ok 1480 # ring membership passed
201: ok 1481 # correct SSSR count
201: ok 1482 # ring membership passed
201: ok 1483 # correct SSSR count
201: ok 1484 # ring membership passed
201: ok 1485 # correct SSSR count
201: ok 1486 # ring membership passed
201: ok 1487 # correct SSSR count
201: ok 1488 # ring membership passed
201: ok 1489 # correct SSSR count
201: ok 1490 # ring membership passed
201: ok 1491 # correct SSSR count
201: ok 1492 # ring membership passed
201: ok 1493 # correct SSSR count
201: ok 1494 # ring membership passed
201: ok 1495 # correct SSSR count
201: ok 1496 # ring membership passed
201: ok 1497 # correct SSSR count
201: ok 1498 # ring membership passed
201: ok 1499 # correct SSSR count
201: ok 1500 # ring membership passed
201: ok 1501 # correct ring bond data
201: ok 1502 # correct ring bond data
201: ok 1503 # correct ring bond data
201: ok 1504 # correct ring bond data
201: ok 1505 # correct ring bond data
201: ok 1506 # correct ring bond data
201: ok 1507 # correct ring bond data
201: ok 1508 # correct ring bond data
201: ok 1509 # correct ring bond data
201: ok 1510 # correct ring bond data
201: ok 1511 # correct ring bond data
201: ok 1512 # correct ring bond data
201: ok 1513 # correct ring bond data
201: ok 1514 # correct ring bond data
201: ok 1515 # correct ring bond data
201: ok 1516 # correct ring bond data
201: ok 1517 # correct ring bond data
201: ok 1518 # correct ring bond data
201: ok 1519 # correct ring bond data
201: ok 1520 # SSSR size matches reference
201: ok 1521 # correct SSSR count
201: ok 1522 # ring membership passed
201: ok 1523 # correct SSSR count
201: ok 1524 # ring membership passed
201: ok 1525 # correct SSSR count
201: ok 1526 # ring membership passed
201: ok 1527 # correct SSSR count
201: ok 1528 # ring membership passed
201: ok 1529 # correct SSSR count
201: ok 1530 # ring membership passed
201: ok 1531 # correct SSSR count
201: ok 1532 # ring membership passed
201: ok 1533 # correct SSSR count
201: ok 1534 # ring membership passed
201: ok 1535 # correct SSSR count
201: ok 1536 # ring membership passed
201: ok 1537 # correct SSSR count
201: ok 1538 # ring membership passed
201: ok 1539 # correct SSSR count
201: ok 1540 # ring membership passed
201: ok 1541 # correct SSSR count
201: ok 1542 # ring membership passed
201: ok 1543 # correct SSSR count
201: ok 1544 # ring membership passed
201: ok 1545 # correct SSSR count
201: ok 1546 # ring membership passed
201: ok 1547 # correct SSSR count
201: ok 1548 # ring membership passed
201: ok 1549 # correct SSSR count
201: ok 1550 # ring membership passed
201: ok 1551 # correct SSSR count
201: ok 1552 # ring membership passed
201: ok 1553 # correct SSSR count
201: ok 1554 # ring membership passed
201: ok 1555 # correct SSSR count
201: ok 1556 # ring membership passed
201: ok 1557 # correct ring bond data
201: ok 1558 # correct ring bond data
201: ok 1559 # correct ring bond data
201: ok 1560 # correct ring bond data
201: ok 1561 # correct ring bond data
201: ok 1562 # correct ring bond data
201: ok 1563 # correct ring bond data
201: ok 1564 # correct ring bond data
201: ok 1565 # correct ring bond data
201: ok 1566 # correct ring bond data
201: ok 1567 # correct ring bond data
201: ok 1568 # SSSR size matches reference
201: ok 1569 # correct SSSR count
201: ok 1570 # ring membership passed
201: ok 1571 # correct SSSR count
201: ok 1572 # ring membership passed
201: ok 1573 # correct SSSR count
201: ok 1574 # ring membership passed
201: ok 1575 # correct SSSR count
201: ok 1576 # ring membership passed
201: ok 1577 # correct SSSR count
201: ok 1578 # ring membership passed
201: ok 1579 # correct SSSR count
201: ok 1580 # ring membership passed
201: ok 1581 # correct SSSR count
201: ok 1582 # ring membership passed
201: ok 1583 # correct SSSR count
201: ok 1584 # ring membership passed
201: ok 1585 # correct SSSR count
201: ok 1586 # ring membership passed
201: ok 1587 # correct SSSR count
201: ok 1588 # ring membership passed
201: ok 1589 # correct SSSR count
201: ok 1590 # ring membership passed
201: ok 1591 # correct SSSR count
201: ok 1592 # ring membership passed
201: ok 1593 # correct ring bond data
201: ok 1594 # correct ring bond data
201: ok 1595 # correct ring bond data
201: ok 1596 # correct ring bond data
201: ok 1597 # correct ring bond data
201: ok 1598 # correct ring bond data
201: ok 1599 # correct ring bond data
201: ok 1600 # correct ring bond data
201: ok 1601 # correct ring bond data
201: ok 1602 # correct ring bond data
201: ok 1603 # correct ring bond data
201: ok 1604 # correct ring bond data
201: ok 1605 # correct ring bond data
201: ok 1606 # correct ring bond data
201: ok 1607 # correct ring bond data
201: ok 1608 # correct ring bond data
201: ok 1609 # correct ring bond data
201: ok 1610 # correct ring bond data
201: ok 1611 # correct ring bond data
201: ok 1612 # SSSR size matches reference
201: ok 1613 # correct SSSR count
201: ok 1614 # ring membership passed
201: ok 1615 # correct SSSR count
201: ok 1616 # ring membership passed
201: ok 1617 # correct SSSR count
201: ok 1618 # ring membership passed
201: ok 1619 # correct SSSR count
201: ok 1620 # ring membership passed
201: ok 1621 # correct SSSR count
201: ok 1622 # ring membership passed
201: ok 1623 # correct SSSR count
201: ok 1624 # ring membership passed
201: ok 1625 # correct SSSR count
201: ok 1626 # ring membership passed
201: ok 1627 # correct SSSR count
201: ok 1628 # ring membership passed
201: ok 1629 # correct SSSR count
201: ok 1630 # ring membership passed
201: ok 1631 # correct SSSR count
201: ok 1632 # ring membership passed
201: ok 1633 # correct SSSR count
201: ok 1634 # ring membership passed
201: ok 1635 # correct SSSR count
201: ok 1636 # ring membership passed
201: ok 1637 # correct SSSR count
201: ok 1638 # ring membership passed
201: ok 1639 # correct SSSR count
201: ok 1640 # ring membership passed
201: ok 1641 # correct SSSR count
201: ok 1642 # ring membership passed
201: ok 1643 # correct SSSR count
201: ok 1644 # ring membership passed
201: ok 1645 # correct SSSR count
201: ok 1646 # ring membership passed
201: ok 1647 # correct SSSR count
201: ok 1648 # ring membership passed
201: ok 1649 # correct SSSR count
201: ok 1650 # ring membership passed
201: ok 1651 # correct ring bond data
201: ok 1652 # correct ring bond data
201: ok 1653 # correct ring bond data
201: ok 1654 # correct ring bond data
201: ok 1655 # correct ring bond data
201: ok 1656 # correct ring bond data
201: ok 1657 # correct ring bond data
201: ok 1658 # correct ring bond data
201: ok 1659 # correct ring bond data
201: ok 1660 # correct ring bond data
201: ok 1661 # correct ring bond data
201: ok 1662 # correct ring bond data
201: ok 1663 # correct ring bond data
201: ok 1664 # correct ring bond data
201: ok 1665 # correct ring bond data
201: ok 1666 # correct ring bond data
201: ok 1667 # correct ring bond data
201: ok 1668 # correct ring bond data
201: ok 1669 # correct ring bond data
201: ok 1670 # SSSR size matches reference
201: ok 1671 # correct SSSR count
201: ok 1672 # ring membership passed
201: ok 1673 # correct SSSR count
201: ok 1674 # ring membership passed
201: ok 1675 # correct SSSR count
201: ok 1676 # ring membership passed
201: ok 1677 # correct SSSR count
201: ok 1678 # ring membership passed
201: ok 1679 # correct SSSR count
201: ok 1680 # ring membership passed
201: ok 1681 # correct SSSR count
201: ok 1682 # ring membership passed
201: ok 1683 # correct SSSR count
201: ok 1684 # ring membership passed
201: ok 1685 # correct SSSR count
201: ok 1686 # ring membership passed
201: ok 1687 # correct SSSR count
201: ok 1688 # ring membership passed
201: ok 1689 # correct SSSR count
201: ok 1690 # ring membership passed
201: ok 1691 # correct SSSR count
201: ok 1692 # ring membership passed
201: ok 1693 # correct SSSR count
201: ok 1694 # ring membership passed
201: ok 1695 # correct SSSR count
201: ok 1696 # ring membership passed
201: ok 1697 # correct SSSR count
201: ok 1698 # ring membership passed
201: ok 1699 # correct SSSR count
201: ok 1700 # ring membership passed
201: ok 1701 # correct SSSR count
201: ok 1702 # ring membership passed
201: ok 1703 # correct SSSR count
201: ok 1704 # ring membership passed
201: ok 1705 # correct SSSR count
201: ok 1706 # ring membership passed
201: ok 1707 # correct SSSR count
201: ok 1708 # ring membership passed
201: ok 1709 # correct ring bond data
201: ok 1710 # correct ring bond data
201: ok 1711 # correct ring bond data
201: ok 1712 # correct ring bond data
201: ok 1713 # correct ring bond data
201: ok 1714 # correct ring bond data
201: ok 1715 # correct ring bond data
201: ok 1716 # correct ring bond data
201: ok 1717 # correct ring bond data
201: ok 1718 # correct ring bond data
201: ok 1719 # correct ring bond data
201: ok 1720 # correct ring bond data
201: ok 1721 # correct ring bond data
201: ok 1722 # correct ring bond data
201: ok 1723 # correct ring bond data
201: ok 1724 # correct ring bond data
201: ok 1725 # correct ring bond data
201: ok 1726 # correct ring bond data
201: ok 1727 # correct ring bond data
201: ok 1728 # correct ring bond data
201: ok 1729 # correct ring bond data
201: ok 1730 # correct ring bond data
201: ok 1731 # correct ring bond data
201: ok 1732 # SSSR size matches reference
201: ok 1733 # correct SSSR count
201: ok 1734 # ring membership passed
201: ok 1735 # correct SSSR count
201: ok 1736 # ring membership passed
201: ok 1737 # correct SSSR count
201: ok 1738 # ring membership passed
201: ok 1739 # correct SSSR count
201: ok 1740 # ring membership passed
201: ok 1741 # correct SSSR count
201: ok 1742 # ring membership passed
201: ok 1743 # correct SSSR count
201: ok 1744 # ring membership passed
201: ok 1745 # correct SSSR count
201: ok 1746 # ring membership passed
201: ok 1747 # correct SSSR count
201: ok 1748 # ring membership passed
201: ok 1749 # correct SSSR count
201: ok 1750 # ring membership passed
201: ok 1751 # correct SSSR count
201: ok 1752 # ring membership passed
201: ok 1753 # correct SSSR count
201: ok 1754 # ring membership passed
201: ok 1755 # correct SSSR count
201: ok 1756 # ring membership passed
201: ok 1757 # correct SSSR count
201: ok 1758 # ring membership passed
201: ok 1759 # correct SSSR count
201: ok 1760 # ring membership passed
201: ok 1761 # correct SSSR count
201: ok 1762 # ring membership passed
201: ok 1763 # correct SSSR count
201: ok 1764 # ring membership passed
201: ok 1765 # correct SSSR count
201: ok 1766 # ring membership passed
201: ok 1767 # correct SSSR count
201: ok 1768 # ring membership passed
201: ok 1769 # correct SSSR count
201: ok 1770 # ring membership passed
201: ok 1771 # correct SSSR count
201: ok 1772 # ring membership passed
201: ok 1773 # correct SSSR count
201: ok 1774 # ring membership passed
201: ok 1775 # correct ring bond data
201: ok 1776 # correct ring bond data
201: ok 1777 # correct ring bond data
201: ok 1778 # correct ring bond data
201: ok 1779 # correct ring bond data
201: ok 1780 # correct ring bond data
201: ok 1781 # correct ring bond data
201: ok 1782 # correct ring bond data
201: ok 1783 # correct ring bond data
201: ok 1784 # correct ring bond data
201: ok 1785 # correct ring bond data
201: ok 1786 # correct ring bond data
201: ok 1787 # correct ring bond data
201: ok 1788 # correct ring bond data
201: ok 1789 # correct ring bond data
201: ok 1790 # correct ring bond data
201: ok 1791 # SSSR size matches reference
201: ok 1792 # correct SSSR count
201: ok 1793 # ring membership passed
201: ok 1794 # correct SSSR count
201: ok 1795 # ring membership passed
201: ok 1796 # correct SSSR count
201: ok 1797 # ring membership passed
201: ok 1798 # correct SSSR count
201: ok 1799 # ring membership passed
201: ok 1800 # correct SSSR count
201: ok 1801 # ring membership passed
201: ok 1802 # correct SSSR count
201: ok 1803 # ring membership passed
201: ok 1804 # correct SSSR count
201: ok 1805 # ring membership passed
201: ok 1806 # correct SSSR count
201: ok 1807 # ring membership passed
201: ok 1808 # correct SSSR count
201: ok 1809 # ring membership passed
201: ok 1810 # correct SSSR count
201: ok 1811 # ring membership passed
201: ok 1812 # correct SSSR count
201: ok 1813 # ring membership passed
201: ok 1814 # correct SSSR count
201: ok 1815 # ring membership passed
201: ok 1816 # correct SSSR count
201: ok 1817 # ring membership passed
201: ok 1818 # correct SSSR count
201: ok 1819 # ring membership passed
201: ok 1820 # correct SSSR count
201: ok 1821 # ring membership passed
201: ok 1822 # correct SSSR count
201: ok 1823 # ring membership passed
201: ok 1824 # correct ring bond data
201: ok 1825 # correct ring bond data
201: ok 1826 # correct ring bond data
201: ok 1827 # correct ring bond data
201: ok 1828 # correct ring bond data
201: ok 1829 # correct ring bond data
201: ok 1830 # correct ring bond data
201: ok 1831 # correct ring bond data
201: ok 1832 # correct ring bond data
201: ok 1833 # correct ring bond data
201: ok 1834 # correct ring bond data
201: ok 1835 # correct ring bond data
201: ok 1836 # correct ring bond data
201: ok 1837 # correct ring bond data
201: ok 1838 # correct ring bond data
201: ok 1839 # correct ring bond data
201: ok 1840 # SSSR size matches reference
201: ok 1841 # correct SSSR count
201: ok 1842 # ring membership passed
201: ok 1843 # correct SSSR count
201: ok 1844 # ring membership passed
201: ok 1845 # correct SSSR count
201: ok 1846 # ring membership passed
201: ok 1847 # correct SSSR count
201: ok 1848 # ring membership passed
201: ok 1849 # correct SSSR count
201: ok 1850 # ring membership passed
201: ok 1851 # correct SSSR count
201: ok 1852 # ring membership passed
201: ok 1853 # correct SSSR count
201: ok 1854 # ring membership passed
201: ok 1855 # correct SSSR count
201: ok 1856 # ring membership passed
201: ok 1857 # correct SSSR count
201: ok 1858 # ring membership passed
201: ok 1859 # correct SSSR count
201: ok 1860 # ring membership passed
201: ok 1861 # correct SSSR count
201: ok 1862 # ring membership passed
201: ok 1863 # correct SSSR count
201: ok 1864 # ring membership passed
201: ok 1865 # correct SSSR count
201: ok 1866 # ring membership passed
201: ok 1867 # correct SSSR count
201: ok 1868 # ring membership passed
201: ok 1869 # correct SSSR count
201: ok 1870 # ring membership passed
201: ok 1871 # correct SSSR count
201: ok 1872 # ring membership passed
201: ok 1873 # correct ring bond data
201: ok 1874 # correct ring bond data
201: ok 1875 # correct ring bond data
201: ok 1876 # correct ring bond data
201: ok 1877 # correct ring bond data
201: ok 1878 # correct ring bond data
201: ok 1879 # correct ring bond data
201: ok 1880 # correct ring bond data
201: ok 1881 # correct ring bond data
201: ok 1882 # correct ring bond data
201: ok 1883 # correct ring bond data
201: ok 1884 # correct ring bond data
201: ok 1885 # correct ring bond data
201: ok 1886 # correct ring bond data
201: ok 1887 # correct ring bond data
201: ok 1888 # correct ring bond data
201: ok 1889 # SSSR size matches reference
201: ok 1890 # correct SSSR count
201: ok 1891 # ring membership passed
201: ok 1892 # correct SSSR count
201: ok 1893 # ring membership passed
201: ok 1894 # correct SSSR count
201: ok 1895 # ring membership passed
201: ok 1896 # correct SSSR count
201: ok 1897 # ring membership passed
201: ok 1898 # correct SSSR count
201: ok 1899 # ring membership passed
201: ok 1900 # correct SSSR count
201: ok 1901 # ring membership passed
201: ok 1902 # correct SSSR count
201: ok 1903 # ring membership passed
201: ok 1904 # correct SSSR count
201: ok 1905 # ring membership passed
201: ok 1906 # correct SSSR count
201: ok 1907 # ring membership passed
201: ok 1908 # correct SSSR count
201: ok 1909 # ring membership passed
201: ok 1910 # correct SSSR count
201: ok 1911 # ring membership passed
201: ok 1912 # correct SSSR count
201: ok 1913 # ring membership passed
201: ok 1914 # correct SSSR count
201: ok 1915 # ring membership passed
201: ok 1916 # correct SSSR count
201: ok 1917 # ring membership passed
201: ok 1918 # correct SSSR count
201: ok 1919 # ring membership passed
201: ok 1920 # correct SSSR count
201: ok 1921 # ring membership passed
201: ok 1922 # correct ring bond data
201: ok 1923 # correct ring bond data
201: ok 1924 # correct ring bond data
201: ok 1925 # correct ring bond data
201: ok 1926 # correct ring bond data
201: ok 1927 # correct ring bond data
201: ok 1928 # correct ring bond data
201: ok 1929 # correct ring bond data
201: ok 1930 # correct ring bond data
201: ok 1931 # correct ring bond data
201: ok 1932 # correct ring bond data
201: ok 1933 # correct ring bond data
201: ok 1934 # correct ring bond data
201: ok 1935 # correct ring bond data
201: ok 1936 # correct ring bond data
201: ok 1937 # correct ring bond data
201: ok 1938 # SSSR size matches reference
201: ok 1939 # correct SSSR count
201: ok 1940 # ring membership passed
201: ok 1941 # correct SSSR count
201: ok 1942 # ring membership passed
201: ok 1943 # correct SSSR count
201: ok 1944 # ring membership passed
201: ok 1945 # correct SSSR count
201: ok 1946 # ring membership passed
201: ok 1947 # correct SSSR count
201: ok 1948 # ring membership passed
201: ok 1949 # correct SSSR count
201: ok 1950 # ring membership passed
201: ok 1951 # correct SSSR count
201: ok 1952 # ring membership passed
201: ok 1953 # correct SSSR count
201: ok 1954 # ring membership passed
201: ok 1955 # correct SSSR count
201: ok 1956 # ring membership passed
201: ok 1957 # correct SSSR count
201: ok 1958 # ring membership passed
201: ok 1959 # correct SSSR count
201: ok 1960 # ring membership passed
201: ok 1961 # correct SSSR count
201: ok 1962 # ring membership passed
201: ok 1963 # correct SSSR count
201: ok 1964 # ring membership passed
201: ok 1965 # correct SSSR count
201: ok 1966 # ring membership passed
201: ok 1967 # correct SSSR count
201: ok 1968 # ring membership passed
201: ok 1969 # correct SSSR count
201: ok 1970 # ring membership passed
201: ok 1971 # correct ring bond data
201: ok 1972 # correct ring bond data
201: ok 1973 # correct ring bond data
201: ok 1974 # correct ring bond data
201: ok 1975 # correct ring bond data
201: ok 1976 # correct ring bond data
201: ok 1977 # correct ring bond data
201: ok 1978 # correct ring bond data
201: ok 1979 # correct ring bond data
201: ok 1980 # correct ring bond data
201: ok 1981 # correct ring bond data
201: ok 1982 # correct ring bond data
201: ok 1983 # correct ring bond data
201: ok 1984 # correct ring bond data
201: ok 1985 # correct ring bond data
201: ok 1986 # correct ring bond data
201: ok 1987 # correct ring bond data
201: ok 1988 # correct ring bond data
201: ok 1989 # correct ring bond data
201: ok 1990 # SSSR size matches reference
201: ok 1991 # correct SSSR count
201: ok 1992 # ring membership passed
201: ok 1993 # correct SSSR count
201: ok 1994 # ring membership passed
201: ok 1995 # correct SSSR count
201: ok 1996 # ring membership passed
201: ok 1997 # correct SSSR count
201: ok 1998 # ring membership passed
201: ok 1999 # correct SSSR count
201: ok 2000 # ring membership passed
201: ok 2001 # correct SSSR count
201: ok 2002 # ring membership passed
201: ok 2003 # correct SSSR count
201: ok 2004 # ring membership passed
201: ok 2005 # correct SSSR count
201: ok 2006 # ring membership passed
201: ok 2007 # correct SSSR count
201: ok 2008 # ring membership passed
201: ok 2009 # correct SSSR count
201: ok 2010 # ring membership passed
201: ok 2011 # correct SSSR count
201: ok 2012 # ring membership passed
201: ok 2013 # correct SSSR count
201: ok 2014 # ring membership passed
201: ok 2015 # correct SSSR count
201: ok 2016 # ring membership passed
201: ok 2017 # correct SSSR count
201: ok 2018 # ring membership passed
201: ok 2019 # correct SSSR count
201: ok 2020 # ring membership passed
201: ok 2021 # correct SSSR count
201: ok 2022 # ring membership passed
201: ok 2023 # correct SSSR count
201: ok 2024 # ring membership passed
201: ok 2025 # correct SSSR count
201: ok 2026 # ring membership passed
201: ok 2027 # correct ring bond data
201: ok 2028 # correct ring bond data
201: ok 2029 # correct ring bond data
201: ok 2030 # correct ring bond data
201: ok 2031 # correct ring bond data
201: ok 2032 # correct ring bond data
201: ok 2033 # correct ring bond data
201: ok 2034 # correct ring bond data
201: ok 2035 # correct ring bond data
201: ok 2036 # correct ring bond data
201: ok 2037 # correct ring bond data
201: ok 2038 # correct ring bond data
201: ok 2039 # correct ring bond data
201: ok 2040 # correct ring bond data
201: ok 2041 # correct ring bond data
201: ok 2042 # correct ring bond data
201: ok 2043 # correct ring bond data
201: ok 2044 # correct ring bond data
201: ok 2045 # correct ring bond data
201: ok 2046 # SSSR size matches reference
201: ok 2047 # correct SSSR count
201: ok 2048 # ring membership passed
201: ok 2049 # correct SSSR count
201: ok 2050 # ring membership passed
201: ok 2051 # correct SSSR count
201: ok 2052 # ring membership passed
201: ok 2053 # correct SSSR count
201: ok 2054 # ring membership passed
201: ok 2055 # correct SSSR count
201: ok 2056 # ring membership passed
201: ok 2057 # correct SSSR count
201: ok 2058 # ring membership passed
201: ok 2059 # correct SSSR count
201: ok 2060 # ring membership passed
201: ok 2061 # correct SSSR count
201: ok 2062 # ring membership passed
201: ok 2063 # correct SSSR count
201: ok 2064 # ring membership passed
201: ok 2065 # correct SSSR count
201: ok 2066 # ring membership passed
201: ok 2067 # correct SSSR count
201: ok 2068 # ring membership passed
201: ok 2069 # correct SSSR count
201: ok 2070 # ring membership passed
201: ok 2071 # correct SSSR count
201: ok 2072 # ring membership passed
201: ok 2073 # correct SSSR count
201: ok 2074 # ring membership passed
201: ok 2075 # correct SSSR count
201: ok 2076 # ring membership passed
201: ok 2077 # correct SSSR count
201: ok 2078 # ring membership passed
201: ok 2079 # correct SSSR count
201: ok 2080 # ring membership passed
201: ok 2081 # correct ring bond data
201: ok 2082 # correct ring bond data
201: ok 2083 # correct ring bond data
201: ok 2084 # correct ring bond data
201: ok 2085 # correct ring bond data
201: ok 2086 # correct ring bond data
201: ok 2087 # correct ring bond data
201: ok 2088 # correct ring bond data
201: ok 2089 # correct ring bond data
201: ok 2090 # correct ring bond data
201: ok 2091 # correct ring bond data
201: ok 2092 # correct ring bond data
201: ok 2093 # correct ring bond data
201: ok 2094 # correct ring bond data
201: ok 2095 # correct ring bond data
201: ok 2096 # correct ring bond data
201: ok 2097 # correct ring bond data
201: ok 2098 # correct ring bond data
201: ok 2099 # correct ring bond data
201: ok 2100 # correct ring bond data
201: ok 2101 # correct ring bond data
201: ok 2102 # correct ring bond data
201: ok 2103 # correct ring bond data
201: ok 2104 # correct ring bond data
201: ok 2105 # correct ring bond data
201: ok 2106 # correct ring bond data
201: ok 2107 # correct ring bond data
201: ok 2108 # SSSR size matches reference
201: ok 2109 # correct SSSR count
201: ok 2110 # ring membership passed
201: ok 2111 # correct SSSR count
201: ok 2112 # ring membership passed
201: ok 2113 # correct SSSR count
201: ok 2114 # ring membership passed
201: ok 2115 # correct SSSR count
201: ok 2116 # ring membership passed
201: ok 2117 # correct SSSR count
201: ok 2118 # ring membership passed
201: ok 2119 # correct SSSR count
201: ok 2120 # ring membership passed
201: ok 2121 # correct SSSR count
201: ok 2122 # ring membership passed
201: ok 2123 # correct SSSR count
201: ok 2124 # ring membership passed
201: ok 2125 # correct SSSR count
201: ok 2126 # ring membership passed
201: ok 2127 # correct SSSR count
201: ok 2128 # ring membership passed
201: ok 2129 # correct SSSR count
201: ok 2130 # ring membership passed
201: ok 2131 # correct SSSR count
201: ok 2132 # ring membership passed
201: ok 2133 # correct SSSR count
201: ok 2134 # ring membership passed
201: ok 2135 # correct SSSR count
201: ok 2136 # ring membership passed
201: ok 2137 # correct SSSR count
201: ok 2138 # ring membership passed
201: ok 2139 # correct SSSR count
201: ok 2140 # ring membership passed
201: ok 2141 # correct SSSR count
201: ok 2142 # ring membership passed
201: ok 2143 # correct SSSR count
201: ok 2144 # ring membership passed
201: ok 2145 # correct SSSR count
201: ok 2146 # ring membership passed
201: ok 2147 # correct SSSR count
201: ok 2148 # ring membership passed
201: ok 2149 # correct SSSR count
201: ok 2150 # ring membership passed
201: ok 2151 # correct SSSR count
201: ok 2152 # ring membership passed
201: ok 2153 # correct SSSR count
201: ok 2154 # ring membership passed
201: ok 2155 # correct SSSR count
201: ok 2156 # ring membership passed
201: ok 2157 # correct SSSR count
201: ok 2158 # ring membership passed
201: ok 2159 # correct SSSR count
201: ok 2160 # ring membership passed
201: ok 2161 # correct ring bond data
201: ok 2162 # correct ring bond data
201: ok 2163 # correct ring bond data
201: ok 2164 # correct ring bond data
201: ok 2165 # correct ring bond data
201: ok 2166 # correct ring bond data
201: ok 2167 # correct ring bond data
201: ok 2168 # correct ring bond data
201: ok 2169 # correct ring bond data
201: ok 2170 # correct ring bond data
201: ok 2171 # correct ring bond data
201: ok 2172 # correct ring bond data
201: ok 2173 # correct ring bond data
201: ok 2174 # correct ring bond data
201: ok 2175 # correct ring bond data
201: ok 2176 # correct ring bond data
201: ok 2177 # correct ring bond data
201: ok 2178 # correct ring bond data
201: ok 2179 # correct ring bond data
201: ok 2180 # correct ring bond data
201: ok 2181 # SSSR size matches reference
201: ok 2182 # correct SSSR count
201: ok 2183 # ring membership passed
201: ok 2184 # correct SSSR count
201: ok 2185 # ring membership passed
201: ok 2186 # correct SSSR count
201: ok 2187 # ring membership passed
201: ok 2188 # correct SSSR count
201: ok 2189 # ring membership passed
201: ok 2190 # correct SSSR count
201: ok 2191 # ring membership passed
201: ok 2192 # correct SSSR count
201: ok 2193 # ring membership passed
201: ok 2194 # correct SSSR count
201: ok 2195 # ring membership passed
201: ok 2196 # correct SSSR count
201: ok 2197 # ring membership passed
201: ok 2198 # correct SSSR count
201: ok 2199 # ring membership passed
201: ok 2200 # correct SSSR count
201: ok 2201 # ring membership passed
201: ok 2202 # correct SSSR count
201: ok 2203 # ring membership passed
201: ok 2204 # correct SSSR count
201: ok 2205 # ring membership passed
201: ok 2206 # correct SSSR count
201: ok 2207 # ring membership passed
201: ok 2208 # correct SSSR count
201: ok 2209 # ring membership passed
201: ok 2210 # correct SSSR count
201: ok 2211 # ring membership passed
201: ok 2212 # correct SSSR count
201: ok 2213 # ring membership passed
201: ok 2214 # correct SSSR count
201: ok 2215 # ring membership passed
201: ok 2216 # correct SSSR count
201: ok 2217 # ring membership passed
201: ok 2218 # correct SSSR count
201: ok 2219 # ring membership passed
201: ok 2220 # correct ring bond data
201: ok 2221 # correct ring bond data
201: ok 2222 # correct ring bond data
201: ok 2223 # correct ring bond data
201: ok 2224 # correct ring bond data
201: ok 2225 # correct ring bond data
201: ok 2226 # correct ring bond data
201: ok 2227 # correct ring bond data
201: ok 2228 # correct ring bond data
201: ok 2229 # correct ring bond data
201: ok 2230 # correct ring bond data
201: ok 2231 # correct ring bond data
201: ok 2232 # correct ring bond data
201: ok 2233 # correct ring bond data
201: ok 2234 # correct ring bond data
201: ok 2235 # correct ring bond data
201: ok 2236 # correct ring bond data
201: ok 2237 # correct ring bond data
201: ok 2238 # correct ring bond data
201: ok 2239 # correct ring bond data
201: ok 2240 # SSSR size matches reference
201: ok 2241 # correct SSSR count
201: ok 2242 # ring membership passed
201: ok 2243 # correct SSSR count
201: ok 2244 # ring membership passed
201: ok 2245 # correct SSSR count
201: ok 2246 # ring membership passed
201: ok 2247 # correct SSSR count
201: ok 2248 # ring membership passed
201: ok 2249 # correct SSSR count
201: ok 2250 # ring membership passed
201: ok 2251 # correct SSSR count
201: ok 2252 # ring membership passed
201: ok 2253 # correct SSSR count
201: ok 2254 # ring membership passed
201: ok 2255 # correct SSSR count
201: ok 2256 # ring membership passed
201: ok 2257 # correct SSSR count
201: ok 2258 # ring membership passed
201: ok 2259 # correct SSSR count
201: ok 2260 # ring membership passed
201: ok 2261 # correct SSSR count
201: ok 2262 # ring membership passed
201: ok 2263 # correct SSSR count
201: ok 2264 # ring membership passed
201: ok 2265 # correct SSSR count
201: ok 2266 # ring membership passed
201: ok 2267 # correct SSSR count
201: ok 2268 # ring membership passed
201: ok 2269 # correct SSSR count
201: ok 2270 # ring membership passed
201: ok 2271 # correct SSSR count
201: ok 2272 # ring membership passed
201: ok 2273 # correct SSSR count
201: ok 2274 # ring membership passed
201: ok 2275 # correct SSSR count
201: ok 2276 # ring membership passed
201: ok 2277 # correct SSSR count
201: ok 2278 # ring membership passed
201: ok 2279 # correct ring bond data
201: ok 2280 # correct ring bond data
201: ok 2281 # correct ring bond data
201: ok 2282 # correct ring bond data
201: ok 2283 # correct ring bond data
201: ok 2284 # correct ring bond data
201: ok 2285 # correct ring bond data
201: ok 2286 # correct ring bond data
201: ok 2287 # correct ring bond data
201: ok 2288 # correct ring bond data
201: ok 2289 # correct ring bond data
201: ok 2290 # correct ring bond data
201: ok 2291 # correct ring bond data
201: ok 2292 # correct ring bond data
201: ok 2293 # correct ring bond data
201: ok 2294 # correct ring bond data
201: ok 2295 # correct ring bond data
201: ok 2296 # correct ring bond data
201: ok 2297 # correct ring bond data
201: ok 2298 # SSSR size matches reference
201: ok 2299 # correct SSSR count
201: ok 2300 # ring membership passed
201: ok 2301 # correct SSSR count
201: ok 2302 # ring membership passed
201: ok 2303 # correct SSSR count
201: ok 2304 # ring membership passed
201: ok 2305 # correct SSSR count
201: ok 2306 # ring membership passed
201: ok 2307 # correct SSSR count
201: ok 2308 # ring membership passed
201: ok 2309 # correct SSSR count
201: ok 2310 # ring membership passed
201: ok 2311 # correct SSSR count
201: ok 2312 # ring membership passed
201: ok 2313 # correct SSSR count
201: ok 2314 # ring membership passed
201: ok 2315 # correct SSSR count
201: ok 2316 # ring membership passed
201: ok 2317 # correct SSSR count
201: ok 2318 # ring membership passed
201: ok 2319 # correct SSSR count
201: ok 2320 # ring membership passed
201: ok 2321 # correct SSSR count
201: ok 2322 # ring membership passed
201: ok 2323 # correct SSSR count
201: ok 2324 # ring membership passed
201: ok 2325 # correct SSSR count
201: ok 2326 # ring membership passed
201: ok 2327 # correct SSSR count
201: ok 2328 # ring membership passed
201: ok 2329 # correct SSSR count
201: ok 2330 # ring membership passed
201: ok 2331 # correct SSSR count
201: ok 2332 # ring membership passed
201: ok 2333 # correct SSSR count
201: ok 2334 # ring membership passed
201: ok 2335 # correct ring bond data
201: ok 2336 # correct ring bond data
201: ok 2337 # correct ring bond data
201: ok 2338 # correct ring bond data
201: ok 2339 # correct ring bond data
201: ok 2340 # correct ring bond data
201: ok 2341 # correct ring bond data
201: ok 2342 # correct ring bond data
201: ok 2343 # correct ring bond data
201: ok 2344 # correct ring bond data
201: ok 2345 # correct ring bond data
201: ok 2346 # correct ring bond data
201: ok 2347 # correct ring bond data
201: ok 2348 # correct ring bond data
201: ok 2349 # correct ring bond data
201: ok 2350 # correct ring bond data
201: ok 2351 # SSSR size matches reference
201: ok 2352 # correct SSSR count
201: ok 2353 # ring membership passed
201: ok 2354 # correct SSSR count
201: ok 2355 # ring membership passed
201: ok 2356 # correct SSSR count
201: ok 2357 # ring membership passed
201: ok 2358 # correct SSSR count
201: ok 2359 # ring membership passed
201: ok 2360 # correct SSSR count
201: ok 2361 # ring membership passed
201: ok 2362 # correct SSSR count
201: ok 2363 # ring membership passed
201: ok 2364 # correct SSSR count
201: ok 2365 # ring membership passed
201: ok 2366 # correct SSSR count
201: ok 2367 # ring membership passed
201: ok 2368 # correct SSSR count
201: ok 2369 # ring membership passed
201: ok 2370 # correct SSSR count
201: ok 2371 # ring membership passed
201: ok 2372 # correct SSSR count
201: ok 2373 # ring membership passed
201: ok 2374 # correct SSSR count
201: ok 2375 # ring membership passed
201: ok 2376 # correct SSSR count
201: ok 2377 # ring membership passed
201: ok 2378 # correct SSSR count
201: ok 2379 # ring membership passed
201: ok 2380 # correct SSSR count
201: ok 2381 # ring membership passed
201: ok 2382 # correct ring bond data
201: ok 2383 # correct ring bond data
201: ok 2384 # correct ring bond data
201: ok 2385 # correct ring bond data
201: ok 2386 # correct ring bond data
201: ok 2387 # correct ring bond data
201: ok 2388 # correct ring bond data
201: ok 2389 # correct ring bond data
201: ok 2390 # correct ring bond data
201: ok 2391 # correct ring bond data
201: ok 2392 # correct ring bond data
201: ok 2393 # correct ring bond data
201: ok 2394 # correct ring bond data
201: ok 2395 # correct ring bond data
201: ok 2396 # correct ring bond data
201: ok 2397 # correct ring bond data
201: ok 2398 # SSSR size matches reference
201: ok 2399 # correct SSSR count
201: ok 2400 # ring membership passed
201: ok 2401 # correct SSSR count
201: ok 2402 # ring membership passed
201: ok 2403 # correct SSSR count
201: ok 2404 # ring membership passed
201: ok 2405 # correct SSSR count
201: ok 2406 # ring membership passed
201: ok 2407 # correct SSSR count
201: ok 2408 # ring membership passed
201: ok 2409 # correct SSSR count
201: ok 2410 # ring membership passed
201: ok 2411 # correct SSSR count
201: ok 2412 # ring membership passed
201: ok 2413 # correct SSSR count
201: ok 2414 # ring membership passed
201: ok 2415 # correct SSSR count
201: ok 2416 # ring membership passed
201: ok 2417 # correct SSSR count
201: ok 2418 # ring membership passed
201: ok 2419 # correct SSSR count
201: ok 2420 # ring membership passed
201: ok 2421 # correct SSSR count
201: ok 2422 # ring membership passed
201: ok 2423 # correct SSSR count
201: ok 2424 # ring membership passed
201: ok 2425 # correct SSSR count
201: ok 2426 # ring membership passed
201: ok 2427 # correct SSSR count
201: ok 2428 # ring membership passed
201: ok 2429 # correct ring bond data
201: ok 2430 # correct ring bond data
201: ok 2431 # correct ring bond data
201: ok 2432 # correct ring bond data
201: ok 2433 # correct ring bond data
201: ok 2434 # correct ring bond data
201: ok 2435 # correct ring bond data
201: ok 2436 # correct ring bond data
201: ok 2437 # correct ring bond data
201: ok 2438 # correct ring bond data
201: ok 2439 # correct ring bond data
201: ok 2440 # correct ring bond data
201: ok 2441 # correct ring bond data
201: ok 2442 # correct ring bond data
201: ok 2443 # correct ring bond data
201: ok 2444 # correct ring bond data
201: ok 2445 # correct ring bond data
201: ok 2446 # correct ring bond data
201: ok 2447 # correct ring bond data
201: ok 2448 # SSSR size matches reference
201: ok 2449 # correct SSSR count
201: ok 2450 # ring membership passed
201: ok 2451 # correct SSSR count
201: ok 2452 # ring membership passed
201: ok 2453 # correct SSSR count
201: ok 2454 # ring membership passed
201: ok 2455 # correct SSSR count
201: ok 2456 # ring membership passed
201: ok 2457 # correct SSSR count
201: ok 2458 # ring membership passed
201: ok 2459 # correct SSSR count
201: ok 2460 # ring membership passed
201: ok 2461 # correct SSSR count
201: ok 2462 # ring membership passed
201: ok 2463 # correct SSSR count
201: ok 2464 # ring membership passed
201: ok 2465 # correct SSSR count
201: ok 2466 # ring membership passed
201: ok 2467 # correct SSSR count
201: ok 2468 # ring membership passed
201: ok 2469 # correct SSSR count
201: ok 2470 # ring membership passed
201: ok 2471 # correct SSSR count
201: ok 2472 # ring membership passed
201: ok 2473 # correct SSSR count
201: ok 2474 # ring membership passed
201: ok 2475 # correct SSSR count
201: ok 2476 # ring membership passed
201: ok 2477 # correct SSSR count
201: ok 2478 # ring membership passed
201: ok 2479 # correct SSSR count
201: ok 2480 # ring membership passed
201: ok 2481 # correct SSSR count
201: ok 2482 # ring membership passed
201: ok 2483 # correct SSSR count
201: ok 2484 # ring membership passed
201: ok 2485 # correct ring bond data
201: ok 2486 # correct ring bond data
201: ok 2487 # correct ring bond data
201: ok 2488 # correct ring bond data
201: ok 2489 # correct ring bond data
201: ok 2490 # correct ring bond data
201: ok 2491 # correct ring bond data
201: ok 2492 # correct ring bond data
201: ok 2493 # correct ring bond data
201: ok 2494 # correct ring bond data
201: ok 2495 # correct ring bond data
201: ok 2496 # correct ring bond data
201: ok 2497 # correct ring bond data
201: ok 2498 # correct ring bond data
201: ok 2499 # correct ring bond data
201: ok 2500 # correct ring bond data
201: ok 2501 # correct ring bond data
201: ok 2502 # correct ring bond data
201: ok 2503 # correct ring bond data
201: ok 2504 # correct ring bond data
201: ok 2505 # SSSR size matches reference
201: ok 2506 # correct SSSR count
201: ok 2507 # ring membership passed
201: ok 2508 # correct SSSR count
201: ok 2509 # ring membership passed
201: ok 2510 # correct SSSR count
201: ok 2511 # ring membership passed
201: ok 2512 # correct SSSR count
201: ok 2513 # ring membership passed
201: ok 2514 # correct SSSR count
201: ok 2515 # ring membership passed
201: ok 2516 # correct SSSR count
201: ok 2517 # ring membership passed
201: ok 2518 # correct SSSR count
201: ok 2519 # ring membership passed
201: ok 2520 # correct SSSR count
201: ok 2521 # ring membership passed
201: ok 2522 # correct SSSR count
201: ok 2523 # ring membership passed
201: ok 2524 # correct SSSR count
201: ok 2525 # ring membership passed
201: ok 2526 # correct SSSR count
201: ok 2527 # ring membership passed
201: ok 2528 # correct SSSR count
201: ok 2529 # ring membership passed
201: ok 2530 # correct SSSR count
201: ok 2531 # ring membership passed
201: ok 2532 # correct SSSR count
201: ok 2533 # ring membership passed
201: ok 2534 # correct SSSR count
201: ok 2535 # ring membership passed
201: ok 2536 # correct SSSR count
201: ok 2537 # ring membership passed
201: ok 2538 # correct SSSR count
201: ok 2539 # ring membership passed
201: ok 2540 # correct SSSR count
201: ok 2541 # ring membership passed
201: ok 2542 # correct SSSR count
201: ok 2543 # ring membership passed
201: ok 2544 # correct SSSR count
201: ok 2545 # ring membership passed
201: ok 2546 # correct ring bond data
201: ok 2547 # correct ring bond data
201: ok 2548 # correct ring bond data
201: ok 2549 # correct ring bond data
201: ok 2550 # correct ring bond data
201: ok 2551 # correct ring bond data
201: ok 2552 # correct ring bond data
201: ok 2553 # correct ring bond data
201: ok 2554 # correct ring bond data
201: ok 2555 # correct ring bond data
201: ok 2556 # correct ring bond data
201: ok 2557 # correct ring bond data
201: ok 2558 # correct ring bond data
201: ok 2559 # correct ring bond data
201: ok 2560 # correct ring bond data
201: ok 2561 # SSSR size matches reference
201: ok 2562 # correct SSSR count
201: ok 2563 # ring membership passed
201: ok 2564 # correct SSSR count
201: ok 2565 # ring membership passed
201: ok 2566 # correct SSSR count
201: ok 2567 # ring membership passed
201: ok 2568 # correct SSSR count
201: ok 2569 # ring membership passed
201: ok 2570 # correct SSSR count
201: ok 2571 # ring membership passed
201: ok 2572 # correct SSSR count
201: ok 2573 # ring membership passed
201: ok 2574 # correct SSSR count
201: ok 2575 # ring membership passed
201: ok 2576 # correct SSSR count
201: ok 2577 # ring membership passed
201: ok 2578 # correct SSSR count
201: ok 2579 # ring membership passed
201: ok 2580 # correct SSSR count
201: ok 2581 # ring membership passed
201: ok 2582 # correct SSSR count
201: ok 2583 # ring membership passed
201: ok 2584 # correct SSSR count
201: ok 2585 # ring membership passed
201: ok 2586 # correct SSSR count
201: ok 2587 # ring membership passed
201: ok 2588 # correct SSSR count
201: ok 2589 # ring membership passed
201: ok 2590 # correct ring bond data
201: ok 2591 # correct ring bond data
201: ok 2592 # correct ring bond data
201: ok 2593 # correct ring bond data
201: ok 2594 # correct ring bond data
201: ok 2595 # correct ring bond data
201: ok 2596 # correct ring bond data
201: ok 2597 # correct ring bond data
201: ok 2598 # correct ring bond data
201: ok 2599 # correct ring bond data
201: ok 2600 # correct ring bond data
201: ok 2601 # correct ring bond data
201: ok 2602 # correct ring bond data
201: ok 2603 # correct ring bond data
201: ok 2604 # correct ring bond data
201: ok 2605 # correct ring bond data
201: ok 2606 # correct ring bond data
201: ok 2607 # correct ring bond data
201: ok 2608 # correct ring bond data
201: ok 2609 # correct ring bond data
201: ok 2610 # correct ring bond data
201: ok 2611 # correct ring bond data
201: ok 2612 # SSSR size matches reference
201: ok 2613 # correct SSSR count
201: ok 2614 # ring membership passed
201: ok 2615 # correct SSSR count
201: ok 2616 # ring membership passed
201: ok 2617 # correct SSSR count
201: ok 2618 # ring membership passed
201: ok 2619 # correct SSSR count
201: ok 2620 # ring membership passed
201: ok 2621 # correct SSSR count
201: ok 2622 # ring membership passed
201: ok 2623 # correct SSSR count
201: ok 2624 # ring membership passed
201: ok 2625 # correct SSSR count
201: ok 2626 # ring membership passed
201: ok 2627 # correct SSSR count
201: ok 2628 # ring membership passed
201: ok 2629 # correct SSSR count
201: ok 2630 # ring membership passed
201: ok 2631 # correct SSSR count
201: ok 2632 # ring membership passed
201: ok 2633 # correct SSSR count
201: ok 2634 # ring membership passed
201: ok 2635 # correct SSSR count
201: ok 2636 # ring membership passed
201: ok 2637 # correct SSSR count
201: ok 2638 # ring membership passed
201: ok 2639 # correct SSSR count
201: ok 2640 # ring membership passed
201: ok 2641 # correct SSSR count
201: ok 2642 # ring membership passed
201: ok 2643 # correct SSSR count
201: ok 2644 # ring membership passed
201: ok 2645 # correct SSSR count
201: ok 2646 # ring membership passed
201: ok 2647 # correct SSSR count
201: ok 2648 # ring membership passed
201: ok 2649 # correct SSSR count
201: ok 2650 # ring membership passed
201: ok 2651 # correct SSSR count
201: ok 2652 # ring membership passed
201: ok 2653 # correct ring bond data
201: ok 2654 # correct ring bond data
201: ok 2655 # correct ring bond data
201: ok 2656 # correct ring bond data
201: ok 2657 # correct ring bond data
201: ok 2658 # correct ring bond data
201: ok 2659 # correct ring bond data
201: ok 2660 # correct ring bond data
201: ok 2661 # correct ring bond data
201: ok 2662 # correct ring bond data
201: ok 2663 # correct ring bond data
201: ok 2664 # correct ring bond data
201: ok 2665 # correct ring bond data
201: ok 2666 # correct ring bond data
201: ok 2667 # correct ring bond data
201: ok 2668 # correct ring bond data
201: ok 2669 # correct ring bond data
201: ok 2670 # correct ring bond data
201: ok 2671 # correct ring bond data
201: ok 2672 # correct ring bond data
201: ok 2673 # correct ring bond data
201: ok 2674 # correct ring bond data
201: ok 2675 # SSSR size matches reference
201: ok 2676 # correct SSSR count
201: ok 2677 # ring membership passed
201: ok 2678 # correct SSSR count
201: ok 2679 # ring membership passed
201: ok 2680 # correct SSSR count
201: ok 2681 # ring membership passed
201: ok 2682 # correct SSSR count
201: ok 2683 # ring membership passed
201: ok 2684 # correct SSSR count
201: ok 2685 # ring membership passed
201: ok 2686 # correct SSSR count
201: ok 2687 # ring membership passed
201: ok 2688 # correct SSSR count
201: ok 2689 # ring membership passed
201: ok 2690 # correct SSSR count
201: ok 2691 # ring membership passed
201: ok 2692 # correct SSSR count
201: ok 2693 # ring membership passed
201: ok 2694 # correct SSSR count
201: ok 2695 # ring membership passed
201: ok 2696 # correct SSSR count
201: ok 2697 # ring membership passed
201: ok 2698 # correct SSSR count
201: ok 2699 # ring membership passed
201: ok 2700 # correct SSSR count
201: ok 2701 # ring membership passed
201: ok 2702 # correct SSSR count
201: ok 2703 # ring membership passed
201: ok 2704 # correct SSSR count
201: ok 2705 # ring membership passed
201: ok 2706 # correct SSSR count
201: ok 2707 # ring membership passed
201: ok 2708 # correct SSSR count
201: ok 2709 # ring membership passed
201: ok 2710 # correct SSSR count
201: ok 2711 # ring membership passed
201: ok 2712 # correct SSSR count
201: ok 2713 # ring membership passed
201: ok 2714 # correct SSSR count
201: ok 2715 # ring membership passed
201: ok 2716 # correct ring bond data
201: ok 2717 # correct ring bond data
201: ok 2718 # correct ring bond data
201: ok 2719 # correct ring bond data
201: ok 2720 # correct ring bond data
201: ok 2721 # correct ring bond data
201: ok 2722 # correct ring bond data
201: ok 2723 # correct ring bond data
201: ok 2724 # correct ring bond data
201: ok 2725 # correct ring bond data
201: ok 2726 # correct ring bond data
201: ok 2727 # correct ring bond data
201: ok 2728 # correct ring bond data
201: ok 2729 # correct ring bond data
201: ok 2730 # correct ring bond data
201: ok 2731 # correct ring bond data
201: ok 2732 # SSSR size matches reference
201: ok 2733 # correct SSSR count
201: ok 2734 # ring membership passed
201: ok 2735 # correct SSSR count
201: ok 2736 # ring membership passed
201: ok 2737 # correct SSSR count
201: ok 2738 # ring membership passed
201: ok 2739 # correct SSSR count
201: ok 2740 # ring membership passed
201: ok 2741 # correct SSSR count
201: ok 2742 # ring membership passed
201: ok 2743 # correct SSSR count
201: ok 2744 # ring membership passed
201: ok 2745 # correct SSSR count
201: ok 2746 # ring membership passed
201: ok 2747 # correct SSSR count
201: ok 2748 # ring membership passed
201: ok 2749 # correct SSSR count
201: ok 2750 # ring membership passed
201: ok 2751 # correct SSSR count
201: ok 2752 # ring membership passed
201: ok 2753 # correct SSSR count
201: ok 2754 # ring membership passed
201: ok 2755 # correct SSSR count
201: ok 2756 # ring membership passed
201: ok 2757 # correct SSSR count
201: ok 2758 # ring membership passed
201: ok 2759 # correct SSSR count
201: ok 2760 # ring membership passed
201: ok 2761 # correct SSSR count
201: ok 2762 # ring membership passed
201: ok 2763 # correct ring bond data
201: ok 2764 # correct ring bond data
201: ok 2765 # correct ring bond data
201: ok 2766 # correct ring bond data
201: ok 2767 # correct ring bond data
201: ok 2768 # correct ring bond data
201: ok 2769 # correct ring bond data
201: ok 2770 # correct ring bond data
201: ok 2771 # correct ring bond data
201: ok 2772 # correct ring bond data
201: ok 2773 # correct ring bond data
201: ok 2774 # correct ring bond data
201: ok 2775 # correct ring bond data
201: ok 2776 # correct ring bond data
201: ok 2777 # correct ring bond data
201: ok 2778 # correct ring bond data
201: ok 2779 # correct ring bond data
201: ok 2780 # correct ring bond data
201: ok 2781 # correct ring bond data
201: ok 2782 # correct ring bond data
201: ok 2783 # SSSR size matches reference
201: ok 2784 # correct SSSR count
201: ok 2785 # ring membership passed
201: ok 2786 # correct SSSR count
201: ok 2787 # ring membership passed
201: ok 2788 # correct SSSR count
201: ok 2789 # ring membership passed
201: ok 2790 # correct SSSR count
201: ok 2791 # ring membership passed
201: ok 2792 # correct SSSR count
201: ok 2793 # ring membership passed
201: ok 2794 # correct SSSR count
201: ok 2795 # ring membership passed
201: ok 2796 # correct SSSR count
201: ok 2797 # ring membership passed
201: ok 2798 # correct SSSR count
201: ok 2799 # ring membership passed
201: ok 2800 # correct SSSR count
201: ok 2801 # ring membership passed
201: ok 2802 # correct SSSR count
201: ok 2803 # ring membership passed
201: ok 2804 # correct SSSR count
201: ok 2805 # ring membership passed
201: ok 2806 # correct SSSR count
201: ok 2807 # ring membership passed
201: ok 2808 # correct SSSR count
201: ok 2809 # ring membership passed
201: ok 2810 # correct SSSR count
201: ok 2811 # ring membership passed
201: ok 2812 # correct SSSR count
201: ok 2813 # ring membership passed
201: ok 2814 # correct SSSR count
201: ok 2815 # ring membership passed
201: ok 2816 # correct SSSR count
201: ok 2817 # ring membership passed
201: ok 2818 # correct SSSR count
201: ok 2819 # ring membership passed
201: ok 2820 # correct SSSR count
201: ok 2821 # ring membership passed
201: ok 2822 # correct SSSR count
201: ok 2823 # ring membership passed
201: ok 2824 # correct ring bond data
201: ok 2825 # correct ring bond data
201: ok 2826 # correct ring bond data
201: ok 2827 # correct ring bond data
201: ok 2828 # correct ring bond data
201: ok 2829 # correct ring bond data
201: ok 2830 # correct ring bond data
201: ok 2831 # correct ring bond data
201: ok 2832 # correct ring bond data
201: ok 2833 # correct ring bond data
201: ok 2834 # correct ring bond data
201: ok 2835 # correct ring bond data
201: ok 2836 # correct ring bond data
201: ok 2837 # correct ring bond data
201: ok 2838 # correct ring bond data
201: ok 2839 # correct ring bond data
201: ok 2840 # correct ring bond data
201: ok 2841 # correct ring bond data
201: ok 2842 # correct ring bond data
201: ok 2843 # correct ring bond data
201: ok 2844 # correct ring bond data
201: ok 2845 # correct ring bond data
201: ok 2846 # correct ring bond data
201: ok 2847 # correct ring bond data
201: ok 2848 # SSSR size matches reference
201: ok 2849 # correct SSSR count
201: ok 2850 # ring membership passed
201: ok 2851 # correct SSSR count
201: ok 2852 # ring membership passed
201: ok 2853 # correct SSSR count
201: ok 2854 # ring membership passed
201: ok 2855 # correct SSSR count
201: ok 2856 # ring membership passed
201: ok 2857 # correct SSSR count
201: ok 2858 # ring membership passed
201: ok 2859 # correct SSSR count
201: ok 2860 # ring membership passed
201: ok 2861 # correct SSSR count
201: ok 2862 # ring membership passed
201: ok 2863 # correct SSSR count
201: ok 2864 # ring membership passed
201: ok 2865 # correct SSSR count
201: ok 2866 # ring membership passed
201: ok 2867 # correct SSSR count
201: ok 2868 # ring membership passed
201: ok 2869 # correct SSSR count
201: ok 2870 # ring membership passed
201: ok 2871 # correct SSSR count
201: ok 2872 # ring membership passed
201: ok 2873 # correct SSSR count
201: ok 2874 # ring membership passed
201: ok 2875 # correct SSSR count
201: ok 2876 # ring membership passed
201: ok 2877 # correct SSSR count
201: ok 2878 # ring membership passed
201: ok 2879 # correct SSSR count
201: ok 2880 # ring membership passed
201: ok 2881 # correct SSSR count
201: ok 2882 # ring membership passed
201: ok 2883 # correct SSSR count
201: ok 2884 # ring membership passed
201: ok 2885 # correct SSSR count
201: ok 2886 # ring membership passed
201: ok 2887 # correct SSSR count
201: ok 2888 # ring membership passed
201: ok 2889 # correct SSSR count
201: ok 2890 # ring membership passed
201: ok 2891 # correct ring bond data
201: ok 2892 # correct ring bond data
201: ok 2893 # correct ring bond data
201: ok 2894 # correct ring bond data
201: ok 2895 # correct ring bond data
201: ok 2896 # correct ring bond data
201: ok 2897 # correct ring bond data
201: ok 2898 # correct ring bond data
201: ok 2899 # correct ring bond data
201: ok 2900 # correct ring bond data
201: ok 2901 # correct ring bond data
201: ok 2902 # correct ring bond data
201: ok 2903 # correct ring bond data
201: ok 2904 # correct ring bond data
201: ok 2905 # correct ring bond data
201: ok 2906 # correct ring bond data
201: ok 2907 # correct ring bond data
201: ok 2908 # correct ring bond data
201: ok 2909 # correct ring bond data
201: ok 2910 # correct ring bond data
201: ok 2911 # correct ring bond data
201: ok 2912 # correct ring bond data
201: ok 2913 # correct ring bond data
201: ok 2914 # correct ring bond data
201: ok 2915 # correct ring bond data
201: ok 2916 # correct ring bond data
201: ok 2917 # correct ring bond data
201: ok 2918 # correct ring bond data
201: ok 2919 # correct ring bond data
201: ok 2920 # correct ring bond data
201: ok 2921 # correct ring bond data
201: ok 2922 # SSSR size matches reference
201: ok 2923 # correct SSSR count
201: ok 2924 # ring membership passed
201: ok 2925 # correct SSSR count
201: ok 2926 # ring membership passed
201: ok 2927 # correct SSSR count
201: ok 2928 # ring membership passed
201: ok 2929 # correct SSSR count
201: ok 2930 # ring membership passed
201: ok 2931 # correct SSSR count
201: ok 2932 # ring membership passed
201: ok 2933 # correct SSSR count
201: ok 2934 # ring membership passed
201: ok 2935 # correct SSSR count
201: ok 2936 # ring membership passed
201: ok 2937 # correct SSSR count
201: ok 2938 # ring membership passed
201: ok 2939 # correct SSSR count
201: ok 2940 # ring membership passed
201: ok 2941 # correct SSSR count
201: ok 2942 # ring membership passed
201: ok 2943 # correct SSSR count
201: ok 2944 # ring membership passed
201: ok 2945 # correct SSSR count
201: ok 2946 # ring membership passed
201: ok 2947 # correct SSSR count
201: ok 2948 # ring membership passed
201: ok 2949 # correct SSSR count
201: ok 2950 # ring membership passed
201: ok 2951 # correct SSSR count
201: ok 2952 # ring membership passed
201: ok 2953 # correct SSSR count
201: ok 2954 # ring membership passed
201: ok 2955 # correct SSSR count
201: ok 2956 # ring membership passed
201: ok 2957 # correct SSSR count
201: ok 2958 # ring membership passed
201: ok 2959 # correct SSSR count
201: ok 2960 # ring membership passed
201: ok 2961 # correct SSSR count
201: ok 2962 # ring membership passed
201: ok 2963 # correct SSSR count
201: ok 2964 # ring membership passed
201: ok 2965 # correct SSSR count
201: ok 2966 # ring membership passed
201: ok 2967 # correct SSSR count
201: ok 2968 # ring membership passed
201: ok 2969 # correct SSSR count
201: ok 2970 # ring membership passed
201: ok 2971 # correct SSSR count
201: ok 2972 # ring membership passed
201: ok 2973 # correct SSSR count
201: ok 2974 # ring membership passed
201: ok 2975 # correct SSSR count
201: ok 2976 # ring membership passed
201: ok 2977 # correct ring bond data
201: ok 2978 # correct ring bond data
201: ok 2979 # correct ring bond data
201: ok 2980 # correct ring bond data
201: ok 2981 # correct ring bond data
201: ok 2982 # correct ring bond data
201: ok 2983 # correct ring bond data
201: ok 2984 # correct ring bond data
201: ok 2985 # correct ring bond data
201: ok 2986 # correct ring bond data
201: ok 2987 # correct ring bond data
201: ok 2988 # correct ring bond data
201: ok 2989 # correct ring bond data
201: ok 2990 # correct ring bond data
201: ok 2991 # correct ring bond data
201: ok 2992 # SSSR size matches reference
201: ok 2993 # correct SSSR count
201: ok 2994 # ring membership passed
201: ok 2995 # correct SSSR count
201: ok 2996 # ring membership passed
201: ok 2997 # correct SSSR count
201: ok 2998 # ring membership passed
201: ok 2999 # correct SSSR count
201: ok 3000 # ring membership passed
201: ok 3001 # correct SSSR count
201: ok 3002 # ring membership passed
201: ok 3003 # correct SSSR count
201: ok 3004 # ring membership passed
201: ok 3005 # correct SSSR count
201: ok 3006 # ring membership passed
201: ok 3007 # correct SSSR count
201: ok 3008 # ring membership passed
201: ok 3009 # correct SSSR count
201: ok 3010 # ring membership passed
201: ok 3011 # correct SSSR count
201: ok 3012 # ring membership passed
201: ok 3013 # correct SSSR count
201: ok 3014 # ring membership passed
201: ok 3015 # correct SSSR count
201: ok 3016 # ring membership passed
201: ok 3017 # correct SSSR count
201: ok 3018 # ring membership passed
201: ok 3019 # correct SSSR count
201: ok 3020 # ring membership passed
201: ok 3021 # correct ring bond data
201: ok 3022 # correct ring bond data
201: ok 3023 # correct ring bond data
201: ok 3024 # correct ring bond data
201: ok 3025 # correct ring bond data
201: ok 3026 # correct ring bond data
201: ok 3027 # correct ring bond data
201: ok 3028 # correct ring bond data
201: ok 3029 # correct ring bond data
201: ok 3030 # correct ring bond data
201: ok 3031 # correct ring bond data
201: ok 3032 # correct ring bond data
201: ok 3033 # correct ring bond data
201: ok 3034 # correct ring bond data
201: ok 3035 # correct ring bond data
201: ok 3036 # correct ring bond data
201: ok 3037 # correct ring bond data
201: ok 3038 # correct ring bond data
201: ok 3039 # correct ring bond data
201: ok 3040 # correct ring bond data
201: ok 3041 # SSSR size matches reference
201: ok 3042 # correct SSSR count
201: ok 3043 # ring membership passed
201: ok 3044 # correct SSSR count
201: ok 3045 # ring membership passed
201: ok 3046 # correct SSSR count
201: ok 3047 # ring membership passed
201: ok 3048 # correct SSSR count
201: ok 3049 # ring membership passed
201: ok 3050 # correct SSSR count
201: ok 3051 # ring membership passed
201: ok 3052 # correct SSSR count
201: ok 3053 # ring membership passed
201: ok 3054 # correct SSSR count
201: ok 3055 # ring membership passed
201: ok 3056 # correct SSSR count
201: ok 3057 # ring membership passed
201: ok 3058 # correct SSSR count
201: ok 3059 # ring membership passed
201: ok 3060 # correct SSSR count
201: ok 3061 # ring membership passed
201: ok 3062 # correct SSSR count
201: ok 3063 # ring membership passed
201: ok 3064 # correct SSSR count
201: ok 3065 # ring membership passed
201: ok 3066 # correct SSSR count
201: ok 3067 # ring membership passed
201: ok 3068 # correct SSSR count
201: ok 3069 # ring membership passed
201: ok 3070 # correct SSSR count
201: ok 3071 # ring membership passed
201: ok 3072 # correct SSSR count
201: ok 3073 # ring membership passed
201: ok 3074 # correct SSSR count
201: ok 3075 # ring membership passed
201: ok 3076 # correct SSSR count
201: ok 3077 # ring membership passed
201: ok 3078 # correct SSSR count
201: ok 3079 # ring membership passed
201: ok 3080 # correct ring bond data
201: ok 3081 # correct ring bond data
201: ok 3082 # correct ring bond data
201: ok 3083 # correct ring bond data
201: ok 3084 # correct ring bond data
201: ok 3085 # correct ring bond data
201: ok 3086 # correct ring bond data
201: ok 3087 # correct ring bond data
201: ok 3088 # correct ring bond data
201: ok 3089 # correct ring bond data
201: ok 3090 # correct ring bond data
201: ok 3091 # correct ring bond data
201: ok 3092 # correct ring bond data
201: ok 3093 # correct ring bond data
201: ok 3094 # correct ring bond data
201: ok 3095 # correct ring bond data
201: ok 3096 # correct ring bond data
201: ok 3097 # correct ring bond data
201: ok 3098 # correct ring bond data
201: ok 3099 # correct ring bond data
201: ok 3100 # correct ring bond data
201: ok 3101 # SSSR size matches reference
201: ok 3102 # correct SSSR count
201: ok 3103 # ring membership passed
201: ok 3104 # correct SSSR count
201: ok 3105 # ring membership passed
201: ok 3106 # correct SSSR count
201: ok 3107 # ring membership passed
201: ok 3108 # correct SSSR count
201: ok 3109 # ring membership passed
201: ok 3110 # correct SSSR count
201: ok 3111 # ring membership passed
201: ok 3112 # correct SSSR count
201: ok 3113 # ring membership passed
201: ok 3114 # correct SSSR count
201: ok 3115 # ring membership passed
201: ok 3116 # correct SSSR count
201: ok 3117 # ring membership passed
201: ok 3118 # correct SSSR count
201: ok 3119 # ring membership passed
201: ok 3120 # correct SSSR count
201: ok 3121 # ring membership passed
201: ok 3122 # correct SSSR count
201: ok 3123 # ring membership passed
201: ok 3124 # correct SSSR count
201: ok 3125 # ring membership passed
201: ok 3126 # correct SSSR count
201: ok 3127 # ring membership passed
201: ok 3128 # correct SSSR count
201: ok 3129 # ring membership passed
201: ok 3130 # correct SSSR count
201: ok 3131 # ring membership passed
201: ok 3132 # correct SSSR count
201: ok 3133 # ring membership passed
201: ok 3134 # correct SSSR count
201: ok 3135 # ring membership passed
201: ok 3136 # correct SSSR count
201: ok 3137 # ring membership passed
201: ok 3138 # correct SSSR count
201: ok 3139 # ring membership passed
201: ok 3140 # correct SSSR count
201: ok 3141 # ring membership passed
201: ok 3142 # correct ring bond data
201: ok 3143 # correct ring bond data
201: ok 3144 # correct ring bond data
201: ok 3145 # correct ring bond data
201: ok 3146 # correct ring bond data
201: ok 3147 # correct ring bond data
201: ok 3148 # correct ring bond data
201: ok 3149 # correct ring bond data
201: ok 3150 # correct ring bond data
201: ok 3151 # correct ring bond data
201: ok 3152 # correct ring bond data
201: ok 3153 # correct ring bond data
201: ok 3154 # correct ring bond data
201: ok 3155 # correct ring bond data
201: ok 3156 # correct ring bond data
201: ok 3157 # correct ring bond data
201: ok 3158 # correct ring bond data
201: ok 3159 # correct ring bond data
201: ok 3160 # correct ring bond data
201: ok 3161 # correct ring bond data
201: ok 3162 # correct ring bond data
201: ok 3163 # correct ring bond data
201: ok 3164 # SSSR size matches reference
201: ok 3165 # correct SSSR count
201: ok 3166 # ring membership passed
201: ok 3167 # correct SSSR count
201: ok 3168 # ring membership passed
201: ok 3169 # correct SSSR count
201: ok 3170 # ring membership passed
201: ok 3171 # correct SSSR count
201: ok 3172 # ring membership passed
201: ok 3173 # correct SSSR count
201: ok 3174 # ring membership passed
201: ok 3175 # correct SSSR count
201: ok 3176 # ring membership passed
201: ok 3177 # correct SSSR count
201: ok 3178 # ring membership passed
201: ok 3179 # correct SSSR count
201: ok 3180 # ring membership passed
201: ok 3181 # correct SSSR count
201: ok 3182 # ring membership passed
201: ok 3183 # correct SSSR count
201: ok 3184 # ring membership passed
201: ok 3185 # correct SSSR count
201: ok 3186 # ring membership passed
201: ok 3187 # correct SSSR count
201: ok 3188 # ring membership passed
201: ok 3189 # correct SSSR count
201: ok 3190 # ring membership passed
201: ok 3191 # correct SSSR count
201: ok 3192 # ring membership passed
201: ok 3193 # correct SSSR count
201: ok 3194 # ring membership passed
201: ok 3195 # correct SSSR count
201: ok 3196 # ring membership passed
201: ok 3197 # correct SSSR count
201: ok 3198 # ring membership passed
201: ok 3199 # correct SSSR count
201: ok 3200 # ring membership passed
201: ok 3201 # correct SSSR count
201: ok 3202 # ring membership passed
201: ok 3203 # correct SSSR count
201: ok 3204 # ring membership passed
201: ok 3205 # correct SSSR count
201: ok 3206 # ring membership passed
201: ok 3207 # correct SSSR count
201: ok 3208 # ring membership passed
201: ok 3209 # correct ring bond data
201: ok 3210 # correct ring bond data
201: ok 3211 # correct ring bond data
201: ok 3212 # correct ring bond data
201: ok 3213 # correct ring bond data
201: ok 3214 # correct ring bond data
201: ok 3215 # correct ring bond data
201: ok 3216 # correct ring bond data
201: ok 3217 # correct ring bond data
201: ok 3218 # correct ring bond data
201: ok 3219 # correct ring bond data
201: ok 3220 # correct ring bond data
201: ok 3221 # correct ring bond data
201: ok 3222 # correct ring bond data
201: ok 3223 # correct ring bond data
201: ok 3224 # correct ring bond data
201: ok 3225 # correct ring bond data
201: ok 3226 # correct ring bond data
201: ok 3227 # correct ring bond data
201: ok 3228 # correct ring bond data
201: ok 3229 # SSSR size matches reference
201: ok 3230 # correct SSSR count
201: ok 3231 # ring membership passed
201: ok 3232 # correct SSSR count
201: ok 3233 # ring membership passed
201: ok 3234 # correct SSSR count
201: ok 3235 # ring membership passed
201: ok 3236 # correct SSSR count
201: ok 3237 # ring membership passed
201: ok 3238 # correct SSSR count
201: ok 3239 # ring membership passed
201: ok 3240 # correct SSSR count
201: ok 3241 # ring membership passed
201: ok 3242 # correct SSSR count
201: ok 3243 # ring membership passed
201: ok 3244 # correct SSSR count
201: ok 3245 # ring membership passed
201: ok 3246 # correct SSSR count
201: ok 3247 # ring membership passed
201: ok 3248 # correct SSSR count
201: ok 3249 # ring membership passed
201: ok 3250 # correct SSSR count
201: ok 3251 # ring membership passed
201: ok 3252 # correct SSSR count
201: ok 3253 # ring membership passed
201: ok 3254 # correct SSSR count
201: ok 3255 # ring membership passed
201: ok 3256 # correct SSSR count
201: ok 3257 # ring membership passed
201: ok 3258 # correct SSSR count
201: ok 3259 # ring membership passed
201: ok 3260 # correct SSSR count
201: ok 3261 # ring membership passed
201: ok 3262 # correct SSSR count
201: ok 3263 # ring membership passed
201: ok 3264 # correct SSSR count
201: ok 3265 # ring membership passed
201: ok 3266 # correct SSSR count
201: ok 3267 # ring membership passed
201: ok 3268 # correct ring bond data
201: ok 3269 # correct ring bond data
201: ok 3270 # correct ring bond data
201: ok 3271 # correct ring bond data
201: ok 3272 # correct ring bond data
201: ok 3273 # correct ring bond data
201: ok 3274 # correct ring bond data
201: ok 3275 # correct ring bond data
201: ok 3276 # correct ring bond data
201: ok 3277 # correct ring bond data
201: ok 3278 # correct ring bond data
201: ok 3279 # correct ring bond data
201: ok 3280 # correct ring bond data
201: ok 3281 # correct ring bond data
201: ok 3282 # correct ring bond data
201: ok 3283 # correct ring bond data
201: ok 3284 # correct ring bond data
201: ok 3285 # correct ring bond data
201: ok 3286 # correct ring bond data
201: ok 3287 # correct ring bond data
201: ok 3288 # correct ring bond data
201: ok 3289 # correct ring bond data
201: ok 3290 # SSSR size matches reference
201: ok 3291 # correct SSSR count
201: ok 3292 # ring membership passed
201: ok 3293 # correct SSSR count
201: ok 3294 # ring membership passed
201: ok 3295 # correct SSSR count
201: ok 3296 # ring membership passed
201: ok 3297 # correct SSSR count
201: ok 3298 # ring membership passed
201: ok 3299 # correct SSSR count
201: ok 3300 # ring membership passed
201: ok 3301 # correct SSSR count
201: ok 3302 # ring membership passed
201: ok 3303 # correct SSSR count
201: ok 3304 # ring membership passed
201: ok 3305 # correct SSSR count
201: ok 3306 # ring membership passed
201: ok 3307 # correct SSSR count
201: ok 3308 # ring membership passed
201: ok 3309 # correct SSSR count
201: ok 3310 # ring membership passed
201: ok 3311 # correct SSSR count
201: ok 3312 # ring membership passed
201: ok 3313 # correct SSSR count
201: ok 3314 # ring membership passed
201: ok 3315 # correct SSSR count
201: ok 3316 # ring membership passed
201: ok 3317 # correct SSSR count
201: ok 3318 # ring membership passed
201: ok 3319 # correct SSSR count
201: ok 3320 # ring membership passed
201: ok 3321 # correct SSSR count
201: ok 3322 # ring membership passed
201: ok 3323 # correct SSSR count
201: ok 3324 # ring membership passed
201: ok 3325 # correct SSSR count
201: ok 3326 # ring membership passed
201: ok 3327 # correct SSSR count
201: ok 3328 # ring membership passed
201: ok 3329 # correct SSSR count
201: ok 3330 # ring membership passed
201: ok 3331 # correct SSSR count
201: ok 3332 # ring membership passed
201: ok 3333 # correct ring bond data
201: ok 3334 # correct ring bond data
201: ok 3335 # correct ring bond data
201: ok 3336 # correct ring bond data
201: ok 3337 # correct ring bond data
201: ok 3338 # correct ring bond data
201: ok 3339 # correct ring bond data
201: ok 3340 # correct ring bond data
201: ok 3341 # correct ring bond data
201: ok 3342 # correct ring bond data
201: ok 3343 # correct ring bond data
201: ok 3344 # correct ring bond data
201: ok 3345 # correct ring bond data
201: ok 3346 # correct ring bond data
201: ok 3347 # correct ring bond data
201: ok 3348 # correct ring bond data
201: ok 3349 # correct ring bond data
201: ok 3350 # correct ring bond data
201: ok 3351 # correct ring bond data
201: ok 3352 # correct ring bond data
201: ok 3353 # correct ring bond data
201: ok 3354 # SSSR size matches reference
201: ok 3355 # correct SSSR count
201: ok 3356 # ring membership passed
201: ok 3357 # correct SSSR count
201: ok 3358 # ring membership passed
201: ok 3359 # correct SSSR count
201: ok 3360 # ring membership passed
201: ok 3361 # correct SSSR count
201: ok 3362 # ring membership passed
201: ok 3363 # correct SSSR count
201: ok 3364 # ring membership passed
201: ok 3365 # correct SSSR count
201: ok 3366 # ring membership passed
201: ok 3367 # correct SSSR count
201: ok 3368 # ring membership passed
201: ok 3369 # correct SSSR count
201: ok 3370 # ring membership passed
201: ok 3371 # correct SSSR count
201: ok 3372 # ring membership passed
201: ok 3373 # correct SSSR count
201: ok 3374 # ring membership passed
201: ok 3375 # correct SSSR count
201: ok 3376 # ring membership passed
201: ok 3377 # correct SSSR count
201: ok 3378 # ring membership passed
201: ok 3379 # correct SSSR count
201: ok 3380 # ring membership passed
201: ok 3381 # correct SSSR count
201: ok 3382 # ring membership passed
201: ok 3383 # correct SSSR count
201: ok 3384 # ring membership passed
201: ok 3385 # correct SSSR count
201: ok 3386 # ring membership passed
201: ok 3387 # correct SSSR count
201: ok 3388 # ring membership passed
201: ok 3389 # correct SSSR count
201: ok 3390 # ring membership passed
201: ok 3391 # correct SSSR count
201: ok 3392 # ring membership passed
201: ok 3393 # correct SSSR count
201: ok 3394 # ring membership passed
201: ok 3395 # correct ring bond data
201: ok 3396 # correct ring bond data
201: ok 3397 # correct ring bond data
201: ok 3398 # correct ring bond data
201: ok 3399 # correct ring bond data
201: ok 3400 # correct ring bond data
201: ok 3401 # correct ring bond data
201: ok 3402 # correct ring bond data
201: ok 3403 # correct ring bond data
201: ok 3404 # correct ring bond data
201: ok 3405 # correct ring bond data
201: ok 3406 # correct ring bond data
201: ok 3407 # correct ring bond data
201: ok 3408 # correct ring bond data
201: ok 3409 # correct ring bond data
201: ok 3410 # correct ring bond data
201: ok 3411 # correct ring bond data
201: ok 3412 # correct ring bond data
201: ok 3413 # correct ring bond data
201: ok 3414 # correct ring bond data
201: ok 3415 # SSSR size matches reference
201: ok 3416 # correct SSSR count
201: ok 3417 # ring membership passed
201: ok 3418 # correct SSSR count
201: ok 3419 # ring membership passed
201: ok 3420 # correct SSSR count
201: ok 3421 # ring membership passed
201: ok 3422 # correct SSSR count
201: ok 3423 # ring membership passed
201: ok 3424 # correct SSSR count
201: ok 3425 # ring membership passed
201: ok 3426 # correct SSSR count
201: ok 3427 # ring membership passed
201: ok 3428 # correct SSSR count
201: ok 3429 # ring membership passed
201: ok 3430 # correct SSSR count
201: ok 3431 # ring membership passed
201: ok 3432 # correct SSSR count
201: ok 3433 # ring membership passed
201: ok 3434 # correct SSSR count
201: ok 3435 # ring membership passed
201: ok 3436 # correct SSSR count
201: ok 3437 # ring membership passed
201: ok 3438 # correct SSSR count
201: ok 3439 # ring membership passed
201: ok 3440 # correct SSSR count
201: ok 3441 # ring membership passed
201: ok 3442 # correct SSSR count
201: ok 3443 # ring membership passed
201: ok 3444 # correct SSSR count
201: ok 3445 # ring membership passed
201: ok 3446 # correct SSSR count
201: ok 3447 # ring membership passed
201: ok 3448 # correct SSSR count
201: ok 3449 # ring membership passed
201: ok 3450 # correct SSSR count
201: ok 3451 # ring membership passed
201: ok 3452 # correct SSSR count
201: ok 3453 # ring membership passed
201: ok 3454 # correct SSSR count
201: ok 3455 # ring membership passed
201: ok 3456 # correct ring bond data
201: ok 3457 # correct ring bond data
201: ok 3458 # correct ring bond data
201: ok 3459 # correct ring bond data
201: ok 3460 # correct ring bond data
201: ok 3461 # correct ring bond data
201: ok 3462 # correct ring bond data
201: ok 3463 # correct ring bond data
201: ok 3464 # correct ring bond data
201: ok 3465 # correct ring bond data
201: ok 3466 # correct ring bond data
201: ok 3467 # correct ring bond data
201: ok 3468 # correct ring bond data
201: ok 3469 # correct ring bond data
201: ok 3470 # correct ring bond data
201: ok 3471 # correct ring bond data
201: ok 3472 # correct ring bond data
201: ok 3473 # correct ring bond data
201: ok 3474 # correct ring bond data
201: ok 3475 # correct ring bond data
201: ok 3476 # correct ring bond data
201: ok 3477 # correct ring bond data
201: ok 3478 # SSSR size matches reference
201: ok 3479 # correct SSSR count
201: ok 3480 # ring membership passed
201: ok 3481 # correct SSSR count
201: ok 3482 # ring membership passed
201: ok 3483 # correct SSSR count
201: ok 3484 # ring membership passed
201: ok 3485 # correct SSSR count
201: ok 3486 # ring membership passed
201: ok 3487 # correct SSSR count
201: ok 3488 # ring membership passed
201: ok 3489 # correct SSSR count
201: ok 3490 # ring membership passed
201: ok 3491 # correct SSSR count
201: ok 3492 # ring membership passed
201: ok 3493 # correct SSSR count
201: ok 3494 # ring membership passed
201: ok 3495 # correct SSSR count
201: ok 3496 # ring membership passed
201: ok 3497 # correct SSSR count
201: ok 3498 # ring membership passed
201: ok 3499 # correct SSSR count
201: ok 3500 # ring membership passed
201: ok 3501 # correct SSSR count
201: ok 3502 # ring membership passed
201: ok 3503 # correct SSSR count
201: ok 3504 # ring membership passed
201: ok 3505 # correct SSSR count
201: ok 3506 # ring membership passed
201: ok 3507 # correct SSSR count
201: ok 3508 # ring membership passed
201: ok 3509 # correct SSSR count
201: ok 3510 # ring membership passed
201: ok 3511 # correct SSSR count
201: ok 3512 # ring membership passed
201: ok 3513 # correct SSSR count
201: ok 3514 # ring membership passed
201: ok 3515 # correct SSSR count
201: ok 3516 # ring membership passed
201: ok 3517 # correct SSSR count
201: ok 3518 # ring membership passed
201: ok 3519 # correct SSSR count
201: ok 3520 # ring membership passed
201: ok 3521 # correct ring bond data
201: ok 3522 # correct ring bond data
201: ok 3523 # correct ring bond data
201: ok 3524 # correct ring bond data
201: ok 3525 # correct ring bond data
201: ok 3526 # correct ring bond data
201: ok 3527 # correct ring bond data
201: ok 3528 # correct ring bond data
201: ok 3529 # correct ring bond data
201: ok 3530 # correct ring bond data
201: ok 3531 # correct ring bond data
201: ok 3532 # correct ring bond data
201: ok 3533 # correct ring bond data
201: ok 3534 # correct ring bond data
201: ok 3535 # correct ring bond data
201: ok 3536 # correct ring bond data
201: ok 3537 # correct ring bond data
201: ok 3538 # correct ring bond data
201: ok 3539 # correct ring bond data
201: ok 3540 # correct ring bond data
201: ok 3541 # correct ring bond data
201: ok 3542 # correct ring bond data
201: ok 3543 # correct ring bond data
201: ok 3544 # correct ring bond data
201: ok 3545 # correct ring bond data
201: ok 3546 # correct ring bond data
201: ok 3547 # correct ring bond data
201: ok 3548 # SSSR size matches reference
201: ok 3549 # correct SSSR count
201: ok 3550 # ring membership passed
201: ok 3551 # correct SSSR count
201: ok 3552 # ring membership passed
201: ok 3553 # correct SSSR count
201: ok 3554 # ring membership passed
201: ok 3555 # correct SSSR count
201: ok 3556 # ring membership passed
201: ok 3557 # correct SSSR count
201: ok 3558 # ring membership passed
201: ok 3559 # correct SSSR count
201: ok 3560 # ring membership passed
201: ok 3561 # correct SSSR count
201: ok 3562 # ring membership passed
201: ok 3563 # correct SSSR count
201: ok 3564 # ring membership passed
201: ok 3565 # correct SSSR count
201: ok 3566 # ring membership passed
201: ok 3567 # correct SSSR count
201: ok 3568 # ring membership passed
201: ok 3569 # correct SSSR count
201: ok 3570 # ring membership passed
201: ok 3571 # correct SSSR count
201: ok 3572 # ring membership passed
201: ok 3573 # correct SSSR count
201: ok 3574 # ring membership passed
201: ok 3575 # correct SSSR count
201: ok 3576 # ring membership passed
201: ok 3577 # correct SSSR count
201: ok 3578 # ring membership passed
201: ok 3579 # correct SSSR count
201: ok 3580 # ring membership passed
201: ok 3581 # correct SSSR count
201: ok 3582 # ring membership passed
201: ok 3583 # correct SSSR count
201: ok 3584 # ring membership passed
201: ok 3585 # correct SSSR count
201: ok 3586 # ring membership passed
201: ok 3587 # correct SSSR count
201: ok 3588 # ring membership passed
201: ok 3589 # correct SSSR count
201: ok 3590 # ring membership passed
201: ok 3591 # correct SSSR count
201: ok 3592 # ring membership passed
201: ok 3593 # correct SSSR count
201: ok 3594 # ring membership passed
201: ok 3595 # correct SSSR count
201: ok 3596 # ring membership passed
201: ok 3597 # correct SSSR count
201: ok 3598 # ring membership passed
201: ok 3599 # correct ring bond data
201: ok 3600 # correct ring bond data
201: ok 3601 # correct ring bond data
201: ok 3602 # correct ring bond data
201: ok 3603 # correct ring bond data
201: ok 3604 # correct ring bond data
201: ok 3605 # correct ring bond data
201: ok 3606 # correct ring bond data
201: ok 3607 # correct ring bond data
201: ok 3608 # correct ring bond data
201: ok 3609 # correct ring bond data
201: ok 3610 # correct ring bond data
201: ok 3611 # correct ring bond data
201: ok 3612 # correct ring bond data
201: ok 3613 # SSSR size matches reference
201: ok 3614 # correct SSSR count
201: ok 3615 # ring membership passed
201: ok 3616 # correct SSSR count
201: ok 3617 # ring membership passed
201: ok 3618 # correct SSSR count
201: ok 3619 # ring membership passed
201: ok 3620 # correct SSSR count
201: ok 3621 # ring membership passed
201: ok 3622 # correct SSSR count
201: ok 3623 # ring membership passed
201: ok 3624 # correct SSSR count
201: ok 3625 # ring membership passed
201: ok 3626 # correct SSSR count
201: ok 3627 # ring membership passed
201: ok 3628 # correct SSSR count
201: ok 3629 # ring membership passed
201: ok 3630 # correct SSSR count
201: ok 3631 # ring membership passed
201: ok 3632 # correct SSSR count
201: ok 3633 # ring membership passed
201: ok 3634 # correct SSSR count
201: ok 3635 # ring membership passed
201: ok 3636 # correct SSSR count
201: ok 3637 # ring membership passed
201: ok 3638 # correct SSSR count
201: ok 3639 # ring membership passed
201: ok 3640 # correct SSSR count
201: ok 3641 # ring membership passed
201: ok 3642 # correct ring bond data
201: ok 3643 # correct ring bond data
201: ok 3644 # correct ring bond data
201: ok 3645 # correct ring bond data
201: ok 3646 # correct ring bond data
201: ok 3647 # correct ring bond data
201: ok 3648 # correct ring bond data
201: ok 3649 # correct ring bond data
201: ok 3650 # correct ring bond data
201: ok 3651 # correct ring bond data
201: ok 3652 # correct ring bond data
201: ok 3653 # correct ring bond data
201: ok 3654 # correct ring bond data
201: ok 3655 # correct ring bond data
201: ok 3656 # correct ring bond data
201: ok 3657 # correct ring bond data
201: ok 3658 # correct ring bond data
201: ok 3659 # correct ring bond data
201: ok 3660 # correct ring bond data
201: ok 3661 # correct ring bond data
201: ok 3662 # correct ring bond data
201: ok 3663 # correct ring bond data
201: ok 3664 # SSSR size matches reference
201: ok 3665 # correct SSSR count
201: ok 3666 # ring membership passed
201: ok 3667 # correct SSSR count
201: ok 3668 # ring membership passed
201: ok 3669 # correct SSSR count
201: ok 3670 # ring membership passed
201: ok 3671 # correct SSSR count
201: ok 3672 # ring membership passed
201: ok 3673 # correct SSSR count
201: ok 3674 # ring membership passed
201: ok 3675 # correct SSSR count
201: ok 3676 # ring membership passed
201: ok 3677 # correct SSSR count
201: ok 3678 # ring membership passed
201: ok 3679 # correct SSSR count
201: ok 3680 # ring membership passed
201: ok 3681 # correct SSSR count
201: ok 3682 # ring membership passed
201: ok 3683 # correct SSSR count
201: ok 3684 # ring membership passed
201: ok 3685 # correct SSSR count
201: ok 3686 # ring membership passed
201: ok 3687 # correct SSSR count
201: ok 3688 # ring membership passed
201: ok 3689 # correct SSSR count
201: ok 3690 # ring membership passed
201: ok 3691 # correct SSSR count
201: ok 3692 # ring membership passed
201: ok 3693 # correct SSSR count
201: ok 3694 # ring membership passed
201: ok 3695 # correct SSSR count
201: ok 3696 # ring membership passed
201: ok 3697 # correct SSSR count
201: ok 3698 # ring membership passed
201: ok 3699 # correct SSSR count
201: ok 3700 # ring membership passed
201: ok 3701 # correct SSSR count
201: ok 3702 # ring membership passed
201: ok 3703 # correct SSSR count
201: ok 3704 # ring membership passed
201: ok 3705 # correct SSSR count
201: ok 3706 # ring membership passed
201: ok 3707 # correct SSSR count
201: ok 3708 # ring membership passed
201: ok 3709 # correct ring bond data
201: ok 3710 # correct ring bond data
201: ok 3711 # correct ring bond data
201: ok 3712 # correct ring bond data
201: ok 3713 # correct ring bond data
201: ok 3714 # correct ring bond data
201: ok 3715 # correct ring bond data
201: ok 3716 # correct ring bond data
201: ok 3717 # correct ring bond data
201: ok 3718 # correct ring bond data
201: ok 3719 # correct ring bond data
201: ok 3720 # correct ring bond data
201: ok 3721 # correct ring bond data
201: ok 3722 # SSSR size matches reference
201: ok 3723 # correct SSSR count
201: ok 3724 # ring membership passed
201: ok 3725 # correct SSSR count
201: ok 3726 # ring membership passed
201: ok 3727 # correct SSSR count
201: ok 3728 # ring membership passed
201: ok 3729 # correct SSSR count
201: ok 3730 # ring membership passed
201: ok 3731 # correct SSSR count
201: ok 3732 # ring membership passed
201: ok 3733 # correct SSSR count
201: ok 3734 # ring membership passed
201: ok 3735 # correct SSSR count
201: ok 3736 # ring membership passed
201: ok 3737 # correct SSSR count
201: ok 3738 # ring membership passed
201: ok 3739 # correct SSSR count
201: ok 3740 # ring membership passed
201: ok 3741 # correct SSSR count
201: ok 3742 # ring membership passed
201: ok 3743 # correct SSSR count
201: ok 3744 # ring membership passed
201: ok 3745 # correct SSSR count
201: ok 3746 # ring membership passed
201: ok 3747 # correct SSSR count
201: ok 3748 # ring membership passed
201: ok 3749 # correct SSSR count
201: ok 3750 # ring membership passed
201: ok 3751 # correct ring bond data
201: ok 3752 # correct ring bond data
201: ok 3753 # correct ring bond data
201: ok 3754 # correct ring bond data
201: ok 3755 # correct ring bond data
201: ok 3756 # correct ring bond data
201: ok 3757 # correct ring bond data
201: ok 3758 # correct ring bond data
201: ok 3759 # correct ring bond data
201: ok 3760 # correct ring bond data
201: ok 3761 # correct ring bond data
201: ok 3762 # correct ring bond data
201: ok 3763 # correct ring bond data
201: ok 3764 # correct ring bond data
201: ok 3765 # correct ring bond data
201: ok 3766 # correct ring bond data
201: ok 3767 # correct ring bond data
201: ok 3768 # correct ring bond data
201: ok 3769 # correct ring bond data
201: ok 3770 # correct ring bond data
201: ok 3771 # correct ring bond data
201: ok 3772 # correct ring bond data
201: ok 3773 # correct ring bond data
201: ok 3774 # correct ring bond data
201: ok 3775 # correct ring bond data
201: ok 3776 # correct ring bond data
201: ok 3777 # correct ring bond data
201: ok 3778 # correct ring bond data
201: ok 3779 # correct ring bond data
201: ok 3780 # correct ring bond data
201: ok 3781 # correct ring bond data
201: ok 3782 # SSSR size matches reference
201: ok 3783 # correct SSSR count
201: ok 3784 # ring membership passed
201: ok 3785 # correct SSSR count
201: ok 3786 # ring membership passed
201: ok 3787 # correct SSSR count
201: ok 3788 # ring membership passed
201: ok 3789 # correct SSSR count
201: ok 3790 # ring membership passed
201: ok 3791 # correct SSSR count
201: ok 3792 # ring membership passed
201: ok 3793 # correct SSSR count
201: ok 3794 # ring membership passed
201: ok 3795 # correct SSSR count
201: ok 3796 # ring membership passed
201: ok 3797 # correct SSSR count
201: ok 3798 # ring membership passed
201: ok 3799 # correct SSSR count
201: ok 3800 # ring membership passed
201: ok 3801 # correct SSSR count
201: ok 3802 # ring membership passed
201: ok 3803 # correct SSSR count
201: ok 3804 # ring membership passed
201: ok 3805 # correct SSSR count
201: ok 3806 # ring membership passed
201: ok 3807 # correct SSSR count
201: ok 3808 # ring membership passed
201: ok 3809 # correct SSSR count
201: ok 3810 # ring membership passed
201: ok 3811 # correct SSSR count
201: ok 3812 # ring membership passed
201: ok 3813 # correct SSSR count
201: ok 3814 # ring membership passed
201: ok 3815 # correct SSSR count
201: ok 3816 # ring membership passed
201: ok 3817 # correct SSSR count
201: ok 3818 # ring membership passed
201: ok 3819 # correct SSSR count
201: ok 3820 # ring membership passed
201: ok 3821 # correct SSSR count
201: ok 3822 # ring membership passed
201: ok 3823 # correct SSSR count
201: ok 3824 # ring membership passed
201: ok 3825 # correct SSSR count
201: ok 3826 # ring membership passed
201: ok 3827 # correct SSSR count
201: ok 3828 # ring membership passed
201: ok 3829 # correct SSSR count
201: ok 3830 # ring membership passed
201: ok 3831 # correct SSSR count
201: ok 3832 # ring membership passed
201: ok 3833 # correct SSSR count
201: ok 3834 # ring membership passed
201: ok 3835 # correct SSSR count
201: ok 3836 # ring membership passed
201: ok 3837 # correct SSSR count
201: ok 3838 # ring membership passed
201: ok 3839 # correct ring bond data
201: ok 3840 # correct ring bond data
201: ok 3841 # correct ring bond data
201: ok 3842 # correct ring bond data
201: ok 3843 # correct ring bond data
201: ok 3844 # correct ring bond data
201: ok 3845 # correct ring bond data
201: ok 3846 # correct ring bond data
201: ok 3847 # correct ring bond data
201: ok 3848 # correct ring bond data
201: ok 3849 # correct ring bond data
201: ok 3850 # correct ring bond data
201: ok 3851 # correct ring bond data
201: ok 3852 # correct ring bond data
201: ok 3853 # correct ring bond data
201: ok 3854 # correct ring bond data
201: ok 3855 # correct ring bond data
201: ok 3856 # correct ring bond data
201: ok 3857 # correct ring bond data
201: ok 3858 # correct ring bond data
201: ok 3859 # correct ring bond data
201: ok 3860 # correct ring bond data
201: ok 3861 # correct ring bond data
201: ok 3862 # correct ring bond data
201: ok 3863 # SSSR size matches reference
201: ok 3864 # correct SSSR count
201: ok 3865 # ring membership passed
201: ok 3866 # correct SSSR count
201: ok 3867 # ring membership passed
201: ok 3868 # correct SSSR count
201: ok 3869 # ring membership passed
201: ok 3870 # correct SSSR count
201: ok 3871 # ring membership passed
201: ok 3872 # correct SSSR count
201: ok 3873 # ring membership passed
201: ok 3874 # correct SSSR count
201: ok 3875 # ring membership passed
201: ok 3876 # correct SSSR count
201: ok 3877 # ring membership passed
201: ok 3878 # correct SSSR count
201: ok 3879 # ring membership passed
201: ok 3880 # correct SSSR count
201: ok 3881 # ring membership passed
201: ok 3882 # correct SSSR count
201: ok 3883 # ring membership passed
201: ok 3884 # correct SSSR count
201: ok 3885 # ring membership passed
201: ok 3886 # correct SSSR count
201: ok 3887 # ring membership passed
201: ok 3888 # correct SSSR count
201: ok 3889 # ring membership passed
201: ok 3890 # correct SSSR count
201: ok 3891 # ring membership passed
201: ok 3892 # correct SSSR count
201: ok 3893 # ring membership passed
201: ok 3894 # correct SSSR count
201: ok 3895 # ring membership passed
201: ok 3896 # correct SSSR count
201: ok 3897 # ring membership passed
201: ok 3898 # correct SSSR count
201: ok 3899 # ring membership passed
201: ok 3900 # correct SSSR count
201: ok 3901 # ring membership passed
201: ok 3902 # correct SSSR count
201: ok 3903 # ring membership passed
201: ok 3904 # correct SSSR count
201: ok 3905 # ring membership passed
201: ok 3906 # correct SSSR count
201: ok 3907 # ring membership passed
201: ok 3908 # correct ring bond data
201: ok 3909 # correct ring bond data
201: ok 3910 # correct ring bond data
201: ok 3911 # correct ring bond data
201: ok 3912 # correct ring bond data
201: ok 3913 # correct ring bond data
201: ok 3914 # correct ring bond data
201: ok 3915 # correct ring bond data
201: ok 3916 # correct ring bond data
201: ok 3917 # correct ring bond data
201: ok 3918 # correct ring bond data
201: ok 3919 # correct ring bond data
201: ok 3920 # correct ring bond data
201: ok 3921 # correct ring bond data
201: ok 3922 # correct ring bond data
201: ok 3923 # correct ring bond data
201: ok 3924 # correct ring bond data
201: ok 3925 # correct ring bond data
201: ok 3926 # correct ring bond data
201: ok 3927 # correct ring bond data
201: ok 3928 # correct ring bond data
201: ok 3929 # correct ring bond data
201: ok 3930 # correct ring bond data
201: ok 3931 # SSSR size matches reference
201: ok 3932 # correct SSSR count
201: ok 3933 # ring membership passed
201: ok 3934 # correct SSSR count
201: ok 3935 # ring membership passed
201: ok 3936 # correct SSSR count
201: ok 3937 # ring membership passed
201: ok 3938 # correct SSSR count
201: ok 3939 # ring membership passed
201: ok 3940 # correct SSSR count
201: ok 3941 # ring membership passed
201: ok 3942 # correct SSSR count
201: ok 3943 # ring membership passed
201: ok 3944 # correct SSSR count
201: ok 3945 # ring membership passed
201: ok 3946 # correct SSSR count
201: ok 3947 # ring membership passed
201: ok 3948 # correct SSSR count
201: ok 3949 # ring membership passed
201: ok 3950 # correct SSSR count
201: ok 3951 # ring membership passed
201: ok 3952 # correct SSSR count
201: ok 3953 # ring membership passed
201: ok 3954 # correct SSSR count
201: ok 3955 # ring membership passed
201: ok 3956 # correct SSSR count
201: ok 3957 # ring membership passed
201: ok 3958 # correct SSSR count
201: ok 3959 # ring membership passed
201: ok 3960 # correct SSSR count
201: ok 3961 # ring membership passed
201: ok 3962 # correct SSSR count
201: ok 3963 # ring membership passed
201: ok 3964 # correct SSSR count
201: ok 3965 # ring membership passed
201: ok 3966 # correct SSSR count
201: ok 3967 # ring membership passed
201: ok 3968 # correct SSSR count
201: ok 3969 # ring membership passed
201: ok 3970 # correct SSSR count
201: ok 3971 # ring membership passed
201: ok 3972 # correct SSSR count
201: ok 3973 # ring membership passed
201: ok 3974 # correct ring bond data
201: ok 3975 # correct ring bond data
201: ok 3976 # correct ring bond data
201: ok 3977 # correct ring bond data
201: ok 3978 # correct ring bond data
201: ok 3979 # correct ring bond data
201: ok 3980 # correct ring bond data
201: ok 3981 # correct ring bond data
201: ok 3982 # correct ring bond data
201: ok 3983 # correct ring bond data
201: ok 3984 # correct ring bond data
201: ok 3985 # correct ring bond data
201: ok 3986 # correct ring bond data
201: ok 3987 # SSSR size matches reference
201: ok 3988 # correct SSSR count
201: ok 3989 # ring membership passed
201: ok 3990 # correct SSSR count
201: ok 3991 # ring membership passed
201: ok 3992 # correct SSSR count
201: ok 3993 # ring membership passed
201: ok 3994 # correct SSSR count
201: ok 3995 # ring membership passed
201: ok 3996 # correct SSSR count
201: ok 3997 # ring membership passed
201: ok 3998 # correct SSSR count
201: ok 3999 # ring membership passed
201: ok 4000 # correct SSSR count
201: ok 4001 # ring membership passed
201: ok 4002 # correct SSSR count
201: ok 4003 # ring membership passed
201: ok 4004 # correct SSSR count
201: ok 4005 # ring membership passed
201: ok 4006 # correct SSSR count
201: ok 4007 # ring membership passed
201: ok 4008 # correct SSSR count
201: ok 4009 # ring membership passed
201: ok 4010 # correct SSSR count
201: ok 4011 # ring membership passed
201: ok 4012 # correct SSSR count
201: ok 4013 # ring membership passed
201: ok 4014 # correct ring bond data
201: ok 4015 # correct ring bond data
201: ok 4016 # correct ring bond data
201: ok 4017 # correct ring bond data
201: ok 4018 # correct ring bond data
201: ok 4019 # correct ring bond data
201: ok 4020 # correct ring bond data
201: ok 4021 # correct ring bond data
201: ok 4022 # correct ring bond data
201: ok 4023 # correct ring bond data
201: ok 4024 # correct ring bond data
201: ok 4025 # correct ring bond data
201: ok 4026 # correct ring bond data
201: ok 4027 # correct ring bond data
201: ok 4028 # correct ring bond data
201: ok 4029 # correct ring bond data
201: ok 4030 # correct ring bond data
201: ok 4031 # correct ring bond data
201: ok 4032 # correct ring bond data
201: ok 4033 # correct ring bond data
201: ok 4034 # correct ring bond data
201: ok 4035 # correct ring bond data
201: ok 4036 # correct ring bond data
201: ok 4037 # SSSR size matches reference
201: ok 4038 # correct SSSR count
201: ok 4039 # ring membership passed
201: ok 4040 # correct SSSR count
201: ok 4041 # ring membership passed
201: ok 4042 # correct SSSR count
201: ok 4043 # ring membership passed
201: ok 4044 # correct SSSR count
201: ok 4045 # ring membership passed
201: ok 4046 # correct SSSR count
201: ok 4047 # ring membership passed
201: ok 4048 # correct SSSR count
201: ok 4049 # ring membership passed
201: ok 4050 # correct SSSR count
201: ok 4051 # ring membership passed
201: ok 4052 # correct SSSR count
201: ok 4053 # ring membership passed
201: ok 4054 # correct SSSR count
201: ok 4055 # ring membership passed
201: ok 4056 # correct SSSR count
201: ok 4057 # ring membership passed
201: ok 4058 # correct SSSR count
201: ok 4059 # ring membership passed
201: ok 4060 # correct SSSR count
201: ok 4061 # ring membership passed
201: ok 4062 # correct SSSR count
201: ok 4063 # ring membership passed
201: ok 4064 # correct SSSR count
201: ok 4065 # ring membership passed
201: ok 4066 # correct SSSR count
201: ok 4067 # ring membership passed
201: ok 4068 # correct SSSR count
201: ok 4069 # ring membership passed
201: ok 4070 # correct SSSR count
201: ok 4071 # ring membership passed
201: ok 4072 # correct SSSR count
201: ok 4073 # ring membership passed
201: ok 4074 # correct SSSR count
201: ok 4075 # ring membership passed
201: ok 4076 # correct SSSR count
201: ok 4077 # ring membership passed
201: ok 4078 # correct SSSR count
201: ok 4079 # ring membership passed
201: ok 4080 # correct ring bond data
201: ok 4081 # correct ring bond data
201: ok 4082 # correct ring bond data
201: ok 4083 # correct ring bond data
201: ok 4084 # correct ring bond data
201: ok 4085 # correct ring bond data
201: ok 4086 # correct ring bond data
201: ok 4087 # correct ring bond data
201: ok 4088 # correct ring bond data
201: ok 4089 # correct ring bond data
201: ok 4090 # correct ring bond data
201: ok 4091 # correct ring bond data
201: ok 4092 # correct ring bond data
201: ok 4093 # correct ring bond data
201: ok 4094 # correct ring bond data
201: ok 4095 # correct ring bond data
201: ok 4096 # correct ring bond data
201: ok 4097 # SSSR size matches reference
201: ok 4098 # correct SSSR count
201: ok 4099 # ring membership passed
201: ok 4100 # correct SSSR count
201: ok 4101 # ring membership passed
201: ok 4102 # correct SSSR count
201: ok 4103 # ring membership passed
201: ok 4104 # correct SSSR count
201: ok 4105 # ring membership passed
201: ok 4106 # correct SSSR count
201: ok 4107 # ring membership passed
201: ok 4108 # correct SSSR count
201: ok 4109 # ring membership passed
201: ok 4110 # correct SSSR count
201: ok 4111 # ring membership passed
201: ok 4112 # correct SSSR count
201: ok 4113 # ring membership passed
201: ok 4114 # correct SSSR count
201: ok 4115 # ring membership passed
201: ok 4116 # correct SSSR count
201: ok 4117 # ring membership passed
201: ok 4118 # correct SSSR count
201: ok 4119 # ring membership passed
201: ok 4120 # correct SSSR count
201: ok 4121 # ring membership passed
201: ok 4122 # correct SSSR count
201: ok 4123 # ring membership passed
201: ok 4124 # correct SSSR count
201: ok 4125 # ring membership passed
201: ok 4126 # correct SSSR count
201: ok 4127 # ring membership passed
201: ok 4128 # correct SSSR count
201: ok 4129 # ring membership passed
201: ok 4130 # correct ring bond data
201: ok 4131 # correct ring bond data
201: ok 4132 # correct ring bond data
201: ok 4133 # correct ring bond data
201: ok 4134 # correct ring bond data
201: ok 4135 # correct ring bond data
201: ok 4136 # correct ring bond data
201: ok 4137 # correct ring bond data
201: ok 4138 # correct ring bond data
201: ok 4139 # correct ring bond data
201: ok 4140 # correct ring bond data
201: ok 4141 # correct ring bond data
201: ok 4142 # correct ring bond data
201: ok 4143 # correct ring bond data
201: ok 4144 # correct ring bond data
201: ok 4145 # correct ring bond data
201: ok 4146 # correct ring bond data
201: ok 4147 # correct ring bond data
201: ok 4148 # correct ring bond data
201: ok 4149 # correct ring bond data
201: ok 4150 # correct ring bond data
201: ok 4151 # correct ring bond data
201: ok 4152 # correct ring bond data
201: ok 4153 # correct ring bond data
201: ok 4154 # SSSR size matches reference
201: ok 4155 # correct SSSR count
201: ok 4156 # ring membership passed
201: ok 4157 # correct SSSR count
201: ok 4158 # ring membership passed
201: ok 4159 # correct SSSR count
201: ok 4160 # ring membership passed
201: ok 4161 # correct SSSR count
201: ok 4162 # ring membership passed
201: ok 4163 # correct SSSR count
201: ok 4164 # ring membership passed
201: ok 4165 # correct SSSR count
201: ok 4166 # ring membership passed
201: ok 4167 # correct SSSR count
201: ok 4168 # ring membership passed
201: ok 4169 # correct SSSR count
201: ok 4170 # ring membership passed
201: ok 4171 # correct SSSR count
201: ok 4172 # ring membership passed
201: ok 4173 # correct SSSR count
201: ok 4174 # ring membership passed
201: ok 4175 # correct SSSR count
201: ok 4176 # ring membership passed
201: ok 4177 # correct SSSR count
201: ok 4178 # ring membership passed
201: ok 4179 # correct SSSR count
201: ok 4180 # ring membership passed
201: ok 4181 # correct SSSR count
201: ok 4182 # ring membership passed
201: ok 4183 # correct SSSR count
201: ok 4184 # ring membership passed
201: ok 4185 # correct SSSR count
201: ok 4186 # ring membership passed
201: ok 4187 # correct SSSR count
201: ok 4188 # ring membership passed
201: ok 4189 # correct SSSR count
201: ok 4190 # ring membership passed
201: ok 4191 # correct SSSR count
201: ok 4192 # ring membership passed
201: ok 4193 # correct SSSR count
201: ok 4194 # ring membership passed
201: ok 4195 # correct SSSR count
201: ok 4196 # ring membership passed
201: ok 4197 # correct SSSR count
201: ok 4198 # ring membership passed
201: ok 4199 # correct ring bond data
201: ok 4200 # correct ring bond data
201: ok 4201 # correct ring bond data
201: ok 4202 # correct ring bond data
201: ok 4203 # correct ring bond data
201: ok 4204 # correct ring bond data
201: ok 4205 # correct ring bond data
201: ok 4206 # correct ring bond data
201: ok 4207 # correct ring bond data
201: ok 4208 # correct ring bond data
201: ok 4209 # correct ring bond data
201: ok 4210 # correct ring bond data
201: ok 4211 # correct ring bond data
201: ok 4212 # correct ring bond data
201: ok 4213 # correct ring bond data
201: ok 4214 # correct ring bond data
201: ok 4215 # correct ring bond data
201: ok 4216 # SSSR size matches reference
201: ok 4217 # correct SSSR count
201: ok 4218 # ring membership passed
201: ok 4219 # correct SSSR count
201: ok 4220 # ring membership passed
201: ok 4221 # correct SSSR count
201: ok 4222 # ring membership passed
201: ok 4223 # correct SSSR count
201: ok 4224 # ring membership passed
201: ok 4225 # correct SSSR count
201: ok 4226 # ring membership passed
201: ok 4227 # correct SSSR count
201: ok 4228 # ring membership passed
201: ok 4229 # correct SSSR count
201: ok 4230 # ring membership passed
201: ok 4231 # correct SSSR count
201: ok 4232 # ring membership passed
201: ok 4233 # correct SSSR count
201: ok 4234 # ring membership passed
201: ok 4235 # correct SSSR count
201: ok 4236 # ring membership passed
201: ok 4237 # correct SSSR count
201: ok 4238 # ring membership passed
201: ok 4239 # correct SSSR count
201: ok 4240 # ring membership passed
201: ok 4241 # correct SSSR count
201: ok 4242 # ring membership passed
201: ok 4243 # correct SSSR count
201: ok 4244 # ring membership passed
201: ok 4245 # correct SSSR count
201: ok 4246 # ring membership passed
201: ok 4247 # correct SSSR count
201: ok 4248 # ring membership passed
201: ok 4249 # correct ring bond data
201: ok 4250 # correct ring bond data
201: ok 4251 # correct ring bond data
201: ok 4252 # correct ring bond data
201: ok 4253 # correct ring bond data
201: ok 4254 # correct ring bond data
201: ok 4255 # correct ring bond data
201: ok 4256 # correct ring bond data
201: ok 4257 # correct ring bond data
201: ok 4258 # correct ring bond data
201: ok 4259 # correct ring bond data
201: ok 4260 # correct ring bond data
201: ok 4261 # correct ring bond data
201: ok 4262 # correct ring bond data
201: ok 4263 # correct ring bond data
201: ok 4264 # correct ring bond data
201: ok 4265 # correct ring bond data
201: ok 4266 # correct ring bond data
201: ok 4267 # SSSR size matches reference
201: ok 4268 # correct SSSR count
201: ok 4269 # ring membership passed
201: ok 4270 # correct SSSR count
201: ok 4271 # ring membership passed
201: ok 4272 # correct SSSR count
201: ok 4273 # ring membership passed
201: ok 4274 # correct SSSR count
201: ok 4275 # ring membership passed
201: ok 4276 # correct SSSR count
201: ok 4277 # ring membership passed
201: ok 4278 # correct SSSR count
201: ok 4279 # ring membership passed
201: ok 4280 # correct SSSR count
201: ok 4281 # ring membership passed
201: ok 4282 # correct SSSR count
201: ok 4283 # ring membership passed
201: ok 4284 # correct SSSR count
201: ok 4285 # ring membership passed
201: ok 4286 # correct SSSR count
201: ok 4287 # ring membership passed
201: ok 4288 # correct SSSR count
201: ok 4289 # ring membership passed
201: ok 4290 # correct SSSR count
201: ok 4291 # ring membership passed
201: ok 4292 # correct SSSR count
201: ok 4293 # ring membership passed
201: ok 4294 # correct SSSR count
201: ok 4295 # ring membership passed
201: ok 4296 # correct SSSR count
201: ok 4297 # ring membership passed
201: ok 4298 # correct SSSR count
201: ok 4299 # ring membership passed
201: ok 4300 # correct SSSR count
201: ok 4301 # ring membership passed
201: ok 4302 # correct ring bond data
201: ok 4303 # correct ring bond data
201: ok 4304 # correct ring bond data
201: ok 4305 # correct ring bond data
201: ok 4306 # correct ring bond data
201: ok 4307 # correct ring bond data
201: ok 4308 # correct ring bond data
201: ok 4309 # correct ring bond data
201: ok 4310 # correct ring bond data
201: ok 4311 # correct ring bond data
201: ok 4312 # correct ring bond data
201: ok 4313 # correct ring bond data
201: ok 4314 # correct ring bond data
201: ok 4315 # correct ring bond data
201: ok 4316 # correct ring bond data
201: ok 4317 # correct ring bond data
201: ok 4318 # correct ring bond data
201: ok 4319 # correct ring bond data
201: ok 4320 # correct ring bond data
201: ok 4321 # SSSR size matches reference
201: ok 4322 # correct SSSR count
201: ok 4323 # ring membership passed
201: ok 4324 # correct SSSR count
201: ok 4325 # ring membership passed
201: ok 4326 # correct SSSR count
201: ok 4327 # ring membership passed
201: ok 4328 # correct SSSR count
201: ok 4329 # ring membership passed
201: ok 4330 # correct SSSR count
201: ok 4331 # ring membership passed
201: ok 4332 # correct SSSR count
201: ok 4333 # ring membership passed
201: ok 4334 # correct SSSR count
201: ok 4335 # ring membership passed
201: ok 4336 # correct SSSR count
201: ok 4337 # ring membership passed
201: ok 4338 # correct SSSR count
201: ok 4339 # ring membership passed
201: ok 4340 # correct SSSR count
201: ok 4341 # ring membership passed
201: ok 4342 # correct SSSR count
201: ok 4343 # ring membership passed
201: ok 4344 # correct SSSR count
201: ok 4345 # ring membership passed
201: ok 4346 # correct SSSR count
201: ok 4347 # ring membership passed
201: ok 4348 # correct SSSR count
201: ok 4349 # ring membership passed
201: ok 4350 # correct SSSR count
201: ok 4351 # ring membership passed
201: ok 4352 # correct SSSR count
201: ok 4353 # ring membership passed
201: ok 4354 # correct SSSR count
201: ok 4355 # ring membership passed
201: ok 4356 # correct SSSR count
201: ok 4357 # ring membership passed
201: ok 4358 # correct ring bond data
201: ok 4359 # correct ring bond data
201: ok 4360 # correct ring bond data
201: ok 4361 # correct ring bond data
201: ok 4362 # correct ring bond data
201: ok 4363 # correct ring bond data
201: ok 4364 # correct ring bond data
201: ok 4365 # correct ring bond data
201: ok 4366 # correct ring bond data
201: ok 4367 # correct ring bond data
201: ok 4368 # correct ring bond data
201: ok 4369 # correct ring bond data
201: ok 4370 # correct ring bond data
201: ok 4371 # correct ring bond data
201: ok 4372 # correct ring bond data
201: ok 4373 # correct ring bond data
201: ok 4374 # correct ring bond data
201: ok 4375 # correct ring bond data
201: ok 4376 # correct ring bond data
201: ok 4377 # correct ring bond data
201: ok 4378 # SSSR size matches reference
201: ok 4379 # correct SSSR count
201: ok 4380 # ring membership passed
201: ok 4381 # correct SSSR count
201: ok 4382 # ring membership passed
201: ok 4383 # correct SSSR count
201: ok 4384 # ring membership passed
201: ok 4385 # correct SSSR count
201: ok 4386 # ring membership passed
201: ok 4387 # correct SSSR count
201: ok 4388 # ring membership passed
201: ok 4389 # correct SSSR count
201: ok 4390 # ring membership passed
201: ok 4391 # correct SSSR count
201: ok 4392 # ring membership passed
201: ok 4393 # correct SSSR count
201: ok 4394 # ring membership passed
201: ok 4395 # correct SSSR count
201: ok 4396 # ring membership passed
201: ok 4397 # correct SSSR count
201: ok 4398 # ring membership passed
201: ok 4399 # correct SSSR count
201: ok 4400 # ring membership passed
201: ok 4401 # correct SSSR count
201: ok 4402 # ring membership passed
201: ok 4403 # correct SSSR count
201: ok 4404 # ring membership passed
201: ok 4405 # correct SSSR count
201: ok 4406 # ring membership passed
201: ok 4407 # correct SSSR count
201: ok 4408 # ring membership passed
201: ok 4409 # correct SSSR count
201: ok 4410 # ring membership passed
201: ok 4411 # correct SSSR count
201: ok 4412 # ring membership passed
201: ok 4413 # correct SSSR count
201: ok 4414 # ring membership passed
201: ok 4415 # correct SSSR count
201: ok 4416 # ring membership passed
201: ok 4417 # correct ring bond data
201: ok 4418 # correct ring bond data
201: ok 4419 # correct ring bond data
201: ok 4420 # correct ring bond data
201: ok 4421 # correct ring bond data
201: ok 4422 # correct ring bond data
201: ok 4423 # correct ring bond data
201: ok 4424 # correct ring bond data
201: ok 4425 # correct ring bond data
201: ok 4426 # correct ring bond data
201: ok 4427 # correct ring bond data
201: ok 4428 # correct ring bond data
201: ok 4429 # correct ring bond data
201: ok 4430 # correct ring bond data
201: ok 4431 # correct ring bond data
201: ok 4432 # correct ring bond data
201: ok 4433 # correct ring bond data
201: ok 4434 # correct ring bond data
201: ok 4435 # correct ring bond data
201: ok 4436 # correct ring bond data
201: ok 4437 # SSSR size matches reference
201: ok 4438 # correct SSSR count
201: ok 4439 # ring membership passed
201: ok 4440 # correct SSSR count
201: ok 4441 # ring membership passed
201: ok 4442 # correct SSSR count
201: ok 4443 # ring membership passed
201: ok 4444 # correct SSSR count
201: ok 4445 # ring membership passed
201: ok 4446 # correct SSSR count
201: ok 4447 # ring membership passed
201: ok 4448 # correct SSSR count
201: ok 4449 # ring membership passed
201: ok 4450 # correct SSSR count
201: ok 4451 # ring membership passed
201: ok 4452 # correct SSSR count
201: ok 4453 # ring membership passed
201: ok 4454 # correct SSSR count
201: ok 4455 # ring membership passed
201: ok 4456 # correct SSSR count
201: ok 4457 # ring membership passed
201: ok 4458 # correct SSSR count
201: ok 4459 # ring membership passed
201: ok 4460 # correct SSSR count
201: ok 4461 # ring membership passed
201: ok 4462 # correct SSSR count
201: ok 4463 # ring membership passed
201: ok 4464 # correct SSSR count
201: ok 4465 # ring membership passed
201: ok 4466 # correct SSSR count
201: ok 4467 # ring membership passed
201: ok 4468 # correct SSSR count
201: ok 4469 # ring membership passed
201: ok 4470 # correct SSSR count
201: ok 4471 # ring membership passed
201: ok 4472 # correct SSSR count
201: ok 4473 # ring membership passed
201: ok 4474 # correct SSSR count
201: ok 4475 # ring membership passed
201: ok 4476 # correct ring bond data
201: ok 4477 # correct ring bond data
201: ok 4478 # correct ring bond data
201: ok 4479 # correct ring bond data
201: ok 4480 # correct ring bond data
201: ok 4481 # correct ring bond data
201: ok 4482 # correct ring bond data
201: ok 4483 # correct ring bond data
201: ok 4484 # correct ring bond data
201: ok 4485 # correct ring bond data
201: ok 4486 # correct ring bond data
201: ok 4487 # correct ring bond data
201: ok 4488 # correct ring bond data
201: ok 4489 # correct ring bond data
201: ok 4490 # correct ring bond data
201: ok 4491 # correct ring bond data
201: ok 4492 # correct ring bond data
201: ok 4493 # correct ring bond data
201: ok 4494 # correct ring bond data
201: ok 4495 # correct ring bond data
201: ok 4496 # correct ring bond data
201: ok 4497 # SSSR size matches reference
201: ok 4498 # correct SSSR count
201: ok 4499 # ring membership passed
201: ok 4500 # correct SSSR count
201: ok 4501 # ring membership passed
201: ok 4502 # correct SSSR count
201: ok 4503 # ring membership passed
201: ok 4504 # correct SSSR count
201: ok 4505 # ring membership passed
201: ok 4506 # correct SSSR count
201: ok 4507 # ring membership passed
201: ok 4508 # correct SSSR count
201: ok 4509 # ring membership passed
201: ok 4510 # correct SSSR count
201: ok 4511 # ring membership passed
201: ok 4512 # correct SSSR count
201: ok 4513 # ring membership passed
201: ok 4514 # correct SSSR count
201: ok 4515 # ring membership passed
201: ok 4516 # correct SSSR count
201: ok 4517 # ring membership passed
201: ok 4518 # correct SSSR count
201: ok 4519 # ring membership passed
201: ok 4520 # correct SSSR count
201: ok 4521 # ring membership passed
201: ok 4522 # correct SSSR count
201: ok 4523 # ring membership passed
201: ok 4524 # correct SSSR count
201: ok 4525 # ring membership passed
201: ok 4526 # correct SSSR count
201: ok 4527 # ring membership passed
201: ok 4528 # correct SSSR count
201: ok 4529 # ring membership passed
201: ok 4530 # correct SSSR count
201: ok 4531 # ring membership passed
201: ok 4532 # correct SSSR count
201: ok 4533 # ring membership passed
201: ok 4534 # correct SSSR count
201: ok 4535 # ring membership passed
201: ok 4536 # correct SSSR count
201: ok 4537 # ring membership passed
201: ok 4538 # correct ring bond data
201: ok 4539 # correct ring bond data
201: ok 4540 # correct ring bond data
201: ok 4541 # correct ring bond data
201: ok 4542 # correct ring bond data
201: ok 4543 # correct ring bond data
201: ok 4544 # correct ring bond data
201: ok 4545 # correct ring bond data
201: ok 4546 # correct ring bond data
201: ok 4547 # correct ring bond data
201: ok 4548 # correct ring bond data
201: ok 4549 # correct ring bond data
201: ok 4550 # correct ring bond data
201: ok 4551 # correct ring bond data
201: ok 4552 # correct ring bond data
201: ok 4553 # correct ring bond data
201: ok 4554 # correct ring bond data
201: ok 4555 # correct ring bond data
201: ok 4556 # correct ring bond data
201: ok 4557 # correct ring bond data
201: ok 4558 # correct ring bond data
201: ok 4559 # SSSR size matches reference
201: ok 4560 # correct SSSR count
201: ok 4561 # ring membership passed
201: ok 4562 # correct SSSR count
201: ok 4563 # ring membership passed
201: ok 4564 # correct SSSR count
201: ok 4565 # ring membership passed
201: ok 4566 # correct SSSR count
201: ok 4567 # ring membership passed
201: ok 4568 # correct SSSR count
201: ok 4569 # ring membership passed
201: ok 4570 # correct SSSR count
201: ok 4571 # ring membership passed
201: ok 4572 # correct SSSR count
201: ok 4573 # ring membership passed
201: ok 4574 # correct SSSR count
201: ok 4575 # ring membership passed
201: ok 4576 # correct SSSR count
201: ok 4577 # ring membership passed
201: ok 4578 # correct SSSR count
201: ok 4579 # ring membership passed
201: ok 4580 # correct SSSR count
201: ok 4581 # ring membership passed
201: ok 4582 # correct SSSR count
201: ok 4583 # ring membership passed
201: ok 4584 # correct SSSR count
201: ok 4585 # ring membership passed
201: ok 4586 # correct SSSR count
201: ok 4587 # ring membership passed
201: ok 4588 # correct SSSR count
201: ok 4589 # ring membership passed
201: ok 4590 # correct SSSR count
201: ok 4591 # ring membership passed
201: ok 4592 # correct SSSR count
201: ok 4593 # ring membership passed
201: ok 4594 # correct SSSR count
201: ok 4595 # ring membership passed
201: ok 4596 # correct SSSR count
201: ok 4597 # ring membership passed
201: ok 4598 # correct SSSR count
201: ok 4599 # ring membership passed
201: ok 4600 # correct ring bond data
201: ok 4601 # correct ring bond data
201: ok 4602 # correct ring bond data
201: ok 4603 # correct ring bond data
201: ok 4604 # correct ring bond data
201: ok 4605 # correct ring bond data
201: ok 4606 # correct ring bond data
201: ok 4607 # correct ring bond data
201: ok 4608 # correct ring bond data
201: ok 4609 # correct ring bond data
201: ok 4610 # correct ring bond data
201: ok 4611 # correct ring bond data
201: ok 4612 # correct ring bond data
201: ok 4613 # correct ring bond data
201: ok 4614 # correct ring bond data
201: ok 4615 # correct ring bond data
201: ok 4616 # correct ring bond data
201: ok 4617 # correct ring bond data
201: ok 4618 # correct ring bond data
201: ok 4619 # correct ring bond data
201: ok 4620 # correct ring bond data
201: ok 4621 # SSSR size matches reference
201: ok 4622 # correct SSSR count
201: ok 4623 # ring membership passed
201: ok 4624 # correct SSSR count
201: ok 4625 # ring membership passed
201: ok 4626 # correct SSSR count
201: ok 4627 # ring membership passed
201: ok 4628 # correct SSSR count
201: ok 4629 # ring membership passed
201: ok 4630 # correct SSSR count
201: ok 4631 # ring membership passed
201: ok 4632 # correct SSSR count
201: ok 4633 # ring membership passed
201: ok 4634 # correct SSSR count
201: ok 4635 # ring membership passed
201: ok 4636 # correct SSSR count
201: ok 4637 # ring membership passed
201: ok 4638 # correct SSSR count
201: ok 4639 # ring membership passed
201: ok 4640 # correct SSSR count
201: ok 4641 # ring membership passed
201: ok 4642 # correct SSSR count
201: ok 4643 # ring membership passed
201: ok 4644 # correct SSSR count
201: ok 4645 # ring membership passed
201: ok 4646 # correct SSSR count
201: ok 4647 # ring membership passed
201: ok 4648 # correct SSSR count
201: ok 4649 # ring membership passed
201: ok 4650 # correct SSSR count
201: ok 4651 # ring membership passed
201: ok 4652 # correct SSSR count
201: ok 4653 # ring membership passed
201: ok 4654 # correct SSSR count
201: ok 4655 # ring membership passed
201: ok 4656 # correct SSSR count
201: ok 4657 # ring membership passed
201: ok 4658 # correct SSSR count
201: ok 4659 # ring membership passed
201: ok 4660 # correct SSSR count
201: ok 4661 # ring membership passed
201: ok 4662 # correct ring bond data
201: ok 4663 # correct ring bond data
201: ok 4664 # correct ring bond data
201: ok 4665 # correct ring bond data
201: ok 4666 # correct ring bond data
201: ok 4667 # correct ring bond data
201: ok 4668 # correct ring bond data
201: ok 4669 # correct ring bond data
201: ok 4670 # correct ring bond data
201: ok 4671 # correct ring bond data
201: ok 4672 # correct ring bond data
201: ok 4673 # correct ring bond data
201: ok 4674 # correct ring bond data
201: ok 4675 # correct ring bond data
201: ok 4676 # correct ring bond data
201: ok 4677 # SSSR size matches reference
201: ok 4678 # correct SSSR count
201: ok 4679 # ring membership passed
201: ok 4680 # correct SSSR count
201: ok 4681 # ring membership passed
201: ok 4682 # correct SSSR count
201: ok 4683 # ring membership passed
201: ok 4684 # correct SSSR count
201: ok 4685 # ring membership passed
201: ok 4686 # correct SSSR count
201: ok 4687 # ring membership passed
201: ok 4688 # correct SSSR count
201: ok 4689 # ring membership passed
201: ok 4690 # correct SSSR count
201: ok 4691 # ring membership passed
201: ok 4692 # correct SSSR count
201: ok 4693 # ring membership passed
201: ok 4694 # correct SSSR count
201: ok 4695 # ring membership passed
201: ok 4696 # correct SSSR count
201: ok 4697 # ring membership passed
201: ok 4698 # correct SSSR count
201: ok 4699 # ring membership passed
201: ok 4700 # correct SSSR count
201: ok 4701 # ring membership passed
201: ok 4702 # correct SSSR count
201: ok 4703 # ring membership passed
201: ok 4704 # correct SSSR count
201: ok 4705 # ring membership passed
201: ok 4706 # correct ring bond data
201: ok 4707 # correct ring bond data
201: ok 4708 # correct ring bond data
201: ok 4709 # correct ring bond data
201: ok 4710 # correct ring bond data
201: ok 4711 # correct ring bond data
201: ok 4712 # correct ring bond data
201: ok 4713 # correct ring bond data
201: ok 4714 # correct ring bond data
201: ok 4715 # correct ring bond data
201: ok 4716 # correct ring bond data
201: ok 4717 # correct ring bond data
201: ok 4718 # correct ring bond data
201: ok 4719 # correct ring bond data
201: ok 4720 # correct ring bond data
201: ok 4721 # correct ring bond data
201: ok 4722 # correct ring bond data
201: ok 4723 # correct ring bond data
201: ok 4724 # SSSR size matches reference
201: ok 4725 # correct SSSR count
201: ok 4726 # ring membership passed
201: ok 4727 # correct SSSR count
201: ok 4728 # ring membership passed
201: ok 4729 # correct SSSR count
201: ok 4730 # ring membership passed
201: ok 4731 # correct SSSR count
201: ok 4732 # ring membership passed
201: ok 4733 # correct SSSR count
201: ok 4734 # ring membership passed
201: ok 4735 # correct SSSR count
201: ok 4736 # ring membership passed
201: ok 4737 # correct SSSR count
201: ok 4738 # ring membership passed
201: ok 4739 # correct SSSR count
201: ok 4740 # ring membership passed
201: ok 4741 # correct SSSR count
201: ok 4742 # ring membership passed
201: ok 4743 # correct SSSR count
201: ok 4744 # ring membership passed
201: ok 4745 # correct SSSR count
201: ok 4746 # ring membership passed
201: ok 4747 # correct SSSR count
201: ok 4748 # ring membership passed
201: ok 4749 # correct SSSR count
201: ok 4750 # ring membership passed
201: ok 4751 # correct SSSR count
201: ok 4752 # ring membership passed
201: ok 4753 # correct SSSR count
201: ok 4754 # ring membership passed
201: ok 4755 # correct SSSR count
201: ok 4756 # ring membership passed
201: ok 4757 # correct SSSR count
201: ok 4758 # ring membership passed
201: ok 4759 # correct ring bond data
201: ok 4760 # correct ring bond data
201: ok 4761 # correct ring bond data
201: ok 4762 # correct ring bond data
201: ok 4763 # correct ring bond data
201: ok 4764 # correct ring bond data
201: ok 4765 # correct ring bond data
201: ok 4766 # correct ring bond data
201: ok 4767 # correct ring bond data
201: ok 4768 # correct ring bond data
201: ok 4769 # correct ring bond data
201: ok 4770 # correct ring bond data
201: ok 4771 # correct ring bond data
201: ok 4772 # correct ring bond data
201: ok 4773 # correct ring bond data
201: ok 4774 # correct ring bond data
201: ok 4775 # correct ring bond data
201: ok 4776 # correct ring bond data
201: ok 4777 # SSSR size matches reference
201: ok 4778 # correct SSSR count
201: ok 4779 # ring membership passed
201: ok 4780 # correct SSSR count
201: ok 4781 # ring membership passed
201: ok 4782 # correct SSSR count
201: ok 4783 # ring membership passed
201: ok 4784 # correct SSSR count
201: ok 4785 # ring membership passed
201: ok 4786 # correct SSSR count
201: ok 4787 # ring membership passed
201: ok 4788 # correct SSSR count
201: ok 4789 # ring membership passed
201: ok 4790 # correct SSSR count
201: ok 4791 # ring membership passed
201: ok 4792 # correct SSSR count
201: ok 4793 # ring membership passed
201: ok 4794 # correct SSSR count
201: ok 4795 # ring membership passed
201: ok 4796 # correct SSSR count
201: ok 4797 # ring membership passed
201: ok 4798 # correct SSSR count
201: ok 4799 # ring membership passed
201: ok 4800 # correct SSSR count
201: ok 4801 # ring membership passed
201: ok 4802 # correct SSSR count
201: ok 4803 # ring membership passed
201: ok 4804 # correct SSSR count
201: ok 4805 # ring membership passed
201: ok 4806 # correct SSSR count
201: ok 4807 # ring membership passed
201: ok 4808 # correct SSSR count
201: ok 4809 # ring membership passed
201: ok 4810 # correct SSSR count
201: ok 4811 # ring membership passed
201: ok 4812 # correct ring bond data
201: ok 4813 # correct ring bond data
201: ok 4814 # correct ring bond data
201: ok 4815 # correct ring bond data
201: ok 4816 # correct ring bond data
201: ok 4817 # correct ring bond data
201: ok 4818 # correct ring bond data
201: ok 4819 # correct ring bond data
201: ok 4820 # correct ring bond data
201: ok 4821 # correct ring bond data
201: ok 4822 # correct ring bond data
201: ok 4823 # correct ring bond data
201: ok 4824 # correct ring bond data
201: ok 4825 # correct ring bond data
201: ok 4826 # correct ring bond data
201: ok 4827 # correct ring bond data
201: ok 4828 # correct ring bond data
201: ok 4829 # correct ring bond data
201: ok 4830 # correct ring bond data
201: ok 4831 # correct ring bond data
201: ok 4832 # SSSR size matches reference
201: ok 4833 # correct SSSR count
201: ok 4834 # ring membership passed
201: ok 4835 # correct SSSR count
201: ok 4836 # ring membership passed
201: ok 4837 # correct SSSR count
201: ok 4838 # ring membership passed
201: ok 4839 # correct SSSR count
201: ok 4840 # ring membership passed
201: ok 4841 # correct SSSR count
201: ok 4842 # ring membership passed
201: ok 4843 # correct SSSR count
201: ok 4844 # ring membership passed
201: ok 4845 # correct SSSR count
201: ok 4846 # ring membership passed
201: ok 4847 # correct SSSR count
201: ok 4848 # ring membership passed
201: ok 4849 # correct SSSR count
201: ok 4850 # ring membership passed
201: ok 4851 # correct SSSR count
201: ok 4852 # ring membership passed
201: ok 4853 # correct SSSR count
201: ok 4854 # ring membership passed
201: ok 4855 # correct SSSR count
201: ok 4856 # ring membership passed
201: ok 4857 # correct SSSR count
201: ok 4858 # ring membership passed
201: ok 4859 # correct SSSR count
201: ok 4860 # ring membership passed
201: ok 4861 # correct SSSR count
201: ok 4862 # ring membership passed
201: ok 4863 # correct SSSR count
201: ok 4864 # ring membership passed
201: ok 4865 # correct SSSR count
201: ok 4866 # ring membership passed
201: ok 4867 # correct SSSR count
201: ok 4868 # ring membership passed
201: ok 4869 # correct SSSR count
201: ok 4870 # ring membership passed
201: ok 4871 # correct ring bond data
201: ok 4872 # correct ring bond data
201: ok 4873 # correct ring bond data
201: ok 4874 # correct ring bond data
201: ok 4875 # correct ring bond data
201: ok 4876 # correct ring bond data
201: ok 4877 # correct ring bond data
201: ok 4878 # correct ring bond data
201: ok 4879 # correct ring bond data
201: ok 4880 # correct ring bond data
201: ok 4881 # correct ring bond data
201: ok 4882 # correct ring bond data
201: ok 4883 # correct ring bond data
201: ok 4884 # correct ring bond data
201: ok 4885 # correct ring bond data
201: ok 4886 # correct ring bond data
201: ok 4887 # correct ring bond data
201: ok 4888 # correct ring bond data
201: ok 4889 # correct ring bond data
201: ok 4890 # correct ring bond data
201: ok 4891 # correct ring bond data
201: ok 4892 # SSSR size matches reference
201: ok 4893 # correct SSSR count
201: ok 4894 # ring membership passed
201: ok 4895 # correct SSSR count
201: ok 4896 # ring membership passed
201: ok 4897 # correct SSSR count
201: ok 4898 # ring membership passed
201: ok 4899 # correct SSSR count
201: ok 4900 # ring membership passed
201: ok 4901 # correct SSSR count
201: ok 4902 # ring membership passed
201: ok 4903 # correct SSSR count
201: ok 4904 # ring membership passed
201: ok 4905 # correct SSSR count
201: ok 4906 # ring membership passed
201: ok 4907 # correct SSSR count
201: ok 4908 # ring membership passed
201: ok 4909 # correct SSSR count
201: ok 4910 # ring membership passed
201: ok 4911 # correct SSSR count
201: ok 4912 # ring membership passed
201: ok 4913 # correct SSSR count
201: ok 4914 # ring membership passed
201: ok 4915 # correct SSSR count
201: ok 4916 # ring membership passed
201: ok 4917 # correct SSSR count
201: ok 4918 # ring membership passed
201: ok 4919 # correct SSSR count
201: ok 4920 # ring membership passed
201: ok 4921 # correct SSSR count
201: ok 4922 # ring membership passed
201: ok 4923 # correct SSSR count
201: ok 4924 # ring membership passed
201: ok 4925 # correct SSSR count
201: ok 4926 # ring membership passed
201: ok 4927 # correct SSSR count
201: ok 4928 # ring membership passed
201: ok 4929 # correct SSSR count
201: ok 4930 # ring membership passed
201: ok 4931 # correct SSSR count
201: ok 4932 # ring membership passed
201: ok 4933 # correct ring bond data
201: ok 4934 # correct ring bond data
201: ok 4935 # correct ring bond data
201: ok 4936 # correct ring bond data
201: ok 4937 # correct ring bond data
201: ok 4938 # correct ring bond data
201: ok 4939 # correct ring bond data
201: ok 4940 # correct ring bond data
201: ok 4941 # correct ring bond data
201: ok 4942 # correct ring bond data
201: ok 4943 # correct ring bond data
201: ok 4944 # correct ring bond data
201: ok 4945 # correct ring bond data
201: ok 4946 # correct ring bond data
201: ok 4947 # correct ring bond data
201: ok 4948 # correct ring bond data
201: ok 4949 # correct ring bond data
201: ok 4950 # correct ring bond data
201: ok 4951 # correct ring bond data
201: ok 4952 # SSSR size matches reference
201: ok 4953 # correct SSSR count
201: ok 4954 # ring membership passed
201: ok 4955 # correct SSSR count
201: ok 4956 # ring membership passed
201: ok 4957 # correct SSSR count
201: ok 4958 # ring membership passed
201: ok 4959 # correct SSSR count
201: ok 4960 # ring membership passed
201: ok 4961 # correct SSSR count
201: ok 4962 # ring membership passed
201: ok 4963 # correct SSSR count
201: ok 4964 # ring membership passed
201: ok 4965 # correct SSSR count
201: ok 4966 # ring membership passed
201: ok 4967 # correct SSSR count
201: ok 4968 # ring membership passed
201: ok 4969 # correct SSSR count
201: ok 4970 # ring membership passed
201: ok 4971 # correct SSSR count
201: ok 4972 # ring membership passed
201: ok 4973 # correct SSSR count
201: ok 4974 # ring membership passed
201: ok 4975 # correct SSSR count
201: ok 4976 # ring membership passed
201: ok 4977 # correct SSSR count
201: ok 4978 # ring membership passed
201: ok 4979 # correct SSSR count
201: ok 4980 # ring membership passed
201: ok 4981 # correct SSSR count
201: ok 4982 # ring membership passed
201: ok 4983 # correct SSSR count
201: ok 4984 # ring membership passed
201: ok 4985 # correct SSSR count
201: ok 4986 # ring membership passed
201: ok 4987 # correct SSSR count
201: ok 4988 # ring membership passed
201: ok 4989 # correct ring bond data
201: ok 4990 # correct ring bond data
201: ok 4991 # correct ring bond data
201: ok 4992 # correct ring bond data
201: ok 4993 # correct ring bond data
201: ok 4994 # correct ring bond data
201: ok 4995 # correct ring bond data
201: ok 4996 # correct ring bond data
201: ok 4997 # correct ring bond data
201: ok 4998 # correct ring bond data
201: ok 4999 # correct ring bond data
201: ok 5000 # correct ring bond data
201: ok 5001 # correct ring bond data
201: ok 5002 # correct ring bond data
201: ok 5003 # correct ring bond data
201: ok 5004 # correct ring bond data
201: ok 5005 # correct ring bond data
201: ok 5006 # correct ring bond data
201: ok 5007 # correct ring bond data
201: ok 5008 # SSSR size matches reference
201: ok 5009 # correct SSSR count
201: ok 5010 # ring membership passed
201: ok 5011 # correct SSSR count
201: ok 5012 # ring membership passed
201: ok 5013 # correct SSSR count
201: ok 5014 # ring membership passed
201: ok 5015 # correct SSSR count
201: ok 5016 # ring membership passed
201: ok 5017 # correct SSSR count
201: ok 5018 # ring membership passed
201: ok 5019 # correct SSSR count
201: ok 5020 # ring membership passed
201: ok 5021 # correct SSSR count
201: ok 5022 # ring membership passed
201: ok 5023 # correct SSSR count
201: ok 5024 # ring membership passed
201: ok 5025 # correct SSSR count
201: ok 5026 # ring membership passed
201: ok 5027 # correct SSSR count
201: ok 5028 # ring membership passed
201: ok 5029 # correct SSSR count
201: ok 5030 # ring membership passed
201: ok 5031 # correct SSSR count
201: ok 5032 # ring membership passed
201: ok 5033 # correct SSSR count
201: ok 5034 # ring membership passed
201: ok 5035 # correct SSSR count
201: ok 5036 # ring membership passed
201: ok 5037 # correct SSSR count
201: ok 5038 # ring membership passed
201: ok 5039 # correct SSSR count
201: ok 5040 # ring membership passed
201: ok 5041 # correct SSSR count
201: ok 5042 # ring membership passed
201: ok 5043 # correct SSSR count
201: ok 5044 # ring membership passed
201: ok 5045 # correct ring bond data
201: ok 5046 # correct ring bond data
201: ok 5047 # correct ring bond data
201: ok 5048 # correct ring bond data
201: ok 5049 # correct ring bond data
201: ok 5050 # correct ring bond data
201: ok 5051 # correct ring bond data
201: ok 5052 # correct ring bond data
201: ok 5053 # correct ring bond data
201: ok 5054 # correct ring bond data
201: ok 5055 # correct ring bond data
201: ok 5056 # correct ring bond data
201: ok 5057 # correct ring bond data
201: ok 5058 # correct ring bond data
201: ok 5059 # correct ring bond data
201: ok 5060 # correct ring bond data
201: ok 5061 # correct ring bond data
201: ok 5062 # correct ring bond data
201: ok 5063 # correct ring bond data
201: ok 5064 # correct ring bond data
201: ok 5065 # SSSR size matches reference
201: ok 5066 # correct SSSR count
201: ok 5067 # ring membership passed
201: ok 5068 # correct SSSR count
201: ok 5069 # ring membership passed
201: ok 5070 # correct SSSR count
201: ok 5071 # ring membership passed
201: ok 5072 # correct SSSR count
201: ok 5073 # ring membership passed
201: ok 5074 # correct SSSR count
201: ok 5075 # ring membership passed
201: ok 5076 # correct SSSR count
201: ok 5077 # ring membership passed
201: ok 5078 # correct SSSR count
201: ok 5079 # ring membership passed
201: ok 5080 # correct SSSR count
201: ok 5081 # ring membership passed
201: ok 5082 # correct SSSR count
201: ok 5083 # ring membership passed
201: ok 5084 # correct SSSR count
201: ok 5085 # ring membership passed
201: ok 5086 # correct SSSR count
201: ok 5087 # ring membership passed
201: ok 5088 # correct SSSR count
201: ok 5089 # ring membership passed
201: ok 5090 # correct SSSR count
201: ok 5091 # ring membership passed
201: ok 5092 # correct SSSR count
201: ok 5093 # ring membership passed
201: ok 5094 # correct SSSR count
201: ok 5095 # ring membership passed
201: ok 5096 # correct SSSR count
201: ok 5097 # ring membership passed
201: ok 5098 # correct SSSR count
201: ok 5099 # ring membership passed
201: ok 5100 # correct SSSR count
201: ok 5101 # ring membership passed
201: ok 5102 # correct SSSR count
201: ok 5103 # ring membership passed
201: ok 5104 # correct ring bond data
201: ok 5105 # correct ring bond data
201: ok 5106 # correct ring bond data
201: ok 5107 # correct ring bond data
201: ok 5108 # correct ring bond data
201: ok 5109 # correct ring bond data
201: ok 5110 # correct ring bond data
201: ok 5111 # correct ring bond data
201: ok 5112 # correct ring bond data
201: ok 5113 # correct ring bond data
201: ok 5114 # correct ring bond data
201: ok 5115 # correct ring bond data
201: ok 5116 # correct ring bond data
201: ok 5117 # correct ring bond data
201: ok 5118 # correct ring bond data
201: ok 5119 # correct ring bond data
201: ok 5120 # correct ring bond data
201: ok 5121 # correct ring bond data
201: ok 5122 # correct ring bond data
201: ok 5123 # SSSR size matches reference
201: ok 5124 # correct SSSR count
201: ok 5125 # ring membership passed
201: ok 5126 # correct SSSR count
201: ok 5127 # ring membership passed
201: ok 5128 # correct SSSR count
201: ok 5129 # ring membership passed
201: ok 5130 # correct SSSR count
201: ok 5131 # ring membership passed
201: ok 5132 # correct SSSR count
201: ok 5133 # ring membership passed
201: ok 5134 # correct SSSR count
201: ok 5135 # ring membership passed
201: ok 5136 # correct SSSR count
201: ok 5137 # ring membership passed
201: ok 5138 # correct SSSR count
201: ok 5139 # ring membership passed
201: ok 5140 # correct SSSR count
201: ok 5141 # ring membership passed
201: ok 5142 # correct SSSR count
201: ok 5143 # ring membership passed
201: ok 5144 # correct SSSR count
201: ok 5145 # ring membership passed
201: ok 5146 # correct SSSR count
201: ok 5147 # ring membership passed
201: ok 5148 # correct SSSR count
201: ok 5149 # ring membership passed
201: ok 5150 # correct SSSR count
201: ok 5151 # ring membership passed
201: ok 5152 # correct SSSR count
201: ok 5153 # ring membership passed
201: ok 5154 # correct SSSR count
201: ok 5155 # ring membership passed
201: ok 5156 # correct SSSR count
201: ok 5157 # ring membership passed
201: ok 5158 # correct SSSR count
201: ok 5159 # ring membership passed
201: ok 5160 # correct ring bond data
201: ok 5161 # correct ring bond data
201: ok 5162 # correct ring bond data
201: ok 5163 # correct ring bond data
201: ok 5164 # correct ring bond data
201: ok 5165 # correct ring bond data
201: ok 5166 # correct ring bond data
201: ok 5167 # correct ring bond data
201: ok 5168 # correct ring bond data
201: ok 5169 # correct ring bond data
201: ok 5170 # correct ring bond data
201: ok 5171 # correct ring bond data
201: ok 5172 # correct ring bond data
201: ok 5173 # correct ring bond data
201: ok 5174 # correct ring bond data
201: ok 5175 # correct ring bond data
201: ok 5176 # correct ring bond data
201: ok 5177 # correct ring bond data
201: ok 5178 # correct ring bond data
201: ok 5179 # correct ring bond data
201: ok 5180 # correct ring bond data
201: ok 5181 # SSSR size matches reference
201: ok 5182 # correct SSSR count
201: ok 5183 # ring membership passed
201: ok 5184 # correct SSSR count
201: ok 5185 # ring membership passed
201: ok 5186 # correct SSSR count
201: ok 5187 # ring membership passed
201: ok 5188 # correct SSSR count
201: ok 5189 # ring membership passed
201: ok 5190 # correct SSSR count
201: ok 5191 # ring membership passed
201: ok 5192 # correct SSSR count
201: ok 5193 # ring membership passed
201: ok 5194 # correct SSSR count
201: ok 5195 # ring membership passed
201: ok 5196 # correct SSSR count
201: ok 5197 # ring membership passed
201: ok 5198 # correct SSSR count
201: ok 5199 # ring membership passed
201: ok 5200 # correct SSSR count
201: ok 5201 # ring membership passed
201: ok 5202 # correct SSSR count
201: ok 5203 # ring membership passed
201: ok 5204 # correct SSSR count
201: ok 5205 # ring membership passed
201: ok 5206 # correct SSSR count
201: ok 5207 # ring membership passed
201: ok 5208 # correct SSSR count
201: ok 5209 # ring membership passed
201: ok 5210 # correct SSSR count
201: ok 5211 # ring membership passed
201: ok 5212 # correct SSSR count
201: ok 5213 # ring membership passed
201: ok 5214 # correct SSSR count
201: ok 5215 # ring membership passed
201: ok 5216 # correct SSSR count
201: ok 5217 # ring membership passed
201: ok 5218 # correct SSSR count
201: ok 5219 # ring membership passed
201: ok 5220 # correct SSSR count
201: ok 5221 # ring membership passed
201: ok 5222 # correct ring bond data
201: ok 5223 # correct ring bond data
201: ok 5224 # correct ring bond data
201: ok 5225 # correct ring bond data
201: ok 5226 # correct ring bond data
201: ok 5227 # correct ring bond data
201: ok 5228 # correct ring bond data
201: ok 5229 # correct ring bond data
201: ok 5230 # correct ring bond data
201: ok 5231 # correct ring bond data
201: ok 5232 # correct ring bond data
201: ok 5233 # correct ring bond data
201: ok 5234 # SSSR size matches reference
201: ok 5235 # correct SSSR count
201: ok 5236 # ring membership passed
201: ok 5237 # correct SSSR count
201: ok 5238 # ring membership passed
201: ok 5239 # correct SSSR count
201: ok 5240 # ring membership passed
201: ok 5241 # correct SSSR count
201: ok 5242 # ring membership passed
201: ok 5243 # correct SSSR count
201: ok 5244 # ring membership passed
201: ok 5245 # correct SSSR count
201: ok 5246 # ring membership passed
201: ok 5247 # correct SSSR count
201: ok 5248 # ring membership passed
201: ok 5249 # correct SSSR count
201: ok 5250 # ring membership passed
201: ok 5251 # correct SSSR count
201: ok 5252 # ring membership passed
201: ok 5253 # correct SSSR count
201: ok 5254 # ring membership passed
201: ok 5255 # correct SSSR count
201: ok 5256 # ring membership passed
201: ok 5257 # correct SSSR count
201: ok 5258 # ring membership passed
201: ok 5259 # correct ring bond data
201: ok 5260 # correct ring bond data
201: ok 5261 # correct ring bond data
201: ok 5262 # correct ring bond data
201: ok 5263 # correct ring bond data
201: ok 5264 # correct ring bond data
201: ok 5265 # correct ring bond data
201: ok 5266 # correct ring bond data
201: ok 5267 # correct ring bond data
201: ok 5268 # correct ring bond data
201: ok 5269 # correct ring bond data
201: ok 5270 # correct ring bond data
201: ok 5271 # SSSR size matches reference
201: ok 5272 # correct SSSR count
201: ok 5273 # ring membership passed
201: ok 5274 # correct SSSR count
201: ok 5275 # ring membership passed
201: ok 5276 # correct SSSR count
201: ok 5277 # ring membership passed
201: ok 5278 # correct SSSR count
201: ok 5279 # ring membership passed
201: ok 5280 # correct SSSR count
201: ok 5281 # ring membership passed
201: ok 5282 # correct SSSR count
201: ok 5283 # ring membership passed
201: ok 5284 # correct SSSR count
201: ok 5285 # ring membership passed
201: ok 5286 # correct SSSR count
201: ok 5287 # ring membership passed
201: ok 5288 # correct SSSR count
201: ok 5289 # ring membership passed
201: ok 5290 # correct SSSR count
201: ok 5291 # ring membership passed
201: ok 5292 # correct SSSR count
201: ok 5293 # ring membership passed
201: ok 5294 # correct SSSR count
201: ok 5295 # ring membership passed
201: ok 5296 # correct ring bond data
201: ok 5297 # correct ring bond data
201: ok 5298 # correct ring bond data
201: ok 5299 # correct ring bond data
201: ok 5300 # correct ring bond data
201: ok 5301 # correct ring bond data
201: ok 5302 # correct ring bond data
201: ok 5303 # correct ring bond data
201: ok 5304 # correct ring bond data
201: ok 5305 # correct ring bond data
201: ok 5306 # correct ring bond data
201: ok 5307 # correct ring bond data
201: ok 5308 # correct ring bond data
201: ok 5309 # correct ring bond data
201: ok 5310 # correct ring bond data
201: ok 5311 # correct ring bond data
201: ok 5312 # correct ring bond data
201: ok 5313 # correct ring bond data
201: ok 5314 # correct ring bond data
201: ok 5315 # correct ring bond data
201: ok 5316 # correct ring bond data
201: ok 5317 # SSSR size matches reference
201: ok 5318 # correct SSSR count
201: ok 5319 # ring membership passed
201: ok 5320 # correct SSSR count
201: ok 5321 # ring membership passed
201: ok 5322 # correct SSSR count
201: ok 5323 # ring membership passed
201: ok 5324 # correct SSSR count
201: ok 5325 # ring membership passed
201: ok 5326 # correct SSSR count
201: ok 5327 # ring membership passed
201: ok 5328 # correct SSSR count
201: ok 5329 # ring membership passed
201: ok 5330 # correct SSSR count
201: ok 5331 # ring membership passed
201: ok 5332 # correct SSSR count
201: ok 5333 # ring membership passed
201: ok 5334 # correct SSSR count
201: ok 5335 # ring membership passed
201: ok 5336 # correct SSSR count
201: ok 5337 # ring membership passed
201: ok 5338 # correct SSSR count
201: ok 5339 # ring membership passed
201: ok 5340 # correct SSSR count
201: ok 5341 # ring membership passed
201: ok 5342 # correct SSSR count
201: ok 5343 # ring membership passed
201: ok 5344 # correct SSSR count
201: ok 5345 # ring membership passed
201: ok 5346 # correct SSSR count
201: ok 5347 # ring membership passed
201: ok 5348 # correct SSSR count
201: ok 5349 # ring membership passed
201: ok 5350 # correct SSSR count
201: ok 5351 # ring membership passed
201: ok 5352 # correct SSSR count
201: ok 5353 # ring membership passed
201: ok 5354 # correct SSSR count
201: ok 5355 # ring membership passed
201: ok 5356 # correct SSSR count
201: ok 5357 # ring membership passed
201: ok 5358 # correct ring bond data
201: ok 5359 # correct ring bond data
201: ok 5360 # correct ring bond data
201: ok 5361 # correct ring bond data
201: ok 5362 # correct ring bond data
201: ok 5363 # correct ring bond data
201: ok 5364 # correct ring bond data
201: ok 5365 # correct ring bond data
201: ok 5366 # correct ring bond data
201: ok 5367 # correct ring bond data
201: ok 5368 # correct ring bond data
201: ok 5369 # correct ring bond data
201: ok 5370 # correct ring bond data
201: ok 5371 # correct ring bond data
201: ok 5372 # correct ring bond data
201: ok 5373 # correct ring bond data
201: ok 5374 # correct ring bond data
201: ok 5375 # correct ring bond data
201: ok 5376 # correct ring bond data
201: ok 5377 # correct ring bond data
201: ok 5378 # correct ring bond data
201: ok 5379 # SSSR size matches reference
201: ok 5380 # correct SSSR count
201: ok 5381 # ring membership passed
201: ok 5382 # correct SSSR count
201: ok 5383 # ring membership passed
201: ok 5384 # correct SSSR count
201: ok 5385 # ring membership passed
201: ok 5386 # correct SSSR count
201: ok 5387 # ring membership passed
201: ok 5388 # correct SSSR count
201: ok 5389 # ring membership passed
201: ok 5390 # correct SSSR count
201: ok 5391 # ring membership passed
201: ok 5392 # correct SSSR count
201: ok 5393 # ring membership passed
201: ok 5394 # correct SSSR count
201: ok 5395 # ring membership passed
201: ok 5396 # correct SSSR count
201: ok 5397 # ring membership passed
201: ok 5398 # correct SSSR count
201: ok 5399 # ring membership passed
201: ok 5400 # correct SSSR count
201: ok 5401 # ring membership passed
201: ok 5402 # correct SSSR count
201: ok 5403 # ring membership passed
201: ok 5404 # correct SSSR count
201: ok 5405 # ring membership passed
201: ok 5406 # correct SSSR count
201: ok 5407 # ring membership passed
201: ok 5408 # correct SSSR count
201: ok 5409 # ring membership passed
201: ok 5410 # correct SSSR count
201: ok 5411 # ring membership passed
201: ok 5412 # correct SSSR count
201: ok 5413 # ring membership passed
201: ok 5414 # correct SSSR count
201: ok 5415 # ring membership passed
201: ok 5416 # correct SSSR count
201: ok 5417 # ring membership passed
201: ok 5418 # correct SSSR count
201: ok 5419 # ring membership passed
201: ok 5420 # correct ring bond data
201: ok 5421 # correct ring bond data
201: ok 5422 # correct ring bond data
201: ok 5423 # correct ring bond data
201: ok 5424 # correct ring bond data
201: ok 5425 # correct ring bond data
201: ok 5426 # correct ring bond data
201: ok 5427 # correct ring bond data
201: ok 5428 # correct ring bond data
201: ok 5429 # correct ring bond data
201: ok 5430 # correct ring bond data
201: ok 5431 # correct ring bond data
201: ok 5432 # correct ring bond data
201: ok 5433 # correct ring bond data
201: ok 5434 # correct ring bond data
201: ok 5435 # SSSR size matches reference
201: ok 5436 # correct SSSR count
201: ok 5437 # ring membership passed
201: ok 5438 # correct SSSR count
201: ok 5439 # ring membership passed
201: ok 5440 # correct SSSR count
201: ok 5441 # ring membership passed
201: ok 5442 # correct SSSR count
201: ok 5443 # ring membership passed
201: ok 5444 # correct SSSR count
201: ok 5445 # ring membership passed
201: ok 5446 # correct SSSR count
201: ok 5447 # ring membership passed
201: ok 5448 # correct SSSR count
201: ok 5449 # ring membership passed
201: ok 5450 # correct SSSR count
201: ok 5451 # ring membership passed
201: ok 5452 # correct SSSR count
201: ok 5453 # ring membership passed
201: ok 5454 # correct SSSR count
201: ok 5455 # ring membership passed
201: ok 5456 # correct SSSR count
201: ok 5457 # ring membership passed
201: ok 5458 # correct SSSR count
201: ok 5459 # ring membership passed
201: ok 5460 # correct SSSR count
201: ok 5461 # ring membership passed
201: ok 5462 # correct SSSR count
201: ok 5463 # ring membership passed
201: ok 5464 # correct SSSR count
201: ok 5465 # ring membership passed
201: ok 5466 # correct ring bond data
201: ok 5467 # correct ring bond data
201: ok 5468 # correct ring bond data
201: ok 5469 # correct ring bond data
201: ok 5470 # correct ring bond data
201: ok 5471 # correct ring bond data
201: ok 5472 # correct ring bond data
201: ok 5473 # correct ring bond data
201: ok 5474 # correct ring bond data
201: ok 5475 # correct ring bond data
201: ok 5476 # correct ring bond data
201: ok 5477 # correct ring bond data
201: ok 5478 # correct ring bond data
201: ok 5479 # correct ring bond data
201: ok 5480 # correct ring bond data
201: ok 5481 # correct ring bond data
201: ok 5482 # correct ring bond data
201: ok 5483 # correct ring bond data
201: ok 5484 # correct ring bond data
201: ok 5485 # SSSR size matches reference
201: ok 5486 # correct SSSR count
201: ok 5487 # ring membership passed
201: ok 5488 # correct SSSR count
201: ok 5489 # ring membership passed
201: ok 5490 # correct SSSR count
201: ok 5491 # ring membership passed
201: ok 5492 # correct SSSR count
201: ok 5493 # ring membership passed
201: ok 5494 # correct SSSR count
201: ok 5495 # ring membership passed
201: ok 5496 # correct SSSR count
201: ok 5497 # ring membership passed
201: ok 5498 # correct SSSR count
201: ok 5499 # ring membership passed
201: ok 5500 # correct SSSR count
201: ok 5501 # ring membership passed
201: ok 5502 # correct SSSR count
201: ok 5503 # ring membership passed
201: ok 5504 # correct SSSR count
201: ok 5505 # ring membership passed
201: ok 5506 # correct SSSR count
201: ok 5507 # ring membership passed
201: ok 5508 # correct SSSR count
201: ok 5509 # ring membership passed
201: ok 5510 # correct SSSR count
201: ok 5511 # ring membership passed
201: ok 5512 # correct SSSR count
201: ok 5513 # ring membership passed
201: ok 5514 # correct SSSR count
201: ok 5515 # ring membership passed
201: ok 5516 # correct SSSR count
201: ok 5517 # ring membership passed
201: ok 5518 # correct SSSR count
201: ok 5519 # ring membership passed
201: ok 5520 # correct SSSR count
201: ok 5521 # ring membership passed
201: ok 5522 # correct SSSR count
201: ok 5523 # ring membership passed
201: ok 5524 # correct ring bond data
201: ok 5525 # correct ring bond data
201: ok 5526 # correct ring bond data
201: ok 5527 # correct ring bond data
201: ok 5528 # correct ring bond data
201: ok 5529 # correct ring bond data
201: ok 5530 # correct ring bond data
201: ok 5531 # correct ring bond data
201: ok 5532 # correct ring bond data
201: ok 5533 # correct ring bond data
201: ok 5534 # correct ring bond data
201: ok 5535 # correct ring bond data
201: ok 5536 # correct ring bond data
201: ok 5537 # correct ring bond data
201: ok 5538 # correct ring bond data
201: ok 5539 # correct ring bond data
201: ok 5540 # correct ring bond data
201: ok 5541 # correct ring bond data
201: ok 5542 # correct ring bond data
201: ok 5543 # correct ring bond data
201: ok 5544 # SSSR size matches reference
201: ok 5545 # correct SSSR count
201: ok 5546 # ring membership passed
201: ok 5547 # correct SSSR count
201: ok 5548 # ring membership passed
201: ok 5549 # correct SSSR count
201: ok 5550 # ring membership passed
201: ok 5551 # correct SSSR count
201: ok 5552 # ring membership passed
201: ok 5553 # correct SSSR count
201: ok 5554 # ring membership passed
201: ok 5555 # correct SSSR count
201: ok 5556 # ring membership passed
201: ok 5557 # correct SSSR count
201: ok 5558 # ring membership passed
201: ok 5559 # correct SSSR count
201: ok 5560 # ring membership passed
201: ok 5561 # correct SSSR count
201: ok 5562 # ring membership passed
201: ok 5563 # correct SSSR count
201: ok 5564 # ring membership passed
201: ok 5565 # correct SSSR count
201: ok 5566 # ring membership passed
201: ok 5567 # correct SSSR count
201: ok 5568 # ring membership passed
201: ok 5569 # correct SSSR count
201: ok 5570 # ring membership passed
201: ok 5571 # correct SSSR count
201: ok 5572 # ring membership passed
201: ok 5573 # correct SSSR count
201: ok 5574 # ring membership passed
201: ok 5575 # correct SSSR count
201: ok 5576 # ring membership passed
201: ok 5577 # correct SSSR count
201: ok 5578 # ring membership passed
201: ok 5579 # correct SSSR count
201: ok 5580 # ring membership passed
201: ok 5581 # correct SSSR count
201: ok 5582 # ring membership passed
201: ok 5583 # correct SSSR count
201: ok 5584 # ring membership passed
201: ok 5585 # correct ring bond data
201: ok 5586 # correct ring bond data
201: ok 5587 # correct ring bond data
201: ok 5588 # correct ring bond data
201: ok 5589 # correct ring bond data
201: ok 5590 # correct ring bond data
201: ok 5591 # correct ring bond data
201: ok 5592 # correct ring bond data
201: ok 5593 # correct ring bond data
201: ok 5594 # correct ring bond data
201: ok 5595 # correct ring bond data
201: ok 5596 # correct ring bond data
201: ok 5597 # correct ring bond data
201: ok 5598 # correct ring bond data
201: ok 5599 # correct ring bond data
201: ok 5600 # correct ring bond data
201: ok 5601 # correct ring bond data
201: ok 5602 # correct ring bond data
201: ok 5603 # correct ring bond data
201: ok 5604 # correct ring bond data
201: ok 5605 # correct ring bond data
201: ok 5606 # SSSR size matches reference
201: ok 5607 # correct SSSR count
201: ok 5608 # ring membership passed
201: ok 5609 # correct SSSR count
201: ok 5610 # ring membership passed
201: ok 5611 # correct SSSR count
201: ok 5612 # ring membership passed
201: ok 5613 # correct SSSR count
201: ok 5614 # ring membership passed
201: ok 5615 # correct SSSR count
201: ok 5616 # ring membership passed
201: ok 5617 # correct SSSR count
201: ok 5618 # ring membership passed
201: ok 5619 # correct SSSR count
201: ok 5620 # ring membership passed
201: ok 5621 # correct SSSR count
201: ok 5622 # ring membership passed
201: ok 5623 # correct SSSR count
201: ok 5624 # ring membership passed
201: ok 5625 # correct SSSR count
201: ok 5626 # ring membership passed
201: ok 5627 # correct SSSR count
201: ok 5628 # ring membership passed
201: ok 5629 # correct SSSR count
201: ok 5630 # ring membership passed
201: ok 5631 # correct SSSR count
201: ok 5632 # ring membership passed
201: ok 5633 # correct SSSR count
201: ok 5634 # ring membership passed
201: ok 5635 # correct SSSR count
201: ok 5636 # ring membership passed
201: ok 5637 # correct SSSR count
201: ok 5638 # ring membership passed
201: ok 5639 # correct SSSR count
201: ok 5640 # ring membership passed
201: ok 5641 # correct SSSR count
201: ok 5642 # ring membership passed
201: ok 5643 # correct SSSR count
201: ok 5644 # ring membership passed
201: ok 5645 # correct SSSR count
201: ok 5646 # ring membership passed
201: ok 5647 # correct SSSR count
201: ok 5648 # ring membership passed
201: ok 5649 # correct ring bond data
201: ok 5650 # correct ring bond data
201: ok 5651 # correct ring bond data
201: ok 5652 # correct ring bond data
201: ok 5653 # correct ring bond data
201: ok 5654 # correct ring bond data
201: ok 5655 # correct ring bond data
201: ok 5656 # correct ring bond data
201: ok 5657 # correct ring bond data
201: ok 5658 # correct ring bond data
201: ok 5659 # correct ring bond data
201: ok 5660 # correct ring bond data
201: ok 5661 # correct ring bond data
201: ok 5662 # correct ring bond data
201: ok 5663 # correct ring bond data
201: ok 5664 # correct ring bond data
201: ok 5665 # correct ring bond data
201: ok 5666 # correct ring bond data
201: ok 5667 # correct ring bond data
201: ok 5668 # SSSR size matches reference
201: ok 5669 # correct SSSR count
201: ok 5670 # ring membership passed
201: ok 5671 # correct SSSR count
201: ok 5672 # ring membership passed
201: ok 5673 # correct SSSR count
201: ok 5674 # ring membership passed
201: ok 5675 # correct SSSR count
201: ok 5676 # ring membership passed
201: ok 5677 # correct SSSR count
201: ok 5678 # ring membership passed
201: ok 5679 # correct SSSR count
201: ok 5680 # ring membership passed
201: ok 5681 # correct SSSR count
201: ok 5682 # ring membership passed
201: ok 5683 # correct SSSR count
201: ok 5684 # ring membership passed
201: ok 5685 # correct SSSR count
201: ok 5686 # ring membership passed
201: ok 5687 # correct SSSR count
201: ok 5688 # ring membership passed
201: ok 5689 # correct SSSR count
201: ok 5690 # ring membership passed
201: ok 5691 # correct SSSR count
201: ok 5692 # ring membership passed
201: ok 5693 # correct SSSR count
201: ok 5694 # ring membership passed
201: ok 5695 # correct SSSR count
201: ok 5696 # ring membership passed
201: ok 5697 # correct SSSR count
201: ok 5698 # ring membership passed
201: ok 5699 # correct SSSR count
201: ok 5700 # ring membership passed
201: ok 5701 # correct SSSR count
201: ok 5702 # ring membership passed
201: ok 5703 # correct SSSR count
201: ok 5704 # ring membership passed
201: ok 5705 # correct SSSR count
201: ok 5706 # ring membership passed
201: ok 5707 # correct ring bond data
201: ok 5708 # correct ring bond data
201: ok 5709 # correct ring bond data
201: ok 5710 # correct ring bond data
201: ok 5711 # correct ring bond data
201: ok 5712 # correct ring bond data
201: ok 5713 # correct ring bond data
201: ok 5714 # correct ring bond data
201: ok 5715 # correct ring bond data
201: ok 5716 # correct ring bond data
201: ok 5717 # correct ring bond data
201: ok 5718 # correct ring bond data
201: ok 5719 # correct ring bond data
201: ok 5720 # correct ring bond data
201: ok 5721 # correct ring bond data
201: ok 5722 # correct ring bond data
201: ok 5723 # correct ring bond data
201: ok 5724 # correct ring bond data
201: ok 5725 # correct ring bond data
201: ok 5726 # correct ring bond data
201: ok 5727 # correct ring bond data
201: ok 5728 # correct ring bond data
201: ok 5729 # SSSR size matches reference
201: ok 5730 # correct SSSR count
201: ok 5731 # ring membership passed
201: ok 5732 # correct SSSR count
201: ok 5733 # ring membership passed
201: ok 5734 # correct SSSR count
201: ok 5735 # ring membership passed
201: ok 5736 # correct SSSR count
201: ok 5737 # ring membership passed
201: ok 5738 # correct SSSR count
201: ok 5739 # ring membership passed
201: ok 5740 # correct SSSR count
201: ok 5741 # ring membership passed
201: ok 5742 # correct SSSR count
201: ok 5743 # ring membership passed
201: ok 5744 # correct SSSR count
201: ok 5745 # ring membership passed
201: ok 5746 # correct SSSR count
201: ok 5747 # ring membership passed
201: ok 5748 # correct SSSR count
201: ok 5749 # ring membership passed
201: ok 5750 # correct SSSR count
201: ok 5751 # ring membership passed
201: ok 5752 # correct SSSR count
201: ok 5753 # ring membership passed
201: ok 5754 # correct SSSR count
201: ok 5755 # ring membership passed
201: ok 5756 # correct SSSR count
201: ok 5757 # ring membership passed
201: ok 5758 # correct SSSR count
201: ok 5759 # ring membership passed
201: ok 5760 # correct SSSR count
201: ok 5761 # ring membership passed
201: ok 5762 # correct SSSR count
201: ok 5763 # ring membership passed
201: ok 5764 # correct SSSR count
201: ok 5765 # ring membership passed
201: ok 5766 # correct SSSR count
201: ok 5767 # ring membership passed
201: ok 5768 # correct SSSR count
201: ok 5769 # ring membership passed
201: ok 5770 # correct SSSR count
201: ok 5771 # ring membership passed
201: ok 5772 # correct SSSR count
201: ok 5773 # ring membership passed
201: ok 5774 # correct ring bond data
201: ok 5775 # correct ring bond data
201: ok 5776 # correct ring bond data
201: ok 5777 # correct ring bond data
201: ok 5778 # correct ring bond data
201: ok 5779 # correct ring bond data
201: ok 5780 # correct ring bond data
201: ok 5781 # correct ring bond data
201: ok 5782 # correct ring bond data
201: ok 5783 # correct ring bond data
201: ok 5784 # correct ring bond data
201: ok 5785 # correct ring bond data
201: ok 5786 # correct ring bond data
201: ok 5787 # correct ring bond data
201: ok 5788 # SSSR size matches reference
201: ok 5789 # correct SSSR count
201: ok 5790 # ring membership passed
201: ok 5791 # correct SSSR count
201: ok 5792 # ring membership passed
201: ok 5793 # correct SSSR count
201: ok 5794 # ring membership passed
201: ok 5795 # correct SSSR count
201: ok 5796 # ring membership passed
201: ok 5797 # correct SSSR count
201: ok 5798 # ring membership passed
201: ok 5799 # correct SSSR count
201: ok 5800 # ring membership passed
201: ok 5801 # correct SSSR count
201: ok 5802 # ring membership passed
201: ok 5803 # correct SSSR count
201: ok 5804 # ring membership passed
201: ok 5805 # correct SSSR count
201: ok 5806 # ring membership passed
201: ok 5807 # correct SSSR count
201: ok 5808 # ring membership passed
201: ok 5809 # correct SSSR count
201: ok 5810 # ring membership passed
201: ok 5811 # correct SSSR count
201: ok 5812 # ring membership passed
201: ok 5813 # correct SSSR count
201: ok 5814 # ring membership passed
201: ok 5815 # correct SSSR count
201: ok 5816 # ring membership passed
201: ok 5817 # correct ring bond data
201: ok 5818 # correct ring bond data
201: ok 5819 # correct ring bond data
201: ok 5820 # correct ring bond data
201: ok 5821 # correct ring bond data
201: ok 5822 # correct ring bond data
201: ok 5823 # correct ring bond data
201: ok 5824 # correct ring bond data
201: ok 5825 # correct ring bond data
201: ok 5826 # correct ring bond data
201: ok 5827 # correct ring bond data
201: ok 5828 # correct ring bond data
201: ok 5829 # correct ring bond data
201: ok 5830 # correct ring bond data
201: ok 5831 # correct ring bond data
201: ok 5832 # correct ring bond data
201: ok 5833 # correct ring bond data
201: ok 5834 # correct ring bond data
201: ok 5835 # correct ring bond data
201: ok 5836 # correct ring bond data
201: ok 5837 # correct ring bond data
201: ok 5838 # correct ring bond data
201: ok 5839 # correct ring bond data
201: ok 5840 # correct ring bond data
201: ok 5841 # SSSR size matches reference
201: ok 5842 # correct SSSR count
201: ok 5843 # ring membership passed
201: ok 5844 # correct SSSR count
201: ok 5845 # ring membership passed
201: ok 5846 # correct SSSR count
201: ok 5847 # ring membership passed
201: ok 5848 # correct SSSR count
201: ok 5849 # ring membership passed
201: ok 5850 # correct SSSR count
201: ok 5851 # ring membership passed
201: ok 5852 # correct SSSR count
201: ok 5853 # ring membership passed
201: ok 5854 # correct SSSR count
201: ok 5855 # ring membership passed
201: ok 5856 # correct SSSR count
201: ok 5857 # ring membership passed
201: ok 5858 # correct SSSR count
201: ok 5859 # ring membership passed
201: ok 5860 # correct SSSR count
201: ok 5861 # ring membership passed
201: ok 5862 # correct SSSR count
201: ok 5863 # ring membership passed
201: ok 5864 # correct SSSR count
201: ok 5865 # ring membership passed
201: ok 5866 # correct SSSR count
201: ok 5867 # ring membership passed
201: ok 5868 # correct SSSR count
201: ok 5869 # ring membership passed
201: ok 5870 # correct SSSR count
201: ok 5871 # ring membership passed
201: ok 5872 # correct SSSR count
201: ok 5873 # ring membership passed
201: ok 5874 # correct SSSR count
201: ok 5875 # ring membership passed
201: ok 5876 # correct SSSR count
201: ok 5877 # ring membership passed
201: ok 5878 # correct SSSR count
201: ok 5879 # ring membership passed
201: ok 5880 # correct SSSR count
201: ok 5881 # ring membership passed
201: ok 5882 # correct SSSR count
201: ok 5883 # ring membership passed
201: ok 5884 # correct SSSR count
201: ok 5885 # ring membership passed
201: ok 5886 # correct SSSR count
201: ok 5887 # ring membership passed
201: ok 5888 # correct ring bond data
201: ok 5889 # correct ring bond data
201: ok 5890 # correct ring bond data
201: ok 5891 # correct ring bond data
201: ok 5892 # correct ring bond data
201: ok 5893 # correct ring bond data
201: ok 5894 # correct ring bond data
201: ok 5895 # correct ring bond data
201: ok 5896 # correct ring bond data
201: ok 5897 # correct ring bond data
201: ok 5898 # correct ring bond data
201: ok 5899 # correct ring bond data
201: ok 5900 # correct ring bond data
201: ok 5901 # correct ring bond data
201: ok 5902 # correct ring bond data
201: ok 5903 # correct ring bond data
201: ok 5904 # correct ring bond data
201: ok 5905 # correct ring bond data
201: ok 5906 # correct ring bond data
201: ok 5907 # SSSR size matches reference
201: ok 5908 # correct SSSR count
201: ok 5909 # ring membership passed
201: ok 5910 # correct SSSR count
201: ok 5911 # ring membership passed
201: ok 5912 # correct SSSR count
201: ok 5913 # ring membership passed
201: ok 5914 # correct SSSR count
201: ok 5915 # ring membership passed
201: ok 5916 # correct SSSR count
201: ok 5917 # ring membership passed
201: ok 5918 # correct SSSR count
201: ok 5919 # ring membership passed
201: ok 5920 # correct SSSR count
201: ok 5921 # ring membership passed
201: ok 5922 # correct SSSR count
201: ok 5923 # ring membership passed
201: ok 5924 # correct SSSR count
201: ok 5925 # ring membership passed
201: ok 5926 # correct SSSR count
201: ok 5927 # ring membership passed
201: ok 5928 # correct SSSR count
201: ok 5929 # ring membership passed
201: ok 5930 # correct SSSR count
201: ok 5931 # ring membership passed
201: ok 5932 # correct SSSR count
201: ok 5933 # ring membership passed
201: ok 5934 # correct SSSR count
201: ok 5935 # ring membership passed
201: ok 5936 # correct SSSR count
201: ok 5937 # ring membership passed
201: ok 5938 # correct SSSR count
201: ok 5939 # ring membership passed
201: ok 5940 # correct SSSR count
201: ok 5941 # ring membership passed
201: ok 5942 # correct SSSR count
201: ok 5943 # ring membership passed
201: ok 5944 # correct ring bond data
201: ok 5945 # correct ring bond data
201: ok 5946 # correct ring bond data
201: ok 5947 # correct ring bond data
201: ok 5948 # correct ring bond data
201: ok 5949 # correct ring bond data
201: ok 5950 # correct ring bond data
201: ok 5951 # correct ring bond data
201: ok 5952 # correct ring bond data
201: ok 5953 # correct ring bond data
201: ok 5954 # correct ring bond data
201: ok 5955 # correct ring bond data
201: ok 5956 # correct ring bond data
201: ok 5957 # correct ring bond data
201: ok 5958 # correct ring bond data
201: ok 5959 # correct ring bond data
201: ok 5960 # correct ring bond data
201: ok 5961 # correct ring bond data
201: ok 5962 # correct ring bond data
201: ok 5963 # correct ring bond data
201: ok 5964 # SSSR size matches reference
201: ok 5965 # correct SSSR count
201: ok 5966 # ring membership passed
201: ok 5967 # correct SSSR count
201: ok 5968 # ring membership passed
201: ok 5969 # correct SSSR count
201: ok 5970 # ring membership passed
201: ok 5971 # correct SSSR count
201: ok 5972 # ring membership passed
201: ok 5973 # correct SSSR count
201: ok 5974 # ring membership passed
201: ok 5975 # correct SSSR count
201: ok 5976 # ring membership passed
201: ok 5977 # correct SSSR count
201: ok 5978 # ring membership passed
201: ok 5979 # correct SSSR count
201: ok 5980 # ring membership passed
201: ok 5981 # correct SSSR count
201: ok 5982 # ring membership passed
201: ok 5983 # correct SSSR count
201: ok 5984 # ring membership passed
201: ok 5985 # correct SSSR count
201: ok 5986 # ring membership passed
201: ok 5987 # correct SSSR count
201: ok 5988 # ring membership passed
201: ok 5989 # correct SSSR count
201: ok 5990 # ring membership passed
201: ok 5991 # correct SSSR count
201: ok 5992 # ring membership passed
201: ok 5993 # correct SSSR count
201: ok 5994 # ring membership passed
201: ok 5995 # correct SSSR count
201: ok 5996 # ring membership passed
201: ok 5997 # correct SSSR count
201: ok 5998 # ring membership passed
201: ok 5999 # correct SSSR count
201: ok 6000 # ring membership passed
201: ok 6001 # correct ring bond data
201: ok 6002 # correct ring bond data
201: ok 6003 # correct ring bond data
201: ok 6004 # correct ring bond data
201: ok 6005 # correct ring bond data
201: ok 6006 # correct ring bond data
201: ok 6007 # correct ring bond data
201: ok 6008 # correct ring bond data
201: ok 6009 # correct ring bond data
201: ok 6010 # correct ring bond data
201: ok 6011 # correct ring bond data
201: ok 6012 # correct ring bond data
201: ok 6013 # correct ring bond data
201: ok 6014 # correct ring bond data
201: ok 6015 # correct ring bond data
201: ok 6016 # correct ring bond data
201: ok 6017 # correct ring bond data
201: ok 6018 # correct ring bond data
201: ok 6019 # correct ring bond data
201: ok 6020 # correct ring bond data
201: ok 6021 # correct ring bond data
201: ok 6022 # SSSR size matches reference
201: ok 6023 # correct SSSR count
201: ok 6024 # ring membership passed
201: ok 6025 # correct SSSR count
201: ok 6026 # ring membership passed
201: ok 6027 # correct SSSR count
201: ok 6028 # ring membership passed
201: ok 6029 # correct SSSR count
201: ok 6030 # ring membership passed
201: ok 6031 # correct SSSR count
201: ok 6032 # ring membership passed
201: ok 6033 # correct SSSR count
201: ok 6034 # ring membership passed
201: ok 6035 # correct SSSR count
201: ok 6036 # ring membership passed
201: ok 6037 # correct SSSR count
201: ok 6038 # ring membership passed
201: ok 6039 # correct SSSR count
201: ok 6040 # ring membership passed
201: ok 6041 # correct SSSR count
201: ok 6042 # ring membership passed
201: ok 6043 # correct SSSR count
201: ok 6044 # ring membership passed
201: ok 6045 # correct SSSR count
201: ok 6046 # ring membership passed
201: ok 6047 # correct SSSR count
201: ok 6048 # ring membership passed
201: ok 6049 # correct SSSR count
201: ok 6050 # ring membership passed
201: ok 6051 # correct SSSR count
201: ok 6052 # ring membership passed
201: ok 6053 # correct SSSR count
201: ok 6054 # ring membership passed
201: ok 6055 # correct SSSR count
201: ok 6056 # ring membership passed
201: ok 6057 # correct SSSR count
201: ok 6058 # ring membership passed
201: ok 6059 # correct SSSR count
201: ok 6060 # ring membership passed
201: ok 6061 # correct ring bond data
201: ok 6062 # correct ring bond data
201: ok 6063 # correct ring bond data
201: ok 6064 # correct ring bond data
201: ok 6065 # correct ring bond data
201: ok 6066 # correct ring bond data
201: ok 6067 # correct ring bond data
201: ok 6068 # correct ring bond data
201: ok 6069 # correct ring bond data
201: ok 6070 # correct ring bond data
201: ok 6071 # correct ring bond data
201: ok 6072 # correct ring bond data
201: ok 6073 # correct ring bond data
201: ok 6074 # correct ring bond data
201: ok 6075 # SSSR size matches reference
201: ok 6076 # correct SSSR count
201: ok 6077 # ring membership passed
201: ok 6078 # correct SSSR count
201: ok 6079 # ring membership passed
201: ok 6080 # correct SSSR count
201: ok 6081 # ring membership passed
201: ok 6082 # correct SSSR count
201: ok 6083 # ring membership passed
201: ok 6084 # correct SSSR count
201: ok 6085 # ring membership passed
201: ok 6086 # correct SSSR count
201: ok 6087 # ring membership passed
201: ok 6088 # correct SSSR count
201: ok 6089 # ring membership passed
201: ok 6090 # correct SSSR count
201: ok 6091 # ring membership passed
201: ok 6092 # correct SSSR count
201: ok 6093 # ring membership passed
201: ok 6094 # correct SSSR count
201: ok 6095 # ring membership passed
201: ok 6096 # correct SSSR count
201: ok 6097 # ring membership passed
201: ok 6098 # correct SSSR count
201: ok 6099 # ring membership passed
201: ok 6100 # correct SSSR count
201: ok 6101 # ring membership passed
201: ok 6102 # correct SSSR count
201: ok 6103 # ring membership passed
201: ok 6104 # correct ring bond data
201: ok 6105 # correct ring bond data
201: ok 6106 # correct ring bond data
201: ok 6107 # correct ring bond data
201: ok 6108 # correct ring bond data
201: ok 6109 # correct ring bond data
201: ok 6110 # correct ring bond data
201: ok 6111 # correct ring bond data
201: ok 6112 # correct ring bond data
201: ok 6113 # correct ring bond data
201: ok 6114 # correct ring bond data
201: ok 6115 # correct ring bond data
201: ok 6116 # correct ring bond data
201: ok 6117 # correct ring bond data
201: ok 6118 # SSSR size matches reference
201: ok 6119 # correct SSSR count
201: ok 6120 # ring membership passed
201: ok 6121 # correct SSSR count
201: ok 6122 # ring membership passed
201: ok 6123 # correct SSSR count
201: ok 6124 # ring membership passed
201: ok 6125 # correct SSSR count
201: ok 6126 # ring membership passed
201: ok 6127 # correct SSSR count
201: ok 6128 # ring membership passed
201: ok 6129 # correct SSSR count
201: ok 6130 # ring membership passed
201: ok 6131 # correct SSSR count
201: ok 6132 # ring membership passed
201: ok 6133 # correct SSSR count
201: ok 6134 # ring membership passed
201: ok 6135 # correct SSSR count
201: ok 6136 # ring membership passed
201: ok 6137 # correct SSSR count
201: ok 6138 # ring membership passed
201: ok 6139 # correct SSSR count
201: ok 6140 # ring membership passed
201: ok 6141 # correct SSSR count
201: ok 6142 # ring membership passed
201: ok 6143 # correct SSSR count
201: ok 6144 # ring membership passed
201: ok 6145 # correct SSSR count
201: ok 6146 # ring membership passed
201: ok 6147 # correct ring bond data
201: ok 6148 # correct ring bond data
201: ok 6149 # correct ring bond data
201: ok 6150 # correct ring bond data
201: ok 6151 # correct ring bond data
201: ok 6152 # correct ring bond data
201: ok 6153 # correct ring bond data
201: ok 6154 # correct ring bond data
201: ok 6155 # correct ring bond data
201: ok 6156 # correct ring bond data
201: ok 6157 # correct ring bond data
201: ok 6158 # correct ring bond data
201: ok 6159 # correct ring bond data
201: ok 6160 # correct ring bond data
201: ok 6161 # SSSR size matches reference
201: ok 6162 # correct SSSR count
201: ok 6163 # ring membership passed
201: ok 6164 # correct SSSR count
201: ok 6165 # ring membership passed
201: ok 6166 # correct SSSR count
201: ok 6167 # ring membership passed
201: ok 6168 # correct SSSR count
201: ok 6169 # ring membership passed
201: ok 6170 # correct SSSR count
201: ok 6171 # ring membership passed
201: ok 6172 # correct SSSR count
201: ok 6173 # ring membership passed
201: ok 6174 # correct SSSR count
201: ok 6175 # ring membership passed
201: ok 6176 # correct SSSR count
201: ok 6177 # ring membership passed
201: ok 6178 # correct SSSR count
201: ok 6179 # ring membership passed
201: ok 6180 # correct SSSR count
201: ok 6181 # ring membership passed
201: ok 6182 # correct SSSR count
201: ok 6183 # ring membership passed
201: ok 6184 # correct SSSR count
201: ok 6185 # ring membership passed
201: ok 6186 # correct SSSR count
201: ok 6187 # ring membership passed
201: ok 6188 # correct SSSR count
201: ok 6189 # ring membership passed
201: ok 6190 # correct ring bond data
201: ok 6191 # correct ring bond data
201: ok 6192 # correct ring bond data
201: ok 6193 # correct ring bond data
201: ok 6194 # correct ring bond data
201: ok 6195 # correct ring bond data
201: ok 6196 # correct ring bond data
201: ok 6197 # correct ring bond data
201: ok 6198 # correct ring bond data
201: ok 6199 # correct ring bond data
201: ok 6200 # correct ring bond data
201: ok 6201 # correct ring bond data
201: ok 6202 # SSSR size matches reference
201: ok 6203 # correct SSSR count
201: ok 6204 # ring membership passed
201: ok 6205 # correct SSSR count
201: ok 6206 # ring membership passed
201: ok 6207 # correct SSSR count
201: ok 6208 # ring membership passed
201: ok 6209 # correct SSSR count
201: ok 6210 # ring membership passed
201: ok 6211 # correct SSSR count
201: ok 6212 # ring membership passed
201: ok 6213 # correct SSSR count
201: ok 6214 # ring membership passed
201: ok 6215 # correct SSSR count
201: ok 6216 # ring membership passed
201: ok 6217 # correct SSSR count
201: ok 6218 # ring membership passed
201: ok 6219 # correct SSSR count
201: ok 6220 # ring membership passed
201: ok 6221 # correct SSSR count
201: ok 6222 # ring membership passed
201: ok 6223 # correct SSSR count
201: ok 6224 # ring membership passed
201: ok 6225 # correct SSSR count
201: ok 6226 # ring membership passed
201: ok 6227 # correct ring bond data
201: ok 6228 # correct ring bond data
201: ok 6229 # correct ring bond data
201: ok 6230 # correct ring bond data
201: ok 6231 # correct ring bond data
201: ok 6232 # correct ring bond data
201: ok 6233 # correct ring bond data
201: ok 6234 # correct ring bond data
201: ok 6235 # correct ring bond data
201: ok 6236 # correct ring bond data
201: ok 6237 # correct ring bond data
201: ok 6238 # correct ring bond data
201: ok 6239 # correct ring bond data
201: ok 6240 # correct ring bond data
201: ok 6241 # correct ring bond data
201: ok 6242 # correct ring bond data
201: ok 6243 # correct ring bond data
201: ok 6244 # correct ring bond data
201: ok 6245 # SSSR size matches reference
201: ok 6246 # correct SSSR count
201: ok 6247 # ring membership passed
201: ok 6248 # correct SSSR count
201: ok 6249 # ring membership passed
201: ok 6250 # correct SSSR count
201: ok 6251 # ring membership passed
201: ok 6252 # correct SSSR count
201: ok 6253 # ring membership passed
201: ok 6254 # correct SSSR count
201: ok 6255 # ring membership passed
201: ok 6256 # correct SSSR count
201: ok 6257 # ring membership passed
201: ok 6258 # correct SSSR count
201: ok 6259 # ring membership passed
201: ok 6260 # correct SSSR count
201: ok 6261 # ring membership passed
201: ok 6262 # correct SSSR count
201: ok 6263 # ring membership passed
201: ok 6264 # correct SSSR count
201: ok 6265 # ring membership passed
201: ok 6266 # correct SSSR count
201: ok 6267 # ring membership passed
201: ok 6268 # correct SSSR count
201: ok 6269 # ring membership passed
201: ok 6270 # correct SSSR count
201: ok 6271 # ring membership passed
201: ok 6272 # correct SSSR count
201: ok 6273 # ring membership passed
201: ok 6274 # correct SSSR count
201: ok 6275 # ring membership passed
201: ok 6276 # correct SSSR count
201: ok 6277 # ring membership passed
201: ok 6278 # correct SSSR count
201: ok 6279 # ring membership passed
201: ok 6280 # correct ring bond data
201: ok 6281 # correct ring bond data
201: ok 6282 # correct ring bond data
201: ok 6283 # correct ring bond data
201: ok 6284 # correct ring bond data
201: ok 6285 # correct ring bond data
201: ok 6286 # correct ring bond data
201: ok 6287 # correct ring bond data
201: ok 6288 # correct ring bond data
201: ok 6289 # correct ring bond data
201: ok 6290 # correct ring bond data
201: ok 6291 # correct ring bond data
201: ok 6292 # correct ring bond data
201: ok 6293 # correct ring bond data
201: ok 6294 # correct ring bond data
201: ok 6295 # correct ring bond data
201: ok 6296 # correct ring bond data
201: ok 6297 # correct ring bond data
201: ok 6298 # correct ring bond data
201: ok 6299 # correct ring bond data
201: ok 6300 # correct ring bond data
201: ok 6301 # correct ring bond data
201: ok 6302 # correct ring bond data
201: ok 6303 # correct ring bond data
201: ok 6304 # SSSR size matches reference
201: ok 6305 # correct SSSR count
201: ok 6306 # ring membership passed
201: ok 6307 # correct SSSR count
201: ok 6308 # ring membership passed
201: ok 6309 # correct SSSR count
201: ok 6310 # ring membership passed
201: ok 6311 # correct SSSR count
201: ok 6312 # ring membership passed
201: ok 6313 # correct SSSR count
201: ok 6314 # ring membership passed
201: ok 6315 # correct SSSR count
201: ok 6316 # ring membership passed
201: ok 6317 # correct SSSR count
201: ok 6318 # ring membership passed
201: ok 6319 # correct SSSR count
201: ok 6320 # ring membership passed
201: ok 6321 # correct SSSR count
201: ok 6322 # ring membership passed
201: ok 6323 # correct SSSR count
201: ok 6324 # ring membership passed
201: ok 6325 # correct SSSR count
201: ok 6326 # ring membership passed
201: ok 6327 # correct SSSR count
201: ok 6328 # ring membership passed
201: ok 6329 # correct SSSR count
201: ok 6330 # ring membership passed
201: ok 6331 # correct SSSR count
201: ok 6332 # ring membership passed
201: ok 6333 # correct SSSR count
201: ok 6334 # ring membership passed
201: ok 6335 # correct SSSR count
201: ok 6336 # ring membership passed
201: ok 6337 # correct SSSR count
201: ok 6338 # ring membership passed
201: ok 6339 # correct SSSR count
201: ok 6340 # ring membership passed
201: ok 6341 # correct SSSR count
201: ok 6342 # ring membership passed
201: ok 6343 # correct SSSR count
201: ok 6344 # ring membership passed
201: ok 6345 # correct SSSR count
201: ok 6346 # ring membership passed
201: ok 6347 # correct SSSR count
201: ok 6348 # ring membership passed
201: ok 6349 # correct SSSR count
201: ok 6350 # ring membership passed
201: ok 6351 # correct ring bond data
201: ok 6352 # correct ring bond data
201: ok 6353 # correct ring bond data
201: ok 6354 # correct ring bond data
201: ok 6355 # correct ring bond data
201: ok 6356 # correct ring bond data
201: ok 6357 # correct ring bond data
201: ok 6358 # correct ring bond data
201: ok 6359 # correct ring bond data
201: ok 6360 # correct ring bond data
201: ok 6361 # correct ring bond data
201: ok 6362 # correct ring bond data
201: ok 6363 # correct ring bond data
201: ok 6364 # correct ring bond data
201: ok 6365 # correct ring bond data
201: ok 6366 # correct ring bond data
201: ok 6367 # correct ring bond data
201: ok 6368 # correct ring bond data
201: ok 6369 # correct ring bond data
201: ok 6370 # correct ring bond data
201: ok 6371 # correct ring bond data
201: ok 6372 # SSSR size matches reference
201: ok 6373 # correct SSSR count
201: ok 6374 # ring membership passed
201: ok 6375 # correct SSSR count
201: ok 6376 # ring membership passed
201: ok 6377 # correct SSSR count
201: ok 6378 # ring membership passed
201: ok 6379 # correct SSSR count
201: ok 6380 # ring membership passed
201: ok 6381 # correct SSSR count
201: ok 6382 # ring membership passed
201: ok 6383 # correct SSSR count
201: ok 6384 # ring membership passed
201: ok 6385 # correct SSSR count
201: ok 6386 # ring membership passed
201: ok 6387 # correct SSSR count
201: ok 6388 # ring membership passed
201: ok 6389 # correct SSSR count
201: ok 6390 # ring membership passed
201: ok 6391 # correct SSSR count
201: ok 6392 # ring membership passed
201: ok 6393 # correct SSSR count
201: ok 6394 # ring membership passed
201: ok 6395 # correct SSSR count
201: ok 6396 # ring membership passed
201: ok 6397 # correct SSSR count
201: ok 6398 # ring membership passed
201: ok 6399 # correct SSSR count
201: ok 6400 # ring membership passed
201: ok 6401 # correct SSSR count
201: ok 6402 # ring membership passed
201: ok 6403 # correct SSSR count
201: ok 6404 # ring membership passed
201: ok 6405 # correct SSSR count
201: ok 6406 # ring membership passed
201: ok 6407 # correct SSSR count
201: ok 6408 # ring membership passed
201: ok 6409 # correct SSSR count
201: ok 6410 # ring membership passed
201: ok 6411 # correct SSSR count
201: ok 6412 # ring membership passed
201: ok 6413 # correct ring bond data
201: ok 6414 # correct ring bond data
201: ok 6415 # correct ring bond data
201: ok 6416 # correct ring bond data
201: ok 6417 # correct ring bond data
201: ok 6418 # correct ring bond data
201: ok 6419 # correct ring bond data
201: ok 6420 # correct ring bond data
201: ok 6421 # correct ring bond data
201: ok 6422 # correct ring bond data
201: ok 6423 # correct ring bond data
201: ok 6424 # correct ring bond data
201: ok 6425 # correct ring bond data
201: ok 6426 # correct ring bond data
201: ok 6427 # correct ring bond data
201: ok 6428 # correct ring bond data
201: ok 6429 # correct ring bond data
201: ok 6430 # correct ring bond data
201: ok 6431 # correct ring bond data
201: ok 6432 # correct ring bond data
201: ok 6433 # correct ring bond data
201: ok 6434 # correct ring bond data
201: ok 6435 # correct ring bond data
201: ok 6436 # correct ring bond data
201: ok 6437 # correct ring bond data
201: ok 6438 # correct ring bond data
201: ok 6439 # correct ring bond data
201: ok 6440 # SSSR size matches reference
201: ok 6441 # correct SSSR count
201: ok 6442 # ring membership passed
201: ok 6443 # correct SSSR count
201: ok 6444 # ring membership passed
201: ok 6445 # correct SSSR count
201: ok 6446 # ring membership passed
201: ok 6447 # correct SSSR count
201: ok 6448 # ring membership passed
201: ok 6449 # correct SSSR count
201: ok 6450 # ring membership passed
201: ok 6451 # correct SSSR count
201: ok 6452 # ring membership passed
201: ok 6453 # correct SSSR count
201: ok 6454 # ring membership passed
201: ok 6455 # correct SSSR count
201: ok 6456 # ring membership passed
201: ok 6457 # correct SSSR count
201: ok 6458 # ring membership passed
201: ok 6459 # correct SSSR count
201: ok 6460 # ring membership passed
201: ok 6461 # correct SSSR count
201: ok 6462 # ring membership passed
201: ok 6463 # correct SSSR count
201: ok 6464 # ring membership passed
201: ok 6465 # correct SSSR count
201: ok 6466 # ring membership passed
201: ok 6467 # correct SSSR count
201: ok 6468 # ring membership passed
201: ok 6469 # correct SSSR count
201: ok 6470 # ring membership passed
201: ok 6471 # correct SSSR count
201: ok 6472 # ring membership passed
201: ok 6473 # correct SSSR count
201: ok 6474 # ring membership passed
201: ok 6475 # correct SSSR count
201: ok 6476 # ring membership passed
201: ok 6477 # correct SSSR count
201: ok 6478 # ring membership passed
201: ok 6479 # correct SSSR count
201: ok 6480 # ring membership passed
201: ok 6481 # correct SSSR count
201: ok 6482 # ring membership passed
201: ok 6483 # correct SSSR count
201: ok 6484 # ring membership passed
201: ok 6485 # correct SSSR count
201: ok 6486 # ring membership passed
201: ok 6487 # correct SSSR count
201: ok 6488 # ring membership passed
201: ok 6489 # correct SSSR count
201: ok 6490 # ring membership passed
201: ok 6491 # correct ring bond data
201: ok 6492 # correct ring bond data
201: ok 6493 # correct ring bond data
201: ok 6494 # correct ring bond data
201: ok 6495 # correct ring bond data
201: ok 6496 # correct ring bond data
201: ok 6497 # correct ring bond data
201: ok 6498 # correct ring bond data
201: ok 6499 # correct ring bond data
201: ok 6500 # correct ring bond data
201: ok 6501 # correct ring bond data
201: ok 6502 # correct ring bond data
201: ok 6503 # correct ring bond data
201: ok 6504 # correct ring bond data
201: ok 6505 # correct ring bond data
201: ok 6506 # SSSR size matches reference
201: ok 6507 # correct SSSR count
201: ok 6508 # ring membership passed
201: ok 6509 # correct SSSR count
201: ok 6510 # ring membership passed
201: ok 6511 # correct SSSR count
201: ok 6512 # ring membership passed
201: ok 6513 # correct SSSR count
201: ok 6514 # ring membership passed
201: ok 6515 # correct SSSR count
201: ok 6516 # ring membership passed
201: ok 6517 # correct SSSR count
201: ok 6518 # ring membership passed
201: ok 6519 # correct SSSR count
201: ok 6520 # ring membership passed
201: ok 6521 # correct SSSR count
201: ok 6522 # ring membership passed
201: ok 6523 # correct SSSR count
201: ok 6524 # ring membership passed
201: ok 6525 # correct SSSR count
201: ok 6526 # ring membership passed
201: ok 6527 # correct SSSR count
201: ok 6528 # ring membership passed
201: ok 6529 # correct SSSR count
201: ok 6530 # ring membership passed
201: ok 6531 # correct SSSR count
201: ok 6532 # ring membership passed
201: ok 6533 # correct SSSR count
201: ok 6534 # ring membership passed
201: ok 6535 # correct SSSR count
201: ok 6536 # ring membership passed
201: ok 6537 # correct ring bond data
201: ok 6538 # correct ring bond data
201: ok 6539 # correct ring bond data
201: ok 6540 # correct ring bond data
201: ok 6541 # correct ring bond data
201: ok 6542 # correct ring bond data
201: ok 6543 # correct ring bond data
201: ok 6544 # correct ring bond data
201: ok 6545 # correct ring bond data
201: ok 6546 # correct ring bond data
201: ok 6547 # correct ring bond data
201: ok 6548 # correct ring bond data
201: ok 6549 # correct ring bond data
201: ok 6550 # correct ring bond data
201: ok 6551 # correct ring bond data
201: ok 6552 # correct ring bond data
201: ok 6553 # correct ring bond data
201: ok 6554 # correct ring bond data
201: ok 6555 # correct ring bond data
201: ok 6556 # correct ring bond data
201: ok 6557 # SSSR size matches reference
201: ok 6558 # correct SSSR count
201: ok 6559 # ring membership passed
201: ok 6560 # correct SSSR count
201: ok 6561 # ring membership passed
201: ok 6562 # correct SSSR count
201: ok 6563 # ring membership passed
201: ok 6564 # correct SSSR count
201: ok 6565 # ring membership passed
201: ok 6566 # correct SSSR count
201: ok 6567 # ring membership passed
201: ok 6568 # correct SSSR count
201: ok 6569 # ring membership passed
201: ok 6570 # correct SSSR count
201: ok 6571 # ring membership passed
201: ok 6572 # correct SSSR count
201: ok 6573 # ring membership passed
201: ok 6574 # correct SSSR count
201: ok 6575 # ring membership passed
201: ok 6576 # correct SSSR count
201: ok 6577 # ring membership passed
201: ok 6578 # correct SSSR count
201: ok 6579 # ring membership passed
201: ok 6580 # correct SSSR count
201: ok 6581 # ring membership passed
201: ok 6582 # correct SSSR count
201: ok 6583 # ring membership passed
201: ok 6584 # correct SSSR count
201: ok 6585 # ring membership passed
201: ok 6586 # correct SSSR count
201: ok 6587 # ring membership passed
201: ok 6588 # correct SSSR count
201: ok 6589 # ring membership passed
201: ok 6590 # correct SSSR count
201: ok 6591 # ring membership passed
201: ok 6592 # correct SSSR count
201: ok 6593 # ring membership passed
201: ok 6594 # correct SSSR count
201: ok 6595 # ring membership passed
201: ok 6596 # correct ring bond data
201: ok 6597 # correct ring bond data
201: ok 6598 # correct ring bond data
201: ok 6599 # correct ring bond data
201: ok 6600 # correct ring bond data
201: ok 6601 # correct ring bond data
201: ok 6602 # correct ring bond data
201: ok 6603 # correct ring bond data
201: ok 6604 # correct ring bond data
201: ok 6605 # correct ring bond data
201: ok 6606 # correct ring bond data
201: ok 6607 # correct ring bond data
201: ok 6608 # correct ring bond data
201: ok 6609 # correct ring bond data
201: ok 6610 # SSSR size matches reference
201: ok 6611 # correct SSSR count
201: ok 6612 # ring membership passed
201: ok 6613 # correct SSSR count
201: ok 6614 # ring membership passed
201: ok 6615 # correct SSSR count
201: ok 6616 # ring membership passed
201: ok 6617 # correct SSSR count
201: ok 6618 # ring membership passed
201: ok 6619 # correct SSSR count
201: ok 6620 # ring membership passed
201: ok 6621 # correct SSSR count
201: ok 6622 # ring membership passed
201: ok 6623 # correct SSSR count
201: ok 6624 # ring membership passed
201: ok 6625 # correct SSSR count
201: ok 6626 # ring membership passed
201: ok 6627 # correct SSSR count
201: ok 6628 # ring membership passed
201: ok 6629 # correct SSSR count
201: ok 6630 # ring membership passed
201: ok 6631 # correct SSSR count
201: ok 6632 # ring membership passed
201: ok 6633 # correct SSSR count
201: ok 6634 # ring membership passed
201: ok 6635 # correct SSSR count
201: ok 6636 # ring membership passed
201: ok 6637 # correct SSSR count
201: ok 6638 # ring membership passed
201: ok 6639 # correct ring bond data
201: ok 6640 # correct ring bond data
201: ok 6641 # correct ring bond data
201: ok 6642 # correct ring bond data
201: ok 6643 # correct ring bond data
201: ok 6644 # correct ring bond data
201: ok 6645 # correct ring bond data
201: ok 6646 # correct ring bond data
201: ok 6647 # correct ring bond data
201: ok 6648 # correct ring bond data
201: ok 6649 # correct ring bond data
201: ok 6650 # correct ring bond data
201: ok 6651 # correct ring bond data
201: ok 6652 # correct ring bond data
201: ok 6653 # SSSR size matches reference
201: ok 6654 # correct SSSR count
201: ok 6655 # ring membership passed
201: ok 6656 # correct SSSR count
201: ok 6657 # ring membership passed
201: ok 6658 # correct SSSR count
201: ok 6659 # ring membership passed
201: ok 6660 # correct SSSR count
201: ok 6661 # ring membership passed
201: ok 6662 # correct SSSR count
201: ok 6663 # ring membership passed
201: ok 6664 # correct SSSR count
201: ok 6665 # ring membership passed
201: ok 6666 # correct SSSR count
201: ok 6667 # ring membership passed
201: ok 6668 # correct SSSR count
201: ok 6669 # ring membership passed
201: ok 6670 # correct SSSR count
201: ok 6671 # ring membership passed
201: ok 6672 # correct SSSR count
201: ok 6673 # ring membership passed
201: ok 6674 # correct SSSR count
201: ok 6675 # ring membership passed
201: ok 6676 # correct SSSR count
201: ok 6677 # ring membership passed
201: ok 6678 # correct SSSR count
201: ok 6679 # ring membership passed
201: ok 6680 # correct SSSR count
201: ok 6681 # ring membership passed
201: ok 6682 # correct ring bond data
201: ok 6683 # correct ring bond data
201: ok 6684 # correct ring bond data
201: ok 6685 # correct ring bond data
201: ok 6686 # correct ring bond data
201: ok 6687 # correct ring bond data
201: ok 6688 # correct ring bond data
201: ok 6689 # correct ring bond data
201: ok 6690 # correct ring bond data
201: ok 6691 # correct ring bond data
201: ok 6692 # correct ring bond data
201: ok 6693 # correct ring bond data
201: ok 6694 # correct ring bond data
201: ok 6695 # correct ring bond data
201: ok 6696 # correct ring bond data
201: ok 6697 # correct ring bond data
201: ok 6698 # correct ring bond data
201: ok 6699 # SSSR size matches reference
201: ok 6700 # correct SSSR count
201: ok 6701 # ring membership passed
201: ok 6702 # correct SSSR count
201: ok 6703 # ring membership passed
201: ok 6704 # correct SSSR count
201: ok 6705 # ring membership passed
201: ok 6706 # correct SSSR count
201: ok 6707 # ring membership passed
201: ok 6708 # correct SSSR count
201: ok 6709 # ring membership passed
201: ok 6710 # correct SSSR count
201: ok 6711 # ring membership passed
201: ok 6712 # correct SSSR count
201: ok 6713 # ring membership passed
201: ok 6714 # correct SSSR count
201: ok 6715 # ring membership passed
201: ok 6716 # correct SSSR count
201: ok 6717 # ring membership passed
201: ok 6718 # correct SSSR count
201: ok 6719 # ring membership passed
201: ok 6720 # correct SSSR count
201: ok 6721 # ring membership passed
201: ok 6722 # correct SSSR count
201: ok 6723 # ring membership passed
201: ok 6724 # correct SSSR count
201: ok 6725 # ring membership passed
201: ok 6726 # correct SSSR count
201: ok 6727 # ring membership passed
201: ok 6728 # correct SSSR count
201: ok 6729 # ring membership passed
201: ok 6730 # correct SSSR count
201: ok 6731 # ring membership passed
201: ok 6732 # correct SSSR count
201: ok 6733 # ring membership passed
201: ok 6734 # correct ring bond data
201: ok 6735 # correct ring bond data
201: ok 6736 # correct ring bond data
201: ok 6737 # correct ring bond data
201: ok 6738 # correct ring bond data
201: ok 6739 # correct ring bond data
201: ok 6740 # correct ring bond data
201: ok 6741 # correct ring bond data
201: ok 6742 # correct ring bond data
201: ok 6743 # correct ring bond data
201: ok 6744 # correct ring bond data
201: ok 6745 # correct ring bond data
201: ok 6746 # correct ring bond data
201: ok 6747 # correct ring bond data
201: ok 6748 # correct ring bond data
201: ok 6749 # correct ring bond data
201: ok 6750 # correct ring bond data
201: ok 6751 # correct ring bond data
201: ok 6752 # correct ring bond data
201: ok 6753 # correct ring bond data
201: ok 6754 # correct ring bond data
201: ok 6755 # correct ring bond data
201: ok 6756 # correct ring bond data
201: ok 6757 # correct ring bond data
201: ok 6758 # correct ring bond data
201: ok 6759 # correct ring bond data
201: ok 6760 # correct ring bond data
201: ok 6761 # correct ring bond data
201: ok 6762 # SSSR size matches reference
201: ok 6763 # correct SSSR count
201: ok 6764 # ring membership passed
201: ok 6765 # correct SSSR count
201: ok 6766 # ring membership passed
201: ok 6767 # correct SSSR count
201: ok 6768 # ring membership passed
201: ok 6769 # correct SSSR count
201: ok 6770 # ring membership passed
201: ok 6771 # correct SSSR count
201: ok 6772 # ring membership passed
201: ok 6773 # correct SSSR count
201: ok 6774 # ring membership passed
201: ok 6775 # correct SSSR count
201: ok 6776 # ring membership passed
201: ok 6777 # correct SSSR count
201: ok 6778 # ring membership passed
201: ok 6779 # correct SSSR count
201: ok 6780 # ring membership passed
201: ok 6781 # correct SSSR count
201: ok 6782 # ring membership passed
201: ok 6783 # correct SSSR count
201: ok 6784 # ring membership passed
201: ok 6785 # correct SSSR count
201: ok 6786 # ring membership passed
201: ok 6787 # correct SSSR count
201: ok 6788 # ring membership passed
201: ok 6789 # correct SSSR count
201: ok 6790 # ring membership passed
201: ok 6791 # correct SSSR count
201: ok 6792 # ring membership passed
201: ok 6793 # correct SSSR count
201: ok 6794 # ring membership passed
201: ok 6795 # correct SSSR count
201: ok 6796 # ring membership passed
201: ok 6797 # correct SSSR count
201: ok 6798 # ring membership passed
201: ok 6799 # correct SSSR count
201: ok 6800 # ring membership passed
201: ok 6801 # correct SSSR count
201: ok 6802 # ring membership passed
201: ok 6803 # correct SSSR count
201: ok 6804 # ring membership passed
201: ok 6805 # correct SSSR count
201: ok 6806 # ring membership passed
201: ok 6807 # correct SSSR count
201: ok 6808 # ring membership passed
201: ok 6809 # correct SSSR count
201: ok 6810 # ring membership passed
201: ok 6811 # correct SSSR count
201: ok 6812 # ring membership passed
201: ok 6813 # correct SSSR count
201: ok 6814 # ring membership passed
201: ok 6815 # correct ring bond data
201: ok 6816 # correct ring bond data
201: ok 6817 # correct ring bond data
201: ok 6818 # correct ring bond data
201: ok 6819 # correct ring bond data
201: ok 6820 # correct ring bond data
201: ok 6821 # correct ring bond data
201: ok 6822 # correct ring bond data
201: ok 6823 # correct ring bond data
201: ok 6824 # correct ring bond data
201: ok 6825 # correct ring bond data
201: ok 6826 # correct ring bond data
201: ok 6827 # correct ring bond data
201: ok 6828 # correct ring bond data
201: ok 6829 # correct ring bond data
201: ok 6830 # correct ring bond data
201: ok 6831 # correct ring bond data
201: ok 6832 # correct ring bond data
201: ok 6833 # correct ring bond data
201: ok 6834 # correct ring bond data
201: ok 6835 # correct ring bond data
201: ok 6836 # correct ring bond data
201: ok 6837 # correct ring bond data
201: ok 6838 # correct ring bond data
201: ok 6839 # correct ring bond data
201: ok 6840 # correct ring bond data
201: ok 6841 # SSSR size matches reference
201: ok 6842 # correct SSSR count
201: ok 6843 # ring membership passed
201: ok 6844 # correct SSSR count
201: ok 6845 # ring membership passed
201: ok 6846 # correct SSSR count
201: ok 6847 # ring membership passed
201: ok 6848 # correct SSSR count
201: ok 6849 # ring membership passed
201: ok 6850 # correct SSSR count
201: ok 6851 # ring membership passed
201: ok 6852 # correct SSSR count
201: ok 6853 # ring membership passed
201: ok 6854 # correct SSSR count
201: ok 6855 # ring membership passed
201: ok 6856 # correct SSSR count
201: ok 6857 # ring membership passed
201: ok 6858 # correct SSSR count
201: ok 6859 # ring membership passed
201: ok 6860 # correct SSSR count
201: ok 6861 # ring membership passed
201: ok 6862 # correct SSSR count
201: ok 6863 # ring membership passed
201: ok 6864 # correct SSSR count
201: ok 6865 # ring membership passed
201: ok 6866 # correct SSSR count
201: ok 6867 # ring membership passed
201: ok 6868 # correct SSSR count
201: ok 6869 # ring membership passed
201: ok 6870 # correct SSSR count
201: ok 6871 # ring membership passed
201: ok 6872 # correct SSSR count
201: ok 6873 # ring membership passed
201: ok 6874 # correct SSSR count
201: ok 6875 # ring membership passed
201: ok 6876 # correct SSSR count
201: ok 6877 # ring membership passed
201: ok 6878 # correct SSSR count
201: ok 6879 # ring membership passed
201: ok 6880 # correct SSSR count
201: ok 6881 # ring membership passed
201: ok 6882 # correct SSSR count
201: ok 6883 # ring membership passed
201: ok 6884 # correct SSSR count
201: ok 6885 # ring membership passed
201: ok 6886 # correct SSSR count
201: ok 6887 # ring membership passed
201: ok 6888 # correct SSSR count
201: ok 6889 # ring membership passed
201: ok 6890 # correct ring bond data
201: ok 6891 # correct ring bond data
201: ok 6892 # correct ring bond data
201: ok 6893 # correct ring bond data
201: ok 6894 # correct ring bond data
201: ok 6895 # correct ring bond data
201: ok 6896 # correct ring bond data
201: ok 6897 # correct ring bond data
201: ok 6898 # correct ring bond data
201: ok 6899 # correct ring bond data
201: ok 6900 # correct ring bond data
201: ok 6901 # correct ring bond data
201: ok 6902 # correct ring bond data
201: ok 6903 # correct ring bond data
201: ok 6904 # SSSR size matches reference
201: ok 6905 # correct SSSR count
201: ok 6906 # ring membership passed
201: ok 6907 # correct SSSR count
201: ok 6908 # ring membership passed
201: ok 6909 # correct SSSR count
201: ok 6910 # ring membership passed
201: ok 6911 # correct SSSR count
201: ok 6912 # ring membership passed
201: ok 6913 # correct SSSR count
201: ok 6914 # ring membership passed
201: ok 6915 # correct SSSR count
201: ok 6916 # ring membership passed
201: ok 6917 # correct SSSR count
201: ok 6918 # ring membership passed
201: ok 6919 # correct SSSR count
201: ok 6920 # ring membership passed
201: ok 6921 # correct SSSR count
201: ok 6922 # ring membership passed
201: ok 6923 # correct SSSR count
201: ok 6924 # ring membership passed
201: ok 6925 # correct SSSR count
201: ok 6926 # ring membership passed
201: ok 6927 # correct SSSR count
201: ok 6928 # ring membership passed
201: ok 6929 # correct SSSR count
201: ok 6930 # ring membership passed
201: ok 6931 # correct SSSR count
201: ok 6932 # ring membership passed
201: ok 6933 # correct ring bond data
201: ok 6934 # correct ring bond data
201: ok 6935 # correct ring bond data
201: ok 6936 # correct ring bond data
201: ok 6937 # correct ring bond data
201: ok 6938 # correct ring bond data
201: ok 6939 # correct ring bond data
201: ok 6940 # correct ring bond data
201: ok 6941 # correct ring bond data
201: ok 6942 # correct ring bond data
201: ok 6943 # correct ring bond data
201: ok 6944 # correct ring bond data
201: ok 6945 # correct ring bond data
201: ok 6946 # correct ring bond data
201: ok 6947 # correct ring bond data
201: ok 6948 # correct ring bond data
201: ok 6949 # correct ring bond data
201: ok 6950 # correct ring bond data
201: ok 6951 # SSSR size matches reference
201: ok 6952 # correct SSSR count
201: ok 6953 # ring membership passed
201: ok 6954 # correct SSSR count
201: ok 6955 # ring membership passed
201: ok 6956 # correct SSSR count
201: ok 6957 # ring membership passed
201: ok 6958 # correct SSSR count
201: ok 6959 # ring membership passed
201: ok 6960 # correct SSSR count
201: ok 6961 # ring membership passed
201: ok 6962 # correct SSSR count
201: ok 6963 # ring membership passed
201: ok 6964 # correct SSSR count
201: ok 6965 # ring membership passed
201: ok 6966 # correct SSSR count
201: ok 6967 # ring membership passed
201: ok 6968 # correct SSSR count
201: ok 6969 # ring membership passed
201: ok 6970 # correct SSSR count
201: ok 6971 # ring membership passed
201: ok 6972 # correct SSSR count
201: ok 6973 # ring membership passed
201: ok 6974 # correct SSSR count
201: ok 6975 # ring membership passed
201: ok 6976 # correct SSSR count
201: ok 6977 # ring membership passed
201: ok 6978 # correct SSSR count
201: ok 6979 # ring membership passed
201: ok 6980 # correct SSSR count
201: ok 6981 # ring membership passed
201: ok 6982 # correct SSSR count
201: ok 6983 # ring membership passed
201: ok 6984 # correct SSSR count
201: ok 6985 # ring membership passed
201: ok 6986 # correct SSSR count
201: ok 6987 # ring membership passed
201: ok 6988 # correct ring bond data
201: ok 6989 # correct ring bond data
201: ok 6990 # correct ring bond data
201: ok 6991 # correct ring bond data
201: ok 6992 # correct ring bond data
201: ok 6993 # correct ring bond data
201: ok 6994 # correct ring bond data
201: ok 6995 # correct ring bond data
201: ok 6996 # correct ring bond data
201: ok 6997 # correct ring bond data
201: ok 6998 # correct ring bond data
201: ok 6999 # correct ring bond data
201: ok 7000 # correct ring bond data
201: ok 7001 # correct ring bond data
201: ok 7002 # correct ring bond data
201: ok 7003 # correct ring bond data
201: ok 7004 # correct ring bond data
201: ok 7005 # correct ring bond data
201: ok 7006 # correct ring bond data
201: ok 7007 # correct ring bond data
201: ok 7008 # correct ring bond data
201: ok 7009 # SSSR size matches reference
201: ok 7010 # correct SSSR count
201: ok 7011 # ring membership passed
201: ok 7012 # correct SSSR count
201: ok 7013 # ring membership passed
201: ok 7014 # correct SSSR count
201: ok 7015 # ring membership passed
201: ok 7016 # correct SSSR count
201: ok 7017 # ring membership passed
201: ok 7018 # correct SSSR count
201: ok 7019 # ring membership passed
201: ok 7020 # correct SSSR count
201: ok 7021 # ring membership passed
201: ok 7022 # correct SSSR count
201: ok 7023 # ring membership passed
201: ok 7024 # correct SSSR count
201: ok 7025 # ring membership passed
201: ok 7026 # correct SSSR count
201: ok 7027 # ring membership passed
201: ok 7028 # correct SSSR count
201: ok 7029 # ring membership passed
201: ok 7030 # correct SSSR count
201: ok 7031 # ring membership passed
201: ok 7032 # correct SSSR count
201: ok 7033 # ring membership passed
201: ok 7034 # correct SSSR count
201: ok 7035 # ring membership passed
201: ok 7036 # correct SSSR count
201: ok 7037 # ring membership passed
201: ok 7038 # correct SSSR count
201: ok 7039 # ring membership passed
201: ok 7040 # correct SSSR count
201: ok 7041 # ring membership passed
201: ok 7042 # correct SSSR count
201: ok 7043 # ring membership passed
201: ok 7044 # correct SSSR count
201: ok 7045 # ring membership passed
201: ok 7046 # correct SSSR count
201: ok 7047 # ring membership passed
201: ok 7048 # correct SSSR count
201: ok 7049 # ring membership passed
201: ok 7050 # correct ring bond data
201: ok 7051 # correct ring bond data
201: ok 7052 # correct ring bond data
201: ok 7053 # correct ring bond data
201: ok 7054 # correct ring bond data
201: ok 7055 # correct ring bond data
201: ok 7056 # correct ring bond data
201: ok 7057 # correct ring bond data
201: ok 7058 # correct ring bond data
201: ok 7059 # correct ring bond data
201: ok 7060 # correct ring bond data
201: ok 7061 # correct ring bond data
201: ok 7062 # correct ring bond data
201: ok 7063 # correct ring bond data
201: ok 7064 # correct ring bond data
201: ok 7065 # correct ring bond data
201: ok 7066 # correct ring bond data
201: ok 7067 # correct ring bond data
201: ok 7068 # correct ring bond data
201: ok 7069 # correct ring bond data
201: ok 7070 # correct ring bond data
201: ok 7071 # correct ring bond data
201: ok 7072 # correct ring bond data
201: ok 7073 # SSSR size matches reference
201: ok 7074 # correct SSSR count
201: ok 7075 # ring membership passed
201: ok 7076 # correct SSSR count
201: ok 7077 # ring membership passed
201: ok 7078 # correct SSSR count
201: ok 7079 # ring membership passed
201: ok 7080 # correct SSSR count
201: ok 7081 # ring membership passed
201: ok 7082 # correct SSSR count
201: ok 7083 # ring membership passed
201: ok 7084 # correct SSSR count
201: ok 7085 # ring membership passed
201: ok 7086 # correct SSSR count
201: ok 7087 # ring membership passed
201: ok 7088 # correct SSSR count
201: ok 7089 # ring membership passed
201: ok 7090 # correct SSSR count
201: ok 7091 # ring membership passed
201: ok 7092 # correct SSSR count
201: ok 7093 # ring membership passed
201: ok 7094 # correct SSSR count
201: ok 7095 # ring membership passed
201: ok 7096 # correct SSSR count
201: ok 7097 # ring membership passed
201: ok 7098 # correct SSSR count
201: ok 7099 # ring membership passed
201: ok 7100 # correct SSSR count
201: ok 7101 # ring membership passed
201: ok 7102 # correct SSSR count
201: ok 7103 # ring membership passed
201: ok 7104 # correct SSSR count
201: ok 7105 # ring membership passed
201: ok 7106 # correct SSSR count
201: ok 7107 # ring membership passed
201: ok 7108 # correct SSSR count
201: ok 7109 # ring membership passed
201: ok 7110 # correct SSSR count
201: ok 7111 # ring membership passed
201: ok 7112 # correct SSSR count
201: ok 7113 # ring membership passed
201: ok 7114 # correct ring bond data
201: ok 7115 # correct ring bond data
201: ok 7116 # correct ring bond data
201: ok 7117 # correct ring bond data
201: ok 7118 # correct ring bond data
201: ok 7119 # correct ring bond data
201: ok 7120 # correct ring bond data
201: ok 7121 # correct ring bond data
201: ok 7122 # correct ring bond data
201: ok 7123 # correct ring bond data
201: ok 7124 # correct ring bond data
201: ok 7125 # SSSR size matches reference
201: ok 7126 # correct SSSR count
201: ok 7127 # ring membership passed
201: ok 7128 # correct SSSR count
201: ok 7129 # ring membership passed
201: ok 7130 # correct SSSR count
201: ok 7131 # ring membership passed
201: ok 7132 # correct SSSR count
201: ok 7133 # ring membership passed
201: ok 7134 # correct SSSR count
201: ok 7135 # ring membership passed
201: ok 7136 # correct SSSR count
201: ok 7137 # ring membership passed
201: ok 7138 # correct SSSR count
201: ok 7139 # ring membership passed
201: ok 7140 # correct SSSR count
201: ok 7141 # ring membership passed
201: ok 7142 # correct SSSR count
201: ok 7143 # ring membership passed
201: ok 7144 # correct SSSR count
201: ok 7145 # ring membership passed
201: ok 7146 # correct SSSR count
201: ok 7147 # ring membership passed
201: ok 7148 # correct SSSR count
201: ok 7149 # ring membership passed
201: ok 7150 # correct ring bond data
201: ok 7151 # correct ring bond data
201: ok 7152 # correct ring bond data
201: ok 7153 # correct ring bond data
201: ok 7154 # correct ring bond data
201: ok 7155 # correct ring bond data
201: ok 7156 # correct ring bond data
201: ok 7157 # correct ring bond data
201: ok 7158 # correct ring bond data
201: ok 7159 # correct ring bond data
201: ok 7160 # correct ring bond data
201: ok 7161 # correct ring bond data
201: ok 7162 # correct ring bond data
201: ok 7163 # correct ring bond data
201: ok 7164 # correct ring bond data
201: ok 7165 # correct ring bond data
201: ok 7166 # correct ring bond data
201: ok 7167 # correct ring bond data
201: ok 7168 # correct ring bond data
201: ok 7169 # correct ring bond data
201: ok 7170 # correct ring bond data
201: ok 7171 # correct ring bond data
201: ok 7172 # correct ring bond data
201: ok 7173 # correct ring bond data
201: ok 7174 # correct ring bond data
201: ok 7175 # correct ring bond data
201: ok 7176 # correct ring bond data
201: ok 7177 # correct ring bond data
201: ok 7178 # correct ring bond data
201: ok 7179 # correct ring bond data
201: ok 7180 # SSSR size matches reference
201: ok 7181 # correct SSSR count
201: ok 7182 # ring membership passed
201: ok 7183 # correct SSSR count
201: ok 7184 # ring membership passed
201: ok 7185 # correct SSSR count
201: ok 7186 # ring membership passed
201: ok 7187 # correct SSSR count
201: ok 7188 # ring membership passed
201: ok 7189 # correct SSSR count
201: ok 7190 # ring membership passed
201: ok 7191 # correct SSSR count
201: ok 7192 # ring membership passed
201: ok 7193 # correct SSSR count
201: ok 7194 # ring membership passed
201: ok 7195 # correct SSSR count
201: ok 7196 # ring membership passed
201: ok 7197 # correct SSSR count
201: ok 7198 # ring membership passed
201: ok 7199 # correct SSSR count
201: ok 7200 # ring membership passed
201: ok 7201 # correct SSSR count
201: ok 7202 # ring membership passed
201: ok 7203 # correct SSSR count
201: ok 7204 # ring membership passed
201: ok 7205 # correct SSSR count
201: ok 7206 # ring membership passed
201: ok 7207 # correct SSSR count
201: ok 7208 # ring membership passed
201: ok 7209 # correct SSSR count
201: ok 7210 # ring membership passed
201: ok 7211 # correct SSSR count
201: ok 7212 # ring membership passed
201: ok 7213 # correct SSSR count
201: ok 7214 # ring membership passed
201: ok 7215 # correct SSSR count
201: ok 7216 # ring membership passed
201: ok 7217 # correct SSSR count
201: ok 7218 # ring membership passed
201: ok 7219 # correct SSSR count
201: ok 7220 # ring membership passed
201: ok 7221 # correct SSSR count
201: ok 7222 # ring membership passed
201: ok 7223 # correct SSSR count
201: ok 7224 # ring membership passed
201: ok 7225 # correct SSSR count
201: ok 7226 # ring membership passed
201: ok 7227 # correct SSSR count
201: ok 7228 # ring membership passed
201: ok 7229 # correct SSSR count
201: ok 7230 # ring membership passed
201: ok 7231 # correct SSSR count
201: ok 7232 # ring membership passed
201: ok 7233 # correct ring bond data
201: ok 7234 # correct ring bond data
201: ok 7235 # correct ring bond data
201: ok 7236 # correct ring bond data
201: ok 7237 # correct ring bond data
201: ok 7238 # correct ring bond data
201: ok 7239 # correct ring bond data
201: ok 7240 # correct ring bond data
201: ok 7241 # correct ring bond data
201: ok 7242 # correct ring bond data
201: ok 7243 # correct ring bond data
201: ok 7244 # correct ring bond data
201: ok 7245 # SSSR size matches reference
201: ok 7246 # correct SSSR count
201: ok 7247 # ring membership passed
201: ok 7248 # correct SSSR count
201: ok 7249 # ring membership passed
201: ok 7250 # correct SSSR count
201: ok 7251 # ring membership passed
201: ok 7252 # correct SSSR count
201: ok 7253 # ring membership passed
201: ok 7254 # correct SSSR count
201: ok 7255 # ring membership passed
201: ok 7256 # correct SSSR count
201: ok 7257 # ring membership passed
201: ok 7258 # correct SSSR count
201: ok 7259 # ring membership passed
201: ok 7260 # correct SSSR count
201: ok 7261 # ring membership passed
201: ok 7262 # correct SSSR count
201: ok 7263 # ring membership passed
201: ok 7264 # correct SSSR count
201: ok 7265 # ring membership passed
201: ok 7266 # correct SSSR count
201: ok 7267 # ring membership passed
201: ok 7268 # correct ring bond data
201: ok 7269 # correct ring bond data
201: ok 7270 # correct ring bond data
201: ok 7271 # correct ring bond data
201: ok 7272 # correct ring bond data
201: ok 7273 # correct ring bond data
201: ok 7274 # correct ring bond data
201: ok 7275 # correct ring bond data
201: ok 7276 # correct ring bond data
201: ok 7277 # correct ring bond data
201: ok 7278 # correct ring bond data
201: ok 7279 # correct ring bond data
201: ok 7280 # correct ring bond data
201: ok 7281 # correct ring bond data
201: ok 7282 # correct ring bond data
201: ok 7283 # correct ring bond data
201: ok 7284 # correct ring bond data
201: ok 7285 # correct ring bond data
201: ok 7286 # correct ring bond data
201: ok 7287 # correct ring bond data
201: ok 7288 # correct ring bond data
201: ok 7289 # correct ring bond data
201: ok 7290 # correct ring bond data
201: ok 7291 # SSSR size matches reference
201: ok 7292 # correct SSSR count
201: ok 7293 # ring membership passed
201: ok 7294 # correct SSSR count
201: ok 7295 # ring membership passed
201: ok 7296 # correct SSSR count
201: ok 7297 # ring membership passed
201: ok 7298 # correct SSSR count
201: ok 7299 # ring membership passed
201: ok 7300 # correct SSSR count
201: ok 7301 # ring membership passed
201: ok 7302 # correct SSSR count
201: ok 7303 # ring membership passed
201: ok 7304 # correct SSSR count
201: ok 7305 # ring membership passed
201: ok 7306 # correct SSSR count
201: ok 7307 # ring membership passed
201: ok 7308 # correct SSSR count
201: ok 7309 # ring membership passed
201: ok 7310 # correct SSSR count
201: ok 7311 # ring membership passed
201: ok 7312 # correct SSSR count
201: ok 7313 # ring membership passed
201: ok 7314 # correct SSSR count
201: ok 7315 # ring membership passed
201: ok 7316 # correct SSSR count
201: ok 7317 # ring membership passed
201: ok 7318 # correct SSSR count
201: ok 7319 # ring membership passed
201: ok 7320 # correct SSSR count
201: ok 7321 # ring membership passed
201: ok 7322 # correct SSSR count
201: ok 7323 # ring membership passed
201: ok 7324 # correct SSSR count
201: ok 7325 # ring membership passed
201: ok 7326 # correct SSSR count
201: ok 7327 # ring membership passed
201: ok 7328 # correct SSSR count
201: ok 7329 # ring membership passed
201: ok 7330 # correct SSSR count
201: ok 7331 # ring membership passed
201: ok 7332 # correct ring bond data
201: ok 7333 # correct ring bond data
201: ok 7334 # correct ring bond data
201: ok 7335 # correct ring bond data
201: ok 7336 # correct ring bond data
201: ok 7337 # correct ring bond data
201: ok 7338 # correct ring bond data
201: ok 7339 # correct ring bond data
201: ok 7340 # correct ring bond data
201: ok 7341 # correct ring bond data
201: ok 7342 # correct ring bond data
201: ok 7343 # correct ring bond data
201: ok 7344 # correct ring bond data
201: ok 7345 # SSSR size matches reference
201: ok 7346 # correct SSSR count
201: ok 7347 # ring membership passed
201: ok 7348 # correct SSSR count
201: ok 7349 # ring membership passed
201: ok 7350 # correct SSSR count
201: ok 7351 # ring membership passed
201: ok 7352 # correct SSSR count
201: ok 7353 # ring membership passed
201: ok 7354 # correct SSSR count
201: ok 7355 # ring membership passed
201: ok 7356 # correct SSSR count
201: ok 7357 # ring membership passed
201: ok 7358 # correct SSSR count
201: ok 7359 # ring membership passed
201: ok 7360 # correct SSSR count
201: ok 7361 # ring membership passed
201: ok 7362 # correct SSSR count
201: ok 7363 # ring membership passed
201: ok 7364 # correct SSSR count
201: ok 7365 # ring membership passed
201: ok 7366 # correct SSSR count
201: ok 7367 # ring membership passed
201: ok 7368 # correct SSSR count
201: ok 7369 # ring membership passed
201: ok 7370 # correct SSSR count
201: ok 7371 # ring membership passed
201: ok 7372 # correct SSSR count
201: ok 7373 # ring membership passed
201: ok 7374 # correct ring bond data
201: ok 7375 # correct ring bond data
201: ok 7376 # correct ring bond data
201: ok 7377 # correct ring bond data
201: ok 7378 # correct ring bond data
201: ok 7379 # correct ring bond data
201: ok 7380 # correct ring bond data
201: ok 7381 # correct ring bond data
201: ok 7382 # correct ring bond data
201: ok 7383 # correct ring bond data
201: ok 7384 # correct ring bond data
201: ok 7385 # correct ring bond data
201: ok 7386 # correct ring bond data
201: ok 7387 # correct ring bond data
201: ok 7388 # correct ring bond data
201: ok 7389 # correct ring bond data
201: ok 7390 # correct ring bond data
201: ok 7391 # correct ring bond data
201: ok 7392 # correct ring bond data
201: ok 7393 # correct ring bond data
201: ok 7394 # correct ring bond data
201: ok 7395 # correct ring bond data
201: ok 7396 # correct ring bond data
201: ok 7397 # correct ring bond data
201: ok 7398 # correct ring bond data
201: ok 7399 # correct ring bond data
201: ok 7400 # correct ring bond data
201: ok 7401 # SSSR size matches reference
201: ok 7402 # correct SSSR count
201: ok 7403 # ring membership passed
201: ok 7404 # correct SSSR count
201: ok 7405 # ring membership passed
201: ok 7406 # correct SSSR count
201: ok 7407 # ring membership passed
201: ok 7408 # correct SSSR count
201: ok 7409 # ring membership passed
201: ok 7410 # correct SSSR count
201: ok 7411 # ring membership passed
201: ok 7412 # correct SSSR count
201: ok 7413 # ring membership passed
201: ok 7414 # correct SSSR count
201: ok 7415 # ring membership passed
201: ok 7416 # correct SSSR count
201: ok 7417 # ring membership passed
201: ok 7418 # correct SSSR count
201: ok 7419 # ring membership passed
201: ok 7420 # correct SSSR count
201: ok 7421 # ring membership passed
201: ok 7422 # correct SSSR count
201: ok 7423 # ring membership passed
201: ok 7424 # correct SSSR count
201: ok 7425 # ring membership passed
201: ok 7426 # correct SSSR count
201: ok 7427 # ring membership passed
201: ok 7428 # correct SSSR count
201: ok 7429 # ring membership passed
201: ok 7430 # correct SSSR count
201: ok 7431 # ring membership passed
201: ok 7432 # correct SSSR count
201: ok 7433 # ring membership passed
201: ok 7434 # correct SSSR count
201: ok 7435 # ring membership passed
201: ok 7436 # correct SSSR count
201: ok 7437 # ring membership passed
201: ok 7438 # correct SSSR count
201: ok 7439 # ring membership passed
201: ok 7440 # correct SSSR count
201: ok 7441 # ring membership passed
201: ok 7442 # correct SSSR count
201: ok 7443 # ring membership passed
201: ok 7444 # correct SSSR count
201: ok 7445 # ring membership passed
201: ok 7446 # correct SSSR count
201: ok 7447 # ring membership passed
201: ok 7448 # correct SSSR count
201: ok 7449 # ring membership passed
201: ok 7450 # correct SSSR count
201: ok 7451 # ring membership passed
201: ok 7452 # correct SSSR count
201: ok 7453 # ring membership passed
201: ok 7454 # correct ring bond data
201: ok 7455 # correct ring bond data
201: ok 7456 # correct ring bond data
201: ok 7457 # correct ring bond data
201: ok 7458 # correct ring bond data
201: ok 7459 # correct ring bond data
201: ok 7460 # correct ring bond data
201: ok 7461 # correct ring bond data
201: ok 7462 # correct ring bond data
201: ok 7463 # correct ring bond data
201: ok 7464 # correct ring bond data
201: ok 7465 # correct ring bond data
201: ok 7466 # correct ring bond data
201: ok 7467 # correct ring bond data
201: ok 7468 # correct ring bond data
201: ok 7469 # correct ring bond data
201: ok 7470 # correct ring bond data
201: ok 7471 # correct ring bond data
201: ok 7472 # correct ring bond data
201: ok 7473 # correct ring bond data
201: ok 7474 # correct ring bond data
201: ok 7475 # correct ring bond data
201: ok 7476 # correct ring bond data
201: ok 7477 # correct ring bond data
201: ok 7478 # correct ring bond data
201: ok 7479 # correct ring bond data
201: ok 7480 # correct ring bond data
201: ok 7481 # SSSR size matches reference
201: ok 7482 # correct SSSR count
201: ok 7483 # ring membership passed
201: ok 7484 # correct SSSR count
201: ok 7485 # ring membership passed
201: ok 7486 # correct SSSR count
201: ok 7487 # ring membership passed
201: ok 7488 # correct SSSR count
201: ok 7489 # ring membership passed
201: ok 7490 # correct SSSR count
201: ok 7491 # ring membership passed
201: ok 7492 # correct SSSR count
201: ok 7493 # ring membership passed
201: ok 7494 # correct SSSR count
201: ok 7495 # ring membership passed
201: ok 7496 # correct SSSR count
201: ok 7497 # ring membership passed
201: ok 7498 # correct SSSR count
201: ok 7499 # ring membership passed
201: ok 7500 # correct SSSR count
201: ok 7501 # ring membership passed
201: ok 7502 # correct SSSR count
201: ok 7503 # ring membership passed
201: ok 7504 # correct SSSR count
201: ok 7505 # ring membership passed
201: ok 7506 # correct SSSR count
201: ok 7507 # ring membership passed
201: ok 7508 # correct SSSR count
201: ok 7509 # ring membership passed
201: ok 7510 # correct SSSR count
201: ok 7511 # ring membership passed
201: ok 7512 # correct SSSR count
201: ok 7513 # ring membership passed
201: ok 7514 # correct SSSR count
201: ok 7515 # ring membership passed
201: ok 7516 # correct SSSR count
201: ok 7517 # ring membership passed
201: ok 7518 # correct SSSR count
201: ok 7519 # ring membership passed
201: ok 7520 # correct SSSR count
201: ok 7521 # ring membership passed
201: ok 7522 # correct SSSR count
201: ok 7523 # ring membership passed
201: ok 7524 # correct SSSR count
201: ok 7525 # ring membership passed
201: ok 7526 # correct SSSR count
201: ok 7527 # ring membership passed
201: ok 7528 # correct ring bond data
201: ok 7529 # correct ring bond data
201: ok 7530 # correct ring bond data
201: ok 7531 # correct ring bond data
201: ok 7532 # correct ring bond data
201: ok 7533 # correct ring bond data
201: ok 7534 # correct ring bond data
201: ok 7535 # correct ring bond data
201: ok 7536 # correct ring bond data
201: ok 7537 # correct ring bond data
201: ok 7538 # correct ring bond data
201: ok 7539 # correct ring bond data
201: ok 7540 # correct ring bond data
201: ok 7541 # correct ring bond data
201: ok 7542 # correct ring bond data
201: ok 7543 # SSSR size matches reference
201: ok 7544 # correct SSSR count
201: ok 7545 # ring membership passed
201: ok 7546 # correct SSSR count
201: ok 7547 # ring membership passed
201: ok 7548 # correct SSSR count
201: ok 7549 # ring membership passed
201: ok 7550 # correct SSSR count
201: ok 7551 # ring membership passed
201: ok 7552 # correct SSSR count
201: ok 7553 # ring membership passed
201: ok 7554 # correct SSSR count
201: ok 7555 # ring membership passed
201: ok 7556 # correct SSSR count
201: ok 7557 # ring membership passed
201: ok 7558 # correct SSSR count
201: ok 7559 # ring membership passed
201: ok 7560 # correct SSSR count
201: ok 7561 # ring membership passed
201: ok 7562 # correct SSSR count
201: ok 7563 # ring membership passed
201: ok 7564 # correct SSSR count
201: ok 7565 # ring membership passed
201: ok 7566 # correct SSSR count
201: ok 7567 # ring membership passed
201: ok 7568 # correct SSSR count
201: ok 7569 # ring membership passed
201: ok 7570 # correct SSSR count
201: ok 7571 # ring membership passed
201: ok 7572 # correct ring bond data
201: ok 7573 # correct ring bond data
201: ok 7574 # correct ring bond data
201: ok 7575 # correct ring bond data
201: ok 7576 # correct ring bond data
201: ok 7577 # correct ring bond data
201: ok 7578 # correct ring bond data
201: ok 7579 # correct ring bond data
201: ok 7580 # correct ring bond data
201: ok 7581 # correct ring bond data
201: ok 7582 # correct ring bond data
201: ok 7583 # correct ring bond data
201: ok 7584 # correct ring bond data
201: ok 7585 # SSSR size matches reference
201: ok 7586 # correct SSSR count
201: ok 7587 # ring membership passed
201: ok 7588 # correct SSSR count
201: ok 7589 # ring membership passed
201: ok 7590 # correct SSSR count
201: ok 7591 # ring membership passed
201: ok 7592 # correct SSSR count
201: ok 7593 # ring membership passed
201: ok 7594 # correct SSSR count
201: ok 7595 # ring membership passed
201: ok 7596 # correct SSSR count
201: ok 7597 # ring membership passed
201: ok 7598 # correct SSSR count
201: ok 7599 # ring membership passed
201: ok 7600 # correct SSSR count
201: ok 7601 # ring membership passed
201: ok 7602 # correct SSSR count
201: ok 7603 # ring membership passed
201: ok 7604 # correct SSSR count
201: ok 7605 # ring membership passed
201: ok 7606 # correct SSSR count
201: ok 7607 # ring membership passed
201: ok 7608 # correct SSSR count
201: ok 7609 # ring membership passed
201: ok 7610 # correct SSSR count
201: ok 7611 # ring membership passed
201: ok 7612 # correct SSSR count
201: ok 7613 # ring membership passed
201: ok 7614 # correct ring bond data
201: ok 7615 # correct ring bond data
201: ok 7616 # correct ring bond data
201: ok 7617 # correct ring bond data
201: ok 7618 # correct ring bond data
201: ok 7619 # correct ring bond data
201: ok 7620 # correct ring bond data
201: ok 7621 # correct ring bond data
201: ok 7622 # correct ring bond data
201: ok 7623 # correct ring bond data
201: ok 7624 # correct ring bond data
201: ok 7625 # correct ring bond data
201: ok 7626 # correct ring bond data
201: ok 7627 # correct ring bond data
201: ok 7628 # correct ring bond data
201: ok 7629 # correct ring bond data
201: ok 7630 # correct ring bond data
201: ok 7631 # correct ring bond data
201: ok 7632 # correct ring bond data
201: ok 7633 # correct ring bond data
201: ok 7634 # correct ring bond data
201: ok 7635 # correct ring bond data
201: ok 7636 # correct ring bond data
201: ok 7637 # correct ring bond data
201: ok 7638 # correct ring bond data
201: ok 7639 # correct ring bond data
201: ok 7640 # correct ring bond data
201: ok 7641 # correct ring bond data
201: ok 7642 # correct ring bond data
201: ok 7643 # correct ring bond data
201: ok 7644 # correct ring bond data
201: ok 7645 # correct ring bond data
201: ok 7646 # correct ring bond data
201: ok 7647 # SSSR size matches reference
201: ok 7648 # correct SSSR count
201: ok 7649 # ring membership passed
201: ok 7650 # correct SSSR count
201: ok 7651 # ring membership passed
201: ok 7652 # correct SSSR count
201: ok 7653 # ring membership passed
201: ok 7654 # correct SSSR count
201: ok 7655 # ring membership passed
201: ok 7656 # correct SSSR count
201: ok 7657 # ring membership passed
201: ok 7658 # correct SSSR count
201: ok 7659 # ring membership passed
201: ok 7660 # correct SSSR count
201: ok 7661 # ring membership passed
201: ok 7662 # correct SSSR count
201: ok 7663 # ring membership passed
201: ok 7664 # correct SSSR count
201: ok 7665 # ring membership passed
201: ok 7666 # correct SSSR count
201: ok 7667 # ring membership passed
201: ok 7668 # correct SSSR count
201: ok 7669 # ring membership passed
201: ok 7670 # correct SSSR count
201: ok 7671 # ring membership passed
201: ok 7672 # correct SSSR count
201: ok 7673 # ring membership passed
201: ok 7674 # correct SSSR count
201: ok 7675 # ring membership passed
201: ok 7676 # correct SSSR count
201: ok 7677 # ring membership passed
201: ok 7678 # correct SSSR count
201: ok 7679 # ring membership passed
201: ok 7680 # correct SSSR count
201: ok 7681 # ring membership passed
201: ok 7682 # correct SSSR count
201: ok 7683 # ring membership passed
201: ok 7684 # correct SSSR count
201: ok 7685 # ring membership passed
201: ok 7686 # correct SSSR count
201: ok 7687 # ring membership passed
201: ok 7688 # correct SSSR count
201: ok 7689 # ring membership passed
201: ok 7690 # correct SSSR count
201: ok 7691 # ring membership passed
201: ok 7692 # correct SSSR count
201: ok 7693 # ring membership passed
201: ok 7694 # correct SSSR count
201: ok 7695 # ring membership passed
201: ok 7696 # correct SSSR count
201: ok 7697 # ring membership passed
201: ok 7698 # correct SSSR count
201: ok 7699 # ring membership passed
201: ok 7700 # correct SSSR count
201: ok 7701 # ring membership passed
201: ok 7702 # correct SSSR count
201: ok 7703 # ring membership passed
201: ok 7704 # correct SSSR count
201: ok 7705 # ring membership passed
201: ok 7706 # correct SSSR count
201: ok 7707 # ring membership passed
201: ok 7708 # correct ring bond data
201: ok 7709 # correct ring bond data
201: ok 7710 # correct ring bond data
201: ok 7711 # correct ring bond data
201: ok 7712 # correct ring bond data
201: ok 7713 # correct ring bond data
201: ok 7714 # correct ring bond data
201: ok 7715 # correct ring bond data
201: ok 7716 # correct ring bond data
201: ok 7717 # correct ring bond data
201: ok 7718 # correct ring bond data
201: ok 7719 # correct ring bond data
201: ok 7720 # correct ring bond data
201: ok 7721 # correct ring bond data
201: ok 7722 # correct ring bond data
201: ok 7723 # correct ring bond data
201: ok 7724 # correct ring bond data
201: ok 7725 # correct ring bond data
201: ok 7726 # correct ring bond data
201: ok 7727 # correct ring bond data
201: ok 7728 # correct ring bond data
201: ok 7729 # SSSR size matches reference
201: ok 7730 # correct SSSR count
201: ok 7731 # ring membership passed
201: ok 7732 # correct SSSR count
201: ok 7733 # ring membership passed
201: ok 7734 # correct SSSR count
201: ok 7735 # ring membership passed
201: ok 7736 # correct SSSR count
201: ok 7737 # ring membership passed
201: ok 7738 # correct SSSR count
201: ok 7739 # ring membership passed
201: ok 7740 # correct SSSR count
201: ok 7741 # ring membership passed
201: ok 7742 # correct SSSR count
201: ok 7743 # ring membership passed
201: ok 7744 # correct SSSR count
201: ok 7745 # ring membership passed
201: ok 7746 # correct SSSR count
201: ok 7747 # ring membership passed
201: ok 7748 # correct SSSR count
201: ok 7749 # ring membership passed
201: ok 7750 # correct SSSR count
201: ok 7751 # ring membership passed
201: ok 7752 # correct SSSR count
201: ok 7753 # ring membership passed
201: ok 7754 # correct SSSR count
201: ok 7755 # ring membership passed
201: ok 7756 # correct SSSR count
201: ok 7757 # ring membership passed
201: ok 7758 # correct SSSR count
201: ok 7759 # ring membership passed
201: ok 7760 # correct SSSR count
201: ok 7761 # ring membership passed
201: ok 7762 # correct SSSR count
201: ok 7763 # ring membership passed
201: ok 7764 # correct SSSR count
201: ok 7765 # ring membership passed
201: ok 7766 # correct SSSR count
201: ok 7767 # ring membership passed
201: ok 7768 # correct SSSR count
201: ok 7769 # ring membership passed
201: ok 7770 # correct ring bond data
201: ok 7771 # correct ring bond data
201: ok 7772 # correct ring bond data
201: ok 7773 # correct ring bond data
201: ok 7774 # correct ring bond data
201: ok 7775 # correct ring bond data
201: ok 7776 # correct ring bond data
201: ok 7777 # correct ring bond data
201: ok 7778 # correct ring bond data
201: ok 7779 # correct ring bond data
201: ok 7780 # correct ring bond data
201: ok 7781 # correct ring bond data
201: ok 7782 # correct ring bond data
201: ok 7783 # correct ring bond data
201: ok 7784 # correct ring bond data
201: ok 7785 # correct ring bond data
201: ok 7786 # correct ring bond data
201: ok 7787 # correct ring bond data
201: ok 7788 # correct ring bond data
201: ok 7789 # correct ring bond data
201: ok 7790 # correct ring bond data
201: ok 7791 # correct ring bond data
201: ok 7792 # correct ring bond data
201: ok 7793 # correct ring bond data
201: ok 7794 # correct ring bond data
201: ok 7795 # correct ring bond data
201: ok 7796 # correct ring bond data
201: ok 7797 # SSSR size matches reference
201: ok 7798 # correct SSSR count
201: ok 7799 # ring membership passed
201: ok 7800 # correct SSSR count
201: ok 7801 # ring membership passed
201: ok 7802 # correct SSSR count
201: ok 7803 # ring membership passed
201: ok 7804 # correct SSSR count
201: ok 7805 # ring membership passed
201: ok 7806 # correct SSSR count
201: ok 7807 # ring membership passed
201: ok 7808 # correct SSSR count
201: ok 7809 # ring membership passed
201: ok 7810 # correct SSSR count
201: ok 7811 # ring membership passed
201: ok 7812 # correct SSSR count
201: ok 7813 # ring membership passed
201: ok 7814 # correct SSSR count
201: ok 7815 # ring membership passed
201: ok 7816 # correct SSSR count
201: ok 7817 # ring membership passed
201: ok 7818 # correct SSSR count
201: ok 7819 # ring membership passed
201: ok 7820 # correct SSSR count
201: ok 7821 # ring membership passed
201: ok 7822 # correct SSSR count
201: ok 7823 # ring membership passed
201: ok 7824 # correct SSSR count
201: ok 7825 # ring membership passed
201: ok 7826 # correct SSSR count
201: ok 7827 # ring membership passed
201: ok 7828 # correct SSSR count
201: ok 7829 # ring membership passed
201: ok 7830 # correct SSSR count
201: ok 7831 # ring membership passed
201: ok 7832 # correct SSSR count
201: ok 7833 # ring membership passed
201: ok 7834 # correct SSSR count
201: ok 7835 # ring membership passed
201: ok 7836 # correct SSSR count
201: ok 7837 # ring membership passed
201: ok 7838 # correct SSSR count
201: ok 7839 # ring membership passed
201: ok 7840 # correct SSSR count
201: ok 7841 # ring membership passed
201: ok 7842 # correct SSSR count
201: ok 7843 # ring membership passed
201: ok 7844 # correct SSSR count
201: ok 7845 # ring membership passed
201: ok 7846 # correct SSSR count
201: ok 7847 # ring membership passed
201: ok 7848 # correct SSSR count
201: ok 7849 # ring membership passed
201: ok 7850 # correct ring bond data
201: ok 7851 # correct ring bond data
201: ok 7852 # correct ring bond data
201: ok 7853 # correct ring bond data
201: ok 7854 # correct ring bond data
201: ok 7855 # correct ring bond data
201: ok 7856 # correct ring bond data
201: ok 7857 # correct ring bond data
201: ok 7858 # correct ring bond data
201: ok 7859 # correct ring bond data
201: ok 7860 # correct ring bond data
201: ok 7861 # correct ring bond data
201: ok 7862 # correct ring bond data
201: ok 7863 # correct ring bond data
201: ok 7864 # correct ring bond data
201: ok 7865 # correct ring bond data
201: ok 7866 # correct ring bond data
201: ok 7867 # correct ring bond data
201: ok 7868 # correct ring bond data
201: ok 7869 # correct ring bond data
201: ok 7870 # correct ring bond data
201: ok 7871 # correct ring bond data
201: ok 7872 # correct ring bond data
201: ok 7873 # correct ring bond data
201: ok 7874 # correct ring bond data
201: ok 7875 # SSSR size matches reference
201: ok 7876 # correct SSSR count
201: ok 7877 # ring membership passed
201: ok 7878 # correct SSSR count
201: ok 7879 # ring membership passed
201: ok 7880 # correct SSSR count
201: ok 7881 # ring membership passed
201: ok 7882 # correct SSSR count
201: ok 7883 # ring membership passed
201: ok 7884 # correct SSSR count
201: ok 7885 # ring membership passed
201: ok 7886 # correct SSSR count
201: ok 7887 # ring membership passed
201: ok 7888 # correct SSSR count
201: ok 7889 # ring membership passed
201: ok 7890 # correct SSSR count
201: ok 7891 # ring membership passed
201: ok 7892 # correct SSSR count
201: ok 7893 # ring membership passed
201: ok 7894 # correct SSSR count
201: ok 7895 # ring membership passed
201: ok 7896 # correct SSSR count
201: ok 7897 # ring membership passed
201: ok 7898 # correct SSSR count
201: ok 7899 # ring membership passed
201: ok 7900 # correct SSSR count
201: ok 7901 # ring membership passed
201: ok 7902 # correct SSSR count
201: ok 7903 # ring membership passed
201: ok 7904 # correct SSSR count
201: ok 7905 # ring membership passed
201: ok 7906 # correct SSSR count
201: ok 7907 # ring membership passed
201: ok 7908 # correct SSSR count
201: ok 7909 # ring membership passed
201: ok 7910 # correct SSSR count
201: ok 7911 # ring membership passed
201: ok 7912 # correct SSSR count
201: ok 7913 # ring membership passed
201: ok 7914 # correct SSSR count
201: ok 7915 # ring membership passed
201: ok 7916 # correct SSSR count
201: ok 7917 # ring membership passed
201: ok 7918 # correct SSSR count
201: ok 7919 # ring membership passed
201: ok 7920 # correct SSSR count
201: ok 7921 # ring membership passed
201: ok 7922 # correct SSSR count
201: ok 7923 # ring membership passed
201: ok 7924 # correct ring bond data
201: ok 7925 # correct ring bond data
201: ok 7926 # correct ring bond data
201: ok 7927 # correct ring bond data
201: ok 7928 # correct ring bond data
201: ok 7929 # correct ring bond data
201: ok 7930 # correct ring bond data
201: ok 7931 # correct ring bond data
201: ok 7932 # correct ring bond data
201: ok 7933 # correct ring bond data
201: ok 7934 # correct ring bond data
201: ok 7935 # correct ring bond data
201: ok 7936 # correct ring bond data
201: ok 7937 # correct ring bond data
201: ok 7938 # correct ring bond data
201: ok 7939 # correct ring bond data
201: ok 7940 # correct ring bond data
201: ok 7941 # correct ring bond data
201: ok 7942 # correct ring bond data
201: ok 7943 # correct ring bond data
201: ok 7944 # correct ring bond data
201: ok 7945 # correct ring bond data
201: ok 7946 # correct ring bond data
201: ok 7947 # correct ring bond data
201: ok 7948 # correct ring bond data
201: ok 7949 # correct ring bond data
201: ok 7950 # correct ring bond data
201: ok 7951 # correct ring bond data
201: ok 7952 # correct ring bond data
201: ok 7953 # correct ring bond data
201: ok 7954 # correct ring bond data
201: ok 7955 # correct ring bond data
201: ok 7956 # correct ring bond data
201: ok 7957 # SSSR size matches reference
201: ok 7958 # correct SSSR count
201: ok 7959 # ring membership passed
201: ok 7960 # correct SSSR count
201: ok 7961 # ring membership passed
201: ok 7962 # correct SSSR count
201: ok 7963 # ring membership passed
201: ok 7964 # correct SSSR count
201: ok 7965 # ring membership passed
201: ok 7966 # correct SSSR count
201: ok 7967 # ring membership passed
201: ok 7968 # correct SSSR count
201: ok 7969 # ring membership passed
201: ok 7970 # correct SSSR count
201: ok 7971 # ring membership passed
201: ok 7972 # correct SSSR count
201: ok 7973 # ring membership passed
201: ok 7974 # correct SSSR count
201: ok 7975 # ring membership passed
201: ok 7976 # correct SSSR count
201: ok 7977 # ring membership passed
201: ok 7978 # correct SSSR count
201: ok 7979 # ring membership passed
201: ok 7980 # correct SSSR count
201: ok 7981 # ring membership passed
201: ok 7982 # correct SSSR count
201: ok 7983 # ring membership passed
201: ok 7984 # correct SSSR count
201: ok 7985 # ring membership passed
201: ok 7986 # correct SSSR count
201: ok 7987 # ring membership passed
201: ok 7988 # correct SSSR count
201: ok 7989 # ring membership passed
201: ok 7990 # correct SSSR count
201: ok 7991 # ring membership passed
201: ok 7992 # correct SSSR count
201: ok 7993 # ring membership passed
201: ok 7994 # correct SSSR count
201: ok 7995 # ring membership passed
201: ok 7996 # correct SSSR count
201: ok 7997 # ring membership passed
201: ok 7998 # correct SSSR count
201: ok 7999 # ring membership passed
201: ok 8000 # correct SSSR count
201: ok 8001 # ring membership passed
201: ok 8002 # correct SSSR count
201: ok 8003 # ring membership passed
201: ok 8004 # correct SSSR count
201: ok 8005 # ring membership passed
201: ok 8006 # correct SSSR count
201: ok 8007 # ring membership passed
201: ok 8008 # correct SSSR count
201: ok 8009 # ring membership passed
201: ok 8010 # correct SSSR count
201: ok 8011 # ring membership passed
201: ok 8012 # correct SSSR count
201: ok 8013 # ring membership passed
201: ok 8014 # correct SSSR count
201: ok 8015 # ring membership passed
201: ok 8016 # correct SSSR count
201: ok 8017 # ring membership passed
201: ok 8018 # correct SSSR count
201: ok 8019 # ring membership passed
201: ok 8020 # correct ring bond data
201: ok 8021 # correct ring bond data
201: ok 8022 # correct ring bond data
201: ok 8023 # correct ring bond data
201: ok 8024 # correct ring bond data
201: ok 8025 # correct ring bond data
201: ok 8026 # correct ring bond data
201: ok 8027 # correct ring bond data
201: ok 8028 # correct ring bond data
201: ok 8029 # correct ring bond data
201: ok 8030 # correct ring bond data
201: ok 8031 # correct ring bond data
201: ok 8032 # correct ring bond data
201: ok 8033 # correct ring bond data
201: ok 8034 # correct ring bond data
201: ok 8035 # correct ring bond data
201: ok 8036 # correct ring bond data
201: ok 8037 # correct ring bond data
201: ok 8038 # correct ring bond data
201: ok 8039 # correct ring bond data
201: ok 8040 # correct ring bond data
201: ok 8041 # correct ring bond data
201: ok 8042 # correct ring bond data
201: ok 8043 # correct ring bond data
201: ok 8044 # correct ring bond data
201: ok 8045 # SSSR size matches reference
201: ok 8046 # correct SSSR count
201: ok 8047 # ring membership passed
201: ok 8048 # correct SSSR count
201: ok 8049 # ring membership passed
201: ok 8050 # correct SSSR count
201: ok 8051 # ring membership passed
201: ok 8052 # correct SSSR count
201: ok 8053 # ring membership passed
201: ok 8054 # correct SSSR count
201: ok 8055 # ring membership passed
201: ok 8056 # correct SSSR count
201: ok 8057 # ring membership passed
201: ok 8058 # correct SSSR count
201: ok 8059 # ring membership passed
201: ok 8060 # correct SSSR count
201: ok 8061 # ring membership passed
201: ok 8062 # correct SSSR count
201: ok 8063 # ring membership passed
201: ok 8064 # correct SSSR count
201: ok 8065 # ring membership passed
201: ok 8066 # correct SSSR count
201: ok 8067 # ring membership passed
201: ok 8068 # correct SSSR count
201: ok 8069 # ring membership passed
201: ok 8070 # correct SSSR count
201: ok 8071 # ring membership passed
201: ok 8072 # correct SSSR count
201: ok 8073 # ring membership passed
201: ok 8074 # correct SSSR count
201: ok 8075 # ring membership passed
201: ok 8076 # correct SSSR count
201: ok 8077 # ring membership passed
201: ok 8078 # correct SSSR count
201: ok 8079 # ring membership passed
201: ok 8080 # correct SSSR count
201: ok 8081 # ring membership passed
201: ok 8082 # correct SSSR count
201: ok 8083 # ring membership passed
201: ok 8084 # correct SSSR count
201: ok 8085 # ring membership passed
201: ok 8086 # correct SSSR count
201: ok 8087 # ring membership passed
201: ok 8088 # correct SSSR count
201: ok 8089 # ring membership passed
201: ok 8090 # correct SSSR count
201: ok 8091 # ring membership passed
201: ok 8092 # correct SSSR count
201: ok 8093 # ring membership passed
201: ok 8094 # correct ring bond data
201: ok 8095 # correct ring bond data
201: ok 8096 # correct ring bond data
201: ok 8097 # correct ring bond data
201: ok 8098 # correct ring bond data
201: ok 8099 # correct ring bond data
201: ok 8100 # correct ring bond data
201: ok 8101 # correct ring bond data
201: ok 8102 # correct ring bond data
201: ok 8103 # correct ring bond data
201: ok 8104 # correct ring bond data
201: ok 8105 # correct ring bond data
201: ok 8106 # correct ring bond data
201: ok 8107 # correct ring bond data
201: ok 8108 # correct ring bond data
201: ok 8109 # correct ring bond data
201: ok 8110 # correct ring bond data
201: ok 8111 # correct ring bond data
201: ok 8112 # correct ring bond data
201: ok 8113 # correct ring bond data
201: ok 8114 # correct ring bond data
201: ok 8115 # correct ring bond data
201: ok 8116 # correct ring bond data
201: ok 8117 # correct ring bond data
201: ok 8118 # correct ring bond data
201: ok 8119 # correct ring bond data
201: ok 8120 # SSSR size matches reference
201: ok 8121 # correct SSSR count
201: ok 8122 # ring membership passed
201: ok 8123 # correct SSSR count
201: ok 8124 # ring membership passed
201: ok 8125 # correct SSSR count
201: ok 8126 # ring membership passed
201: ok 8127 # correct SSSR count
201: ok 8128 # ring membership passed
201: ok 8129 # correct SSSR count
201: ok 8130 # ring membership passed
201: ok 8131 # correct SSSR count
201: ok 8132 # ring membership passed
201: ok 8133 # correct SSSR count
201: ok 8134 # ring membership passed
201: ok 8135 # correct SSSR count
201: ok 8136 # ring membership passed
201: ok 8137 # correct SSSR count
201: ok 8138 # ring membership passed
201: ok 8139 # correct SSSR count
201: ok 8140 # ring membership passed
201: ok 8141 # correct SSSR count
201: ok 8142 # ring membership passed
201: ok 8143 # correct SSSR count
201: ok 8144 # ring membership passed
201: ok 8145 # correct SSSR count
201: ok 8146 # ring membership passed
201: ok 8147 # correct SSSR count
201: ok 8148 # ring membership passed
201: ok 8149 # correct SSSR count
201: ok 8150 # ring membership passed
201: ok 8151 # correct SSSR count
201: ok 8152 # ring membership passed
201: ok 8153 # correct SSSR count
201: ok 8154 # ring membership passed
201: ok 8155 # correct SSSR count
201: ok 8156 # ring membership passed
201: ok 8157 # correct SSSR count
201: ok 8158 # ring membership passed
201: ok 8159 # correct SSSR count
201: ok 8160 # ring membership passed
201: ok 8161 # correct SSSR count
201: ok 8162 # ring membership passed
201: ok 8163 # correct SSSR count
201: ok 8164 # ring membership passed
201: ok 8165 # correct SSSR count
201: ok 8166 # ring membership passed
201: ok 8167 # correct SSSR count
201: ok 8168 # ring membership passed
201: ok 8169 # correct SSSR count
201: ok 8170 # ring membership passed
201: ok 8171 # correct ring bond data
201: ok 8172 # correct ring bond data
201: ok 8173 # correct ring bond data
201: ok 8174 # correct ring bond data
201: ok 8175 # correct ring bond data
201: ok 8176 # correct ring bond data
201: ok 8177 # correct ring bond data
201: ok 8178 # correct ring bond data
201: ok 8179 # correct ring bond data
201: ok 8180 # correct ring bond data
201: ok 8181 # correct ring bond data
201: ok 8182 # correct ring bond data
201: ok 8183 # correct ring bond data
201: ok 8184 # correct ring bond data
201: ok 8185 # correct ring bond data
201: ok 8186 # correct ring bond data
201: ok 8187 # correct ring bond data
201: ok 8188 # correct ring bond data
201: ok 8189 # correct ring bond data
201: ok 8190 # correct ring bond data
201: ok 8191 # correct ring bond data
201: ok 8192 # correct ring bond data
201: ok 8193 # correct ring bond data
201: ok 8194 # correct ring bond data
201: ok 8195 # SSSR size matches reference
201: ok 8196 # correct SSSR count
201: ok 8197 # ring membership passed
201: ok 8198 # correct SSSR count
201: ok 8199 # ring membership passed
201: ok 8200 # correct SSSR count
201: ok 8201 # ring membership passed
201: ok 8202 # correct SSSR count
201: ok 8203 # ring membership passed
201: ok 8204 # correct SSSR count
201: ok 8205 # ring membership passed
201: ok 8206 # correct SSSR count
201: ok 8207 # ring membership passed
201: ok 8208 # correct SSSR count
201: ok 8209 # ring membership passed
201: ok 8210 # correct SSSR count
201: ok 8211 # ring membership passed
201: ok 8212 # correct SSSR count
201: ok 8213 # ring membership passed
201: ok 8214 # correct SSSR count
201: ok 8215 # ring membership passed
201: ok 8216 # correct SSSR count
201: ok 8217 # ring membership passed
201: ok 8218 # correct SSSR count
201: ok 8219 # ring membership passed
201: ok 8220 # correct SSSR count
201: ok 8221 # ring membership passed
201: ok 8222 # correct SSSR count
201: ok 8223 # ring membership passed
201: ok 8224 # correct SSSR count
201: ok 8225 # ring membership passed
201: ok 8226 # correct SSSR count
201: ok 8227 # ring membership passed
201: ok 8228 # correct SSSR count
201: ok 8229 # ring membership passed
201: ok 8230 # correct SSSR count
201: ok 8231 # ring membership passed
201: ok 8232 # correct SSSR count
201: ok 8233 # ring membership passed
201: ok 8234 # correct SSSR count
201: ok 8235 # ring membership passed
201: ok 8236 # correct SSSR count
201: ok 8237 # ring membership passed
201: ok 8238 # correct SSSR count
201: ok 8239 # ring membership passed
201: ok 8240 # correct SSSR count
201: ok 8241 # ring membership passed
201: ok 8242 # correct ring bond data
201: ok 8243 # correct ring bond data
201: ok 8244 # correct ring bond data
201: ok 8245 # correct ring bond data
201: ok 8246 # correct ring bond data
201: ok 8247 # correct ring bond data
201: ok 8248 # correct ring bond data
201: ok 8249 # correct ring bond data
201: ok 8250 # correct ring bond data
201: ok 8251 # correct ring bond data
201: ok 8252 # correct ring bond data
201: ok 8253 # correct ring bond data
201: ok 8254 # correct ring bond data
201: ok 8255 # correct ring bond data
201: ok 8256 # correct ring bond data
201: ok 8257 # correct ring bond data
201: ok 8258 # correct ring bond data
201: ok 8259 # correct ring bond data
201: ok 8260 # correct ring bond data
201: ok 8261 # SSSR size matches reference
201: ok 8262 # correct SSSR count
201: ok 8263 # ring membership passed
201: ok 8264 # correct SSSR count
201: ok 8265 # ring membership passed
201: ok 8266 # correct SSSR count
201: ok 8267 # ring membership passed
201: ok 8268 # correct SSSR count
201: ok 8269 # ring membership passed
201: ok 8270 # correct SSSR count
201: ok 8271 # ring membership passed
201: ok 8272 # correct SSSR count
201: ok 8273 # ring membership passed
201: ok 8274 # correct SSSR count
201: ok 8275 # ring membership passed
201: ok 8276 # correct SSSR count
201: ok 8277 # ring membership passed
201: ok 8278 # correct SSSR count
201: ok 8279 # ring membership passed
201: ok 8280 # correct SSSR count
201: ok 8281 # ring membership passed
201: ok 8282 # correct SSSR count
201: ok 8283 # ring membership passed
201: ok 8284 # correct SSSR count
201: ok 8285 # ring membership passed
201: ok 8286 # correct SSSR count
201: ok 8287 # ring membership passed
201: ok 8288 # correct SSSR count
201: ok 8289 # ring membership passed
201: ok 8290 # correct SSSR count
201: ok 8291 # ring membership passed
201: ok 8292 # correct SSSR count
201: ok 8293 # ring membership passed
201: ok 8294 # correct SSSR count
201: ok 8295 # ring membership passed
201: ok 8296 # correct SSSR count
201: ok 8297 # ring membership passed
201: ok 8298 # correct ring bond data
201: ok 8299 # correct ring bond data
201: ok 8300 # correct ring bond data
201: ok 8301 # correct ring bond data
201: ok 8302 # correct ring bond data
201: ok 8303 # correct ring bond data
201: ok 8304 # correct ring bond data
201: ok 8305 # correct ring bond data
201: ok 8306 # correct ring bond data
201: ok 8307 # correct ring bond data
201: ok 8308 # correct ring bond data
201: ok 8309 # correct ring bond data
201: ok 8310 # correct ring bond data
201: ok 8311 # correct ring bond data
201: ok 8312 # correct ring bond data
201: ok 8313 # correct ring bond data
201: ok 8314 # correct ring bond data
201: ok 8315 # correct ring bond data
201: ok 8316 # correct ring bond data
201: ok 8317 # SSSR size matches reference
201: ok 8318 # correct SSSR count
201: ok 8319 # ring membership passed
201: ok 8320 # correct SSSR count
201: ok 8321 # ring membership passed
201: ok 8322 # correct SSSR count
201: ok 8323 # ring membership passed
201: ok 8324 # correct SSSR count
201: ok 8325 # ring membership passed
201: ok 8326 # correct SSSR count
201: ok 8327 # ring membership passed
201: ok 8328 # correct SSSR count
201: ok 8329 # ring membership passed
201: ok 8330 # correct SSSR count
201: ok 8331 # ring membership passed
201: ok 8332 # correct SSSR count
201: ok 8333 # ring membership passed
201: ok 8334 # correct SSSR count
201: ok 8335 # ring membership passed
201: ok 8336 # correct SSSR count
201: ok 8337 # ring membership passed
201: ok 8338 # correct SSSR count
201: ok 8339 # ring membership passed
201: ok 8340 # correct SSSR count
201: ok 8341 # ring membership passed
201: ok 8342 # correct SSSR count
201: ok 8343 # ring membership passed
201: ok 8344 # correct SSSR count
201: ok 8345 # ring membership passed
201: ok 8346 # correct SSSR count
201: ok 8347 # ring membership passed
201: ok 8348 # correct SSSR count
201: ok 8349 # ring membership passed
201: ok 8350 # correct SSSR count
201: ok 8351 # ring membership passed
201: ok 8352 # correct SSSR count
201: ok 8353 # ring membership passed
201: ok 8354 # correct ring bond data
201: ok 8355 # correct ring bond data
201: ok 8356 # correct ring bond data
201: ok 8357 # correct ring bond data
201: ok 8358 # correct ring bond data
201: ok 8359 # correct ring bond data
201: ok 8360 # correct ring bond data
201: ok 8361 # correct ring bond data
201: ok 8362 # correct ring bond data
201: ok 8363 # correct ring bond data
201: ok 8364 # correct ring bond data
201: ok 8365 # correct ring bond data
201: ok 8366 # correct ring bond data
201: ok 8367 # correct ring bond data
201: ok 8368 # correct ring bond data
201: ok 8369 # correct ring bond data
201: ok 8370 # correct ring bond data
201: ok 8371 # correct ring bond data
201: ok 8372 # correct ring bond data
201: ok 8373 # correct ring bond data
201: ok 8374 # correct ring bond data
201: ok 8375 # SSSR size matches reference
201: ok 8376 # correct SSSR count
201: ok 8377 # ring membership passed
201: ok 8378 # correct SSSR count
201: ok 8379 # ring membership passed
201: ok 8380 # correct SSSR count
201: ok 8381 # ring membership passed
201: ok 8382 # correct SSSR count
201: ok 8383 # ring membership passed
201: ok 8384 # correct SSSR count
201: ok 8385 # ring membership passed
201: ok 8386 # correct SSSR count
201: ok 8387 # ring membership passed
201: ok 8388 # correct SSSR count
201: ok 8389 # ring membership passed
201: ok 8390 # correct SSSR count
201: ok 8391 # ring membership passed
201: ok 8392 # correct SSSR count
201: ok 8393 # ring membership passed
201: ok 8394 # correct SSSR count
201: ok 8395 # ring membership passed
201: ok 8396 # correct SSSR count
201: ok 8397 # ring membership passed
201: ok 8398 # correct SSSR count
201: ok 8399 # ring membership passed
201: ok 8400 # correct SSSR count
201: ok 8401 # ring membership passed
201: ok 8402 # correct SSSR count
201: ok 8403 # ring membership passed
201: ok 8404 # correct SSSR count
201: ok 8405 # ring membership passed
201: ok 8406 # correct SSSR count
201: ok 8407 # ring membership passed
201: ok 8408 # correct SSSR count
201: ok 8409 # ring membership passed
201: ok 8410 # correct SSSR count
201: ok 8411 # ring membership passed
201: ok 8412 # correct SSSR count
201: ok 8413 # ring membership passed
201: ok 8414 # correct SSSR count
201: ok 8415 # ring membership passed
201: ok 8416 # correct ring bond data
201: ok 8417 # correct ring bond data
201: ok 8418 # correct ring bond data
201: ok 8419 # correct ring bond data
201: ok 8420 # correct ring bond data
201: ok 8421 # correct ring bond data
201: ok 8422 # correct ring bond data
201: ok 8423 # correct ring bond data
201: ok 8424 # correct ring bond data
201: ok 8425 # correct ring bond data
201: ok 8426 # correct ring bond data
201: ok 8427 # correct ring bond data
201: ok 8428 # correct ring bond data
201: ok 8429 # SSSR size matches reference
201: ok 8430 # correct SSSR count
201: ok 8431 # ring membership passed
201: ok 8432 # correct SSSR count
201: ok 8433 # ring membership passed
201: ok 8434 # correct SSSR count
201: ok 8435 # ring membership passed
201: ok 8436 # correct SSSR count
201: ok 8437 # ring membership passed
201: ok 8438 # correct SSSR count
201: ok 8439 # ring membership passed
201: ok 8440 # correct SSSR count
201: ok 8441 # ring membership passed
201: ok 8442 # correct SSSR count
201: ok 8443 # ring membership passed
201: ok 8444 # correct SSSR count
201: ok 8445 # ring membership passed
201: ok 8446 # correct SSSR count
201: ok 8447 # ring membership passed
201: ok 8448 # correct SSSR count
201: ok 8449 # ring membership passed
201: ok 8450 # correct SSSR count
201: ok 8451 # ring membership passed
201: ok 8452 # correct SSSR count
201: ok 8453 # ring membership passed
201: ok 8454 # correct SSSR count
201: ok 8455 # ring membership passed
201: ok 8456 # correct ring bond data
201: ok 8457 # correct ring bond data
201: ok 8458 # correct ring bond data
201: ok 8459 # correct ring bond data
201: ok 8460 # correct ring bond data
201: ok 8461 # correct ring bond data
201: ok 8462 # correct ring bond data
201: ok 8463 # correct ring bond data
201: ok 8464 # correct ring bond data
201: ok 8465 # correct ring bond data
201: ok 8466 # correct ring bond data
201: ok 8467 # correct ring bond data
201: ok 8468 # correct ring bond data
201: ok 8469 # correct ring bond data
201: ok 8470 # correct ring bond data
201: ok 8471 # correct ring bond data
201: ok 8472 # correct ring bond data
201: ok 8473 # correct ring bond data
201: ok 8474 # correct ring bond data
201: ok 8475 # SSSR size matches reference
201: ok 8476 # correct SSSR count
201: ok 8477 # ring membership passed
201: ok 8478 # correct SSSR count
201: ok 8479 # ring membership passed
201: ok 8480 # correct SSSR count
201: ok 8481 # ring membership passed
201: ok 8482 # correct SSSR count
201: ok 8483 # ring membership passed
201: ok 8484 # correct SSSR count
201: ok 8485 # ring membership passed
201: ok 8486 # correct SSSR count
201: ok 8487 # ring membership passed
201: ok 8488 # correct SSSR count
201: ok 8489 # ring membership passed
201: ok 8490 # correct SSSR count
201: ok 8491 # ring membership passed
201: ok 8492 # correct SSSR count
201: ok 8493 # ring membership passed
201: ok 8494 # correct SSSR count
201: ok 8495 # ring membership passed
201: ok 8496 # correct SSSR count
201: ok 8497 # ring membership passed
201: ok 8498 # correct SSSR count
201: ok 8499 # ring membership passed
201: ok 8500 # correct SSSR count
201: ok 8501 # ring membership passed
201: ok 8502 # correct SSSR count
201: ok 8503 # ring membership passed
201: ok 8504 # correct SSSR count
201: ok 8505 # ring membership passed
201: ok 8506 # correct SSSR count
201: ok 8507 # ring membership passed
201: ok 8508 # correct SSSR count
201: ok 8509 # ring membership passed
201: ok 8510 # correct SSSR count
201: ok 8511 # ring membership passed
201: ok 8512 # correct ring bond data
201: ok 8513 # correct ring bond data
201: ok 8514 # correct ring bond data
201: ok 8515 # correct ring bond data
201: ok 8516 # correct ring bond data
201: ok 8517 # correct ring bond data
201: ok 8518 # correct ring bond data
201: ok 8519 # correct ring bond data
201: ok 8520 # correct ring bond data
201: ok 8521 # correct ring bond data
201: ok 8522 # correct ring bond data
201: ok 8523 # correct ring bond data
201: ok 8524 # correct ring bond data
201: ok 8525 # correct ring bond data
201: ok 8526 # correct ring bond data
201: ok 8527 # correct ring bond data
201: ok 8528 # SSSR size matches reference
201: ok 8529 # correct SSSR count
201: ok 8530 # ring membership passed
201: ok 8531 # correct SSSR count
201: ok 8532 # ring membership passed
201: ok 8533 # correct SSSR count
201: ok 8534 # ring membership passed
201: ok 8535 # correct SSSR count
201: ok 8536 # ring membership passed
201: ok 8537 # correct SSSR count
201: ok 8538 # ring membership passed
201: ok 8539 # correct SSSR count
201: ok 8540 # ring membership passed
201: ok 8541 # correct SSSR count
201: ok 8542 # ring membership passed
201: ok 8543 # correct SSSR count
201: ok 8544 # ring membership passed
201: ok 8545 # correct SSSR count
201: ok 8546 # ring membership passed
201: ok 8547 # correct SSSR count
201: ok 8548 # ring membership passed
201: ok 8549 # correct SSSR count
201: ok 8550 # ring membership passed
201: ok 8551 # correct SSSR count
201: ok 8552 # ring membership passed
201: ok 8553 # correct SSSR count
201: ok 8554 # ring membership passed
201: ok 8555 # correct SSSR count
201: ok 8556 # ring membership passed
201: ok 8557 # correct SSSR count
201: ok 8558 # ring membership passed
201: ok 8559 # correct ring bond data
201: ok 8560 # correct ring bond data
201: ok 8561 # correct ring bond data
201: ok 8562 # correct ring bond data
201: ok 8563 # correct ring bond data
201: ok 8564 # correct ring bond data
201: ok 8565 # correct ring bond data
201: ok 8566 # correct ring bond data
201: ok 8567 # correct ring bond data
201: ok 8568 # correct ring bond data
201: ok 8569 # correct ring bond data
201: ok 8570 # correct ring bond data
201: ok 8571 # correct ring bond data
201: ok 8572 # correct ring bond data
201: ok 8573 # correct ring bond data
201: ok 8574 # correct ring bond data
201: ok 8575 # correct ring bond data
201: ok 8576 # correct ring bond data
201: ok 8577 # correct ring bond data
201: ok 8578 # SSSR size matches reference
201: ok 8579 # correct SSSR count
201: ok 8580 # ring membership passed
201: ok 8581 # correct SSSR count
201: ok 8582 # ring membership passed
201: ok 8583 # correct SSSR count
201: ok 8584 # ring membership passed
201: ok 8585 # correct SSSR count
201: ok 8586 # ring membership passed
201: ok 8587 # correct SSSR count
201: ok 8588 # ring membership passed
201: ok 8589 # correct SSSR count
201: ok 8590 # ring membership passed
201: ok 8591 # correct SSSR count
201: ok 8592 # ring membership passed
201: ok 8593 # correct SSSR count
201: ok 8594 # ring membership passed
201: ok 8595 # correct SSSR count
201: ok 8596 # ring membership passed
201: ok 8597 # correct SSSR count
201: ok 8598 # ring membership passed
201: ok 8599 # correct SSSR count
201: ok 8600 # ring membership passed
201: ok 8601 # correct SSSR count
201: ok 8602 # ring membership passed
201: ok 8603 # correct SSSR count
201: ok 8604 # ring membership passed
201: ok 8605 # correct SSSR count
201: ok 8606 # ring membership passed
201: ok 8607 # correct SSSR count
201: ok 8608 # ring membership passed
201: ok 8609 # correct SSSR count
201: ok 8610 # ring membership passed
201: ok 8611 # correct SSSR count
201: ok 8612 # ring membership passed
201: ok 8613 # correct SSSR count
201: ok 8614 # ring membership passed
201: ok 8615 # correct ring bond data
201: ok 8616 # correct ring bond data
201: ok 8617 # correct ring bond data
201: ok 8618 # correct ring bond data
201: ok 8619 # correct ring bond data
201: ok 8620 # correct ring bond data
201: ok 8621 # correct ring bond data
201: ok 8622 # correct ring bond data
201: ok 8623 # correct ring bond data
201: ok 8624 # correct ring bond data
201: ok 8625 # correct ring bond data
201: ok 8626 # correct ring bond data
201: ok 8627 # correct ring bond data
201: ok 8628 # correct ring bond data
201: ok 8629 # correct ring bond data
201: ok 8630 # correct ring bond data
201: ok 8631 # correct ring bond data
201: ok 8632 # correct ring bond data
201: ok 8633 # correct ring bond data
201: ok 8634 # correct ring bond data
201: ok 8635 # correct ring bond data
201: ok 8636 # correct ring bond data
201: ok 8637 # correct ring bond data
201: ok 8638 # correct ring bond data
201: ok 8639 # correct ring bond data
201: ok 8640 # correct ring bond data
201: ok 8641 # SSSR size matches reference
201: ok 8642 # correct SSSR count
201: ok 8643 # ring membership passed
201: ok 8644 # correct SSSR count
201: ok 8645 # ring membership passed
201: ok 8646 # correct SSSR count
201: ok 8647 # ring membership passed
201: ok 8648 # correct SSSR count
201: ok 8649 # ring membership passed
201: ok 8650 # correct SSSR count
201: ok 8651 # ring membership passed
201: ok 8652 # correct SSSR count
201: ok 8653 # ring membership passed
201: ok 8654 # correct SSSR count
201: ok 8655 # ring membership passed
201: ok 8656 # correct SSSR count
201: ok 8657 # ring membership passed
201: ok 8658 # correct SSSR count
201: ok 8659 # ring membership passed
201: ok 8660 # correct SSSR count
201: ok 8661 # ring membership passed
201: ok 8662 # correct SSSR count
201: ok 8663 # ring membership passed
201: ok 8664 # correct SSSR count
201: ok 8665 # ring membership passed
201: ok 8666 # correct SSSR count
201: ok 8667 # ring membership passed
201: ok 8668 # correct SSSR count
201: ok 8669 # ring membership passed
201: ok 8670 # correct SSSR count
201: ok 8671 # ring membership passed
201: ok 8672 # correct SSSR count
201: ok 8673 # ring membership passed
201: ok 8674 # correct SSSR count
201: ok 8675 # ring membership passed
201: ok 8676 # correct SSSR count
201: ok 8677 # ring membership passed
201: ok 8678 # correct SSSR count
201: ok 8679 # ring membership passed
201: ok 8680 # correct SSSR count
201: ok 8681 # ring membership passed
201: ok 8682 # correct SSSR count
201: ok 8683 # ring membership passed
201: ok 8684 # correct SSSR count
201: ok 8685 # ring membership passed
201: ok 8686 # correct SSSR count
201: ok 8687 # ring membership passed
201: ok 8688 # correct SSSR count
201: ok 8689 # ring membership passed
201: ok 8690 # correct ring bond data
201: ok 8691 # correct ring bond data
201: ok 8692 # correct ring bond data
201: ok 8693 # correct ring bond data
201: ok 8694 # correct ring bond data
201: ok 8695 # correct ring bond data
201: ok 8696 # correct ring bond data
201: ok 8697 # correct ring bond data
201: ok 8698 # correct ring bond data
201: ok 8699 # correct ring bond data
201: ok 8700 # correct ring bond data
201: ok 8701 # correct ring bond data
201: ok 8702 # correct ring bond data
201: ok 8703 # correct ring bond data
201: ok 8704 # correct ring bond data
201: ok 8705 # correct ring bond data
201: ok 8706 # correct ring bond data
201: ok 8707 # correct ring bond data
201: ok 8708 # correct ring bond data
201: ok 8709 # correct ring bond data
201: ok 8710 # correct ring bond data
201: ok 8711 # correct ring bond data
201: ok 8712 # correct ring bond data
201: ok 8713 # correct ring bond data
201: ok 8714 # correct ring bond data
201: ok 8715 # correct ring bond data
201: ok 8716 # correct ring bond data
201: ok 8717 # correct ring bond data
201: ok 8718 # correct ring bond data
201: ok 8719 # correct ring bond data
201: ok 8720 # correct ring bond data
201: ok 8721 # correct ring bond data
201: ok 8722 # correct ring bond data
201: ok 8723 # correct ring bond data
201: ok 8724 # SSSR size matches reference
201: ok 8725 # correct SSSR count
201: ok 8726 # ring membership passed
201: ok 8727 # correct SSSR count
201: ok 8728 # ring membership passed
201: ok 8729 # correct SSSR count
201: ok 8730 # ring membership passed
201: ok 8731 # correct SSSR count
201: ok 8732 # ring membership passed
201: ok 8733 # correct SSSR count
201: ok 8734 # ring membership passed
201: ok 8735 # correct SSSR count
201: ok 8736 # ring membership passed
201: ok 8737 # correct SSSR count
201: ok 8738 # ring membership passed
201: ok 8739 # correct SSSR count
201: ok 8740 # ring membership passed
201: ok 8741 # correct SSSR count
201: ok 8742 # ring membership passed
201: ok 8743 # correct SSSR count
201: ok 8744 # ring membership passed
201: ok 8745 # correct SSSR count
201: ok 8746 # ring membership passed
201: ok 8747 # correct SSSR count
201: ok 8748 # ring membership passed
201: ok 8749 # correct SSSR count
201: ok 8750 # ring membership passed
201: ok 8751 # correct SSSR count
201: ok 8752 # ring membership passed
201: ok 8753 # correct SSSR count
201: ok 8754 # ring membership passed
201: ok 8755 # correct SSSR count
201: ok 8756 # ring membership passed
201: ok 8757 # correct SSSR count
201: ok 8758 # ring membership passed
201: ok 8759 # correct SSSR count
201: ok 8760 # ring membership passed
201: ok 8761 # correct SSSR count
201: ok 8762 # ring membership passed
201: ok 8763 # correct SSSR count
201: ok 8764 # ring membership passed
201: ok 8765 # correct SSSR count
201: ok 8766 # ring membership passed
201: ok 8767 # correct SSSR count
201: ok 8768 # ring membership passed
201: ok 8769 # correct SSSR count
201: ok 8770 # ring membership passed
201: ok 8771 # correct SSSR count
201: ok 8772 # ring membership passed
201: ok 8773 # correct SSSR count
201: ok 8774 # ring membership passed
201: ok 8775 # correct SSSR count
201: ok 8776 # ring membership passed
201: ok 8777 # correct SSSR count
201: ok 8778 # ring membership passed
201: ok 8779 # correct SSSR count
201: ok 8780 # ring membership passed
201: ok 8781 # correct SSSR count
201: ok 8782 # ring membership passed
201: ok 8783 # correct SSSR count
201: ok 8784 # ring membership passed
201: ok 8785 # correct SSSR count
201: ok 8786 # ring membership passed
201: ok 8787 # correct SSSR count
201: ok 8788 # ring membership passed
201: ok 8789 # correct ring bond data
201: ok 8790 # correct ring bond data
201: ok 8791 # correct ring bond data
201: ok 8792 # correct ring bond data
201: ok 8793 # correct ring bond data
201: ok 8794 # correct ring bond data
201: ok 8795 # correct ring bond data
201: ok 8796 # correct ring bond data
201: ok 8797 # correct ring bond data
201: ok 8798 # correct ring bond data
201: ok 8799 # correct ring bond data
201: ok 8800 # correct ring bond data
201: ok 8801 # correct ring bond data
201: ok 8802 # correct ring bond data
201: ok 8803 # correct ring bond data
201: ok 8804 # correct ring bond data
201: ok 8805 # correct ring bond data
201: ok 8806 # correct ring bond data
201: ok 8807 # correct ring bond data
201: ok 8808 # correct ring bond data
201: ok 8809 # correct ring bond data
201: ok 8810 # correct ring bond data
201: ok 8811 # correct ring bond data
201: ok 8812 # correct ring bond data
201: ok 8813 # correct ring bond data
201: ok 8814 # correct ring bond data
201: ok 8815 # correct ring bond data
201: ok 8816 # correct ring bond data
201: ok 8817 # correct ring bond data
201: ok 8818 # correct ring bond data
201: ok 8819 # correct ring bond data
201: ok 8820 # SSSR size matches reference
201: ok 8821 # correct SSSR count
201: ok 8822 # ring membership passed
201: ok 8823 # correct SSSR count
201: ok 8824 # ring membership passed
201: ok 8825 # correct SSSR count
201: ok 8826 # ring membership passed
201: ok 8827 # correct SSSR count
201: ok 8828 # ring membership passed
201: ok 8829 # correct SSSR count
201: ok 8830 # ring membership passed
201: ok 8831 # correct SSSR count
201: ok 8832 # ring membership passed
201: ok 8833 # correct SSSR count
201: ok 8834 # ring membership passed
201: ok 8835 # correct SSSR count
201: ok 8836 # ring membership passed
201: ok 8837 # correct SSSR count
201: ok 8838 # ring membership passed
201: ok 8839 # correct SSSR count
201: ok 8840 # ring membership passed
201: ok 8841 # correct SSSR count
201: ok 8842 # ring membership passed
201: ok 8843 # correct SSSR count
201: ok 8844 # ring membership passed
201: ok 8845 # correct SSSR count
201: ok 8846 # ring membership passed
201: ok 8847 # correct SSSR count
201: ok 8848 # ring membership passed
201: ok 8849 # correct SSSR count
201: ok 8850 # ring membership passed
201: ok 8851 # correct SSSR count
201: ok 8852 # ring membership passed
201: ok 8853 # correct SSSR count
201: ok 8854 # ring membership passed
201: ok 8855 # correct SSSR count
201: ok 8856 # ring membership passed
201: ok 8857 # correct SSSR count
201: ok 8858 # ring membership passed
201: ok 8859 # correct SSSR count
201: ok 8860 # ring membership passed
201: ok 8861 # correct SSSR count
201: ok 8862 # ring membership passed
201: ok 8863 # correct SSSR count
201: ok 8864 # ring membership passed
201: ok 8865 # correct SSSR count
201: ok 8866 # ring membership passed
201: ok 8867 # correct SSSR count
201: ok 8868 # ring membership passed
201: ok 8869 # correct SSSR count
201: ok 8870 # ring membership passed
201: ok 8871 # correct SSSR count
201: ok 8872 # ring membership passed
201: ok 8873 # correct SSSR count
201: ok 8874 # ring membership passed
201: ok 8875 # correct SSSR count
201: ok 8876 # ring membership passed
201: ok 8877 # correct SSSR count
201: ok 8878 # ring membership passed
201: ok 8879 # correct ring bond data
201: ok 8880 # correct ring bond data
201: ok 8881 # correct ring bond data
201: ok 8882 # correct ring bond data
201: ok 8883 # correct ring bond data
201: ok 8884 # correct ring bond data
201: ok 8885 # correct ring bond data
201: ok 8886 # correct ring bond data
201: ok 8887 # correct ring bond data
201: ok 8888 # SSSR size matches reference
201: ok 8889 # correct SSSR count
201: ok 8890 # ring membership passed
201: ok 8891 # correct SSSR count
201: ok 8892 # ring membership passed
201: ok 8893 # correct SSSR count
201: ok 8894 # ring membership passed
201: ok 8895 # correct SSSR count
201: ok 8896 # ring membership passed
201: ok 8897 # correct SSSR count
201: ok 8898 # ring membership passed
201: ok 8899 # correct SSSR count
201: ok 8900 # ring membership passed
201: ok 8901 # correct SSSR count
201: ok 8902 # ring membership passed
201: ok 8903 # correct SSSR count
201: ok 8904 # ring membership passed
201: ok 8905 # correct SSSR count
201: ok 8906 # ring membership passed
201: ok 8907 # correct ring bond data
201: ok 8908 # correct ring bond data
201: ok 8909 # correct ring bond data
201: ok 8910 # correct ring bond data
201: ok 8911 # correct ring bond data
201: ok 8912 # correct ring bond data
201: ok 8913 # correct ring bond data
201: ok 8914 # correct ring bond data
201: ok 8915 # correct ring bond data
201: ok 8916 # correct ring bond data
201: ok 8917 # correct ring bond data
201: ok 8918 # correct ring bond data
201: ok 8919 # correct ring bond data
201: ok 8920 # correct ring bond data
201: ok 8921 # correct ring bond data
201: ok 8922 # correct ring bond data
201: ok 8923 # correct ring bond data
201: ok 8924 # correct ring bond data
201: ok 8925 # SSSR size matches reference
201: ok 8926 # correct SSSR count
201: ok 8927 # ring membership passed
201: ok 8928 # correct SSSR count
201: ok 8929 # ring membership passed
201: ok 8930 # correct SSSR count
201: ok 8931 # ring membership passed
201: ok 8932 # correct SSSR count
201: ok 8933 # ring membership passed
201: ok 8934 # correct SSSR count
201: ok 8935 # ring membership passed
201: ok 8936 # correct SSSR count
201: ok 8937 # ring membership passed
201: ok 8938 # correct SSSR count
201: ok 8939 # ring membership passed
201: ok 8940 # correct SSSR count
201: ok 8941 # ring membership passed
201: ok 8942 # correct SSSR count
201: ok 8943 # ring membership passed
201: ok 8944 # correct SSSR count
201: ok 8945 # ring membership passed
201: ok 8946 # correct SSSR count
201: ok 8947 # ring membership passed
201: ok 8948 # correct SSSR count
201: ok 8949 # ring membership passed
201: ok 8950 # correct SSSR count
201: ok 8951 # ring membership passed
201: ok 8952 # correct SSSR count
201: ok 8953 # ring membership passed
201: ok 8954 # correct SSSR count
201: ok 8955 # ring membership passed
201: ok 8956 # correct SSSR count
201: ok 8957 # ring membership passed
201: ok 8958 # correct SSSR count
201: ok 8959 # ring membership passed
201: ok 8960 # correct ring bond data
201: ok 8961 # correct ring bond data
201: ok 8962 # correct ring bond data
201: ok 8963 # correct ring bond data
201: ok 8964 # correct ring bond data
201: ok 8965 # correct ring bond data
201: ok 8966 # correct ring bond data
201: ok 8967 # correct ring bond data
201: ok 8968 # correct ring bond data
201: ok 8969 # correct ring bond data
201: ok 8970 # correct ring bond data
201: ok 8971 # correct ring bond data
201: ok 8972 # correct ring bond data
201: ok 8973 # correct ring bond data
201: ok 8974 # SSSR size matches reference
201: ok 8975 # correct SSSR count
201: ok 8976 # ring membership passed
201: ok 8977 # correct SSSR count
201: ok 8978 # ring membership passed
201: ok 8979 # correct SSSR count
201: ok 8980 # ring membership passed
201: ok 8981 # correct SSSR count
201: ok 8982 # ring membership passed
201: ok 8983 # correct SSSR count
201: ok 8984 # ring membership passed
201: ok 8985 # correct SSSR count
201: ok 8986 # ring membership passed
201: ok 8987 # correct SSSR count
201: ok 8988 # ring membership passed
201: ok 8989 # correct SSSR count
201: ok 8990 # ring membership passed
201: ok 8991 # correct SSSR count
201: ok 8992 # ring membership passed
201: ok 8993 # correct SSSR count
201: ok 8994 # ring membership passed
201: ok 8995 # correct SSSR count
201: ok 8996 # ring membership passed
201: ok 8997 # correct SSSR count
201: ok 8998 # ring membership passed
201: ok 8999 # correct SSSR count
201: ok 9000 # ring membership passed
201: ok 9001 # correct ring bond data
201: ok 9002 # correct ring bond data
201: ok 9003 # correct ring bond data
201: ok 9004 # correct ring bond data
201: ok 9005 # correct ring bond data
201: ok 9006 # correct ring bond data
201: ok 9007 # correct ring bond data
201: ok 9008 # correct ring bond data
201: ok 9009 # correct ring bond data
201: ok 9010 # correct ring bond data
201: ok 9011 # correct ring bond data
201: ok 9012 # correct ring bond data
201: ok 9013 # correct ring bond data
201: ok 9014 # correct ring bond data
201: ok 9015 # SSSR size matches reference
201: ok 9016 # correct SSSR count
201: ok 9017 # ring membership passed
201: ok 9018 # correct SSSR count
201: ok 9019 # ring membership passed
201: ok 9020 # correct SSSR count
201: ok 9021 # ring membership passed
201: ok 9022 # correct SSSR count
201: ok 9023 # ring membership passed
201: ok 9024 # correct SSSR count
201: ok 9025 # ring membership passed
201: ok 9026 # correct SSSR count
201: ok 9027 # ring membership passed
201: ok 9028 # correct SSSR count
201: ok 9029 # ring membership passed
201: ok 9030 # correct SSSR count
201: ok 9031 # ring membership passed
201: ok 9032 # correct SSSR count
201: ok 9033 # ring membership passed
201: ok 9034 # correct SSSR count
201: ok 9035 # ring membership passed
201: ok 9036 # correct SSSR count
201: ok 9037 # ring membership passed
201: ok 9038 # correct SSSR count
201: ok 9039 # ring membership passed
201: ok 9040 # correct SSSR count
201: ok 9041 # ring membership passed
201: ok 9042 # correct SSSR count
201: ok 9043 # ring membership passed
201: ok 9044 # correct ring bond data
201: ok 9045 # correct ring bond data
201: ok 9046 # correct ring bond data
201: ok 9047 # correct ring bond data
201: ok 9048 # correct ring bond data
201: ok 9049 # correct ring bond data
201: ok 9050 # correct ring bond data
201: ok 9051 # correct ring bond data
201: ok 9052 # correct ring bond data
201: ok 9053 # correct ring bond data
201: ok 9054 # correct ring bond data
201: ok 9055 # SSSR size matches reference
201: ok 9056 # correct SSSR count
201: ok 9057 # ring membership passed
201: ok 9058 # correct SSSR count
201: ok 9059 # ring membership passed
201: ok 9060 # correct SSSR count
201: ok 9061 # ring membership passed
201: ok 9062 # correct SSSR count
201: ok 9063 # ring membership passed
201: ok 9064 # correct SSSR count
201: ok 9065 # ring membership passed
201: ok 9066 # correct SSSR count
201: ok 9067 # ring membership passed
201: ok 9068 # correct SSSR count
201: ok 9069 # ring membership passed
201: ok 9070 # correct SSSR count
201: ok 9071 # ring membership passed
201: ok 9072 # correct SSSR count
201: ok 9073 # ring membership passed
201: ok 9074 # correct SSSR count
201: ok 9075 # ring membership passed
201: ok 9076 # correct SSSR count
201: ok 9077 # ring membership passed
201: ok 9078 # correct SSSR count
201: ok 9079 # ring membership passed
201: ok 9080 # correct ring bond data
201: ok 9081 # correct ring bond data
201: ok 9082 # correct ring bond data
201: ok 9083 # correct ring bond data
201: ok 9084 # correct ring bond data
201: ok 9085 # correct ring bond data
201: ok 9086 # correct ring bond data
201: ok 9087 # correct ring bond data
201: ok 9088 # correct ring bond data
201: ok 9089 # correct ring bond data
201: ok 9090 # correct ring bond data
201: ok 9091 # correct ring bond data
201: ok 9092 # correct ring bond data
201: ok 9093 # correct ring bond data
201: ok 9094 # correct ring bond data
201: ok 9095 # correct ring bond data
201: ok 9096 # correct ring bond data
201: ok 9097 # correct ring bond data
201: ok 9098 # correct ring bond data
201: ok 9099 # correct ring bond data
201: ok 9100 # correct ring bond data
201: ok 9101 # correct ring bond data
201: ok 9102 # correct ring bond data
201: ok 9103 # correct ring bond data
201: ok 9104 # correct ring bond data
201: ok 9105 # correct ring bond data
201: ok 9106 # correct ring bond data
201: ok 9107 # correct ring bond data
201: ok 9108 # correct ring bond data
201: ok 9109 # SSSR size matches reference
201: ok 9110 # correct SSSR count
201: ok 9111 # ring membership passed
201: ok 9112 # correct SSSR count
201: ok 9113 # ring membership passed
201: ok 9114 # correct SSSR count
201: ok 9115 # ring membership passed
201: ok 9116 # correct SSSR count
201: ok 9117 # ring membership passed
201: ok 9118 # correct SSSR count
201: ok 9119 # ring membership passed
201: ok 9120 # correct SSSR count
201: ok 9121 # ring membership passed
201: ok 9122 # correct SSSR count
201: ok 9123 # ring membership passed
201: ok 9124 # correct SSSR count
201: ok 9125 # ring membership passed
201: ok 9126 # correct SSSR count
201: ok 9127 # ring membership passed
201: ok 9128 # correct SSSR count
201: ok 9129 # ring membership passed
201: ok 9130 # correct SSSR count
201: ok 9131 # ring membership passed
201: ok 9132 # correct SSSR count
201: ok 9133 # ring membership passed
201: ok 9134 # correct SSSR count
201: ok 9135 # ring membership passed
201: ok 9136 # correct SSSR count
201: ok 9137 # ring membership passed
201: ok 9138 # correct SSSR count
201: ok 9139 # ring membership passed
201: ok 9140 # correct SSSR count
201: ok 9141 # ring membership passed
201: ok 9142 # correct SSSR count
201: ok 9143 # ring membership passed
201: ok 9144 # correct SSSR count
201: ok 9145 # ring membership passed
201: ok 9146 # correct SSSR count
201: ok 9147 # ring membership passed
201: ok 9148 # correct SSSR count
201: ok 9149 # ring membership passed
201: ok 9150 # correct SSSR count
201: ok 9151 # ring membership passed
201: ok 9152 # correct SSSR count
201: ok 9153 # ring membership passed
201: ok 9154 # correct SSSR count
201: ok 9155 # ring membership passed
201: ok 9156 # correct SSSR count
201: ok 9157 # ring membership passed
201: ok 9158 # correct SSSR count
201: ok 9159 # ring membership passed
201: ok 9160 # correct SSSR count
201: ok 9161 # ring membership passed
201: ok 9162 # correct SSSR count
201: ok 9163 # ring membership passed
201: ok 9164 # correct SSSR count
201: ok 9165 # ring membership passed
201: ok 9166 # correct ring bond data
201: ok 9167 # correct ring bond data
201: ok 9168 # correct ring bond data
201: ok 9169 # correct ring bond data
201: ok 9170 # correct ring bond data
201: ok 9171 # correct ring bond data
201: ok 9172 # correct ring bond data
201: ok 9173 # correct ring bond data
201: ok 9174 # correct ring bond data
201: ok 9175 # correct ring bond data
201: ok 9176 # correct ring bond data
201: ok 9177 # correct ring bond data
201: ok 9178 # correct ring bond data
201: ok 9179 # correct ring bond data
201: ok 9180 # correct ring bond data
201: ok 9181 # correct ring bond data
201: ok 9182 # correct ring bond data
201: ok 9183 # correct ring bond data
201: ok 9184 # correct ring bond data
201: ok 9185 # correct ring bond data
201: ok 9186 # correct ring bond data
201: ok 9187 # correct ring bond data
201: ok 9188 # correct ring bond data
201: ok 9189 # correct ring bond data
201: ok 9190 # correct ring bond data
201: ok 9191 # correct ring bond data
201: ok 9192 # correct ring bond data
201: ok 9193 # correct ring bond data
201: ok 9194 # correct ring bond data
201: ok 9195 # correct ring bond data
201: ok 9196 # correct ring bond data
201: ok 9197 # SSSR size matches reference
201: ok 9198 # correct SSSR count
201: ok 9199 # ring membership passed
201: ok 9200 # correct SSSR count
201: ok 9201 # ring membership passed
201: ok 9202 # correct SSSR count
201: ok 9203 # ring membership passed
201: ok 9204 # correct SSSR count
201: ok 9205 # ring membership passed
201: ok 9206 # correct SSSR count
201: ok 9207 # ring membership passed
201: ok 9208 # correct SSSR count
201: ok 9209 # ring membership passed
201: ok 9210 # correct SSSR count
201: ok 9211 # ring membership passed
201: ok 9212 # correct SSSR count
201: ok 9213 # ring membership passed
201: ok 9214 # correct SSSR count
201: ok 9215 # ring membership passed
201: ok 9216 # correct SSSR count
201: ok 9217 # ring membership passed
201: ok 9218 # correct SSSR count
201: ok 9219 # ring membership passed
201: ok 9220 # correct SSSR count
201: ok 9221 # ring membership passed
201: ok 9222 # correct SSSR count
201: ok 9223 # ring membership passed
201: ok 9224 # correct SSSR count
201: ok 9225 # ring membership passed
201: ok 9226 # correct SSSR count
201: ok 9227 # ring membership passed
201: ok 9228 # correct SSSR count
201: ok 9229 # ring membership passed
201: ok 9230 # correct SSSR count
201: ok 9231 # ring membership passed
201: ok 9232 # correct SSSR count
201: ok 9233 # ring membership passed
201: ok 9234 # correct SSSR count
201: ok 9235 # ring membership passed
201: ok 9236 # correct SSSR count
201: ok 9237 # ring membership passed
201: ok 9238 # correct SSSR count
201: ok 9239 # ring membership passed
201: ok 9240 # correct SSSR count
201: ok 9241 # ring membership passed
201: ok 9242 # correct SSSR count
201: ok 9243 # ring membership passed
201: ok 9244 # correct SSSR count
201: ok 9245 # ring membership passed
201: ok 9246 # correct SSSR count
201: ok 9247 # ring membership passed
201: ok 9248 # correct SSSR count
201: ok 9249 # ring membership passed
201: ok 9250 # correct SSSR count
201: ok 9251 # ring membership passed
201: ok 9252 # correct SSSR count
201: ok 9253 # ring membership passed
201: ok 9254 # correct ring bond data
201: ok 9255 # correct ring bond data
201: ok 9256 # correct ring bond data
201: ok 9257 # correct ring bond data
201: ok 9258 # correct ring bond data
201: ok 9259 # correct ring bond data
201: ok 9260 # correct ring bond data
201: ok 9261 # correct ring bond data
201: ok 9262 # correct ring bond data
201: ok 9263 # correct ring bond data
201: ok 9264 # correct ring bond data
201: ok 9265 # correct ring bond data
201: ok 9266 # correct ring bond data
201: ok 9267 # correct ring bond data
201: ok 9268 # correct ring bond data
201: ok 9269 # correct ring bond data
201: ok 9270 # correct ring bond data
201: ok 9271 # correct ring bond data
201: ok 9272 # correct ring bond data
201: ok 9273 # SSSR size matches reference
201: ok 9274 # correct SSSR count
201: ok 9275 # ring membership passed
201: ok 9276 # correct SSSR count
201: ok 9277 # ring membership passed
201: ok 9278 # correct SSSR count
201: ok 9279 # ring membership passed
201: ok 9280 # correct SSSR count
201: ok 9281 # ring membership passed
201: ok 9282 # correct SSSR count
201: ok 9283 # ring membership passed
201: ok 9284 # correct SSSR count
201: ok 9285 # ring membership passed
201: ok 9286 # correct SSSR count
201: ok 9287 # ring membership passed
201: ok 9288 # correct SSSR count
201: ok 9289 # ring membership passed
201: ok 9290 # correct SSSR count
201: ok 9291 # ring membership passed
201: ok 9292 # correct SSSR count
201: ok 9293 # ring membership passed
201: ok 9294 # correct SSSR count
201: ok 9295 # ring membership passed
201: ok 9296 # correct SSSR count
201: ok 9297 # ring membership passed
201: ok 9298 # correct SSSR count
201: ok 9299 # ring membership passed
201: ok 9300 # correct SSSR count
201: ok 9301 # ring membership passed
201: ok 9302 # correct SSSR count
201: ok 9303 # ring membership passed
201: ok 9304 # correct SSSR count
201: ok 9305 # ring membership passed
201: ok 9306 # correct SSSR count
201: ok 9307 # ring membership passed
201: ok 9308 # correct SSSR count
201: ok 9309 # ring membership passed
201: ok 9310 # correct SSSR count
201: ok 9311 # ring membership passed
201: ok 9312 # correct ring bond data
201: ok 9313 # correct ring bond data
201: ok 9314 # correct ring bond data
201: ok 9315 # correct ring bond data
201: ok 9316 # correct ring bond data
201: ok 9317 # correct ring bond data
201: ok 9318 # correct ring bond data
201: ok 9319 # correct ring bond data
201: ok 9320 # correct ring bond data
201: ok 9321 # correct ring bond data
201: ok 9322 # correct ring bond data
201: ok 9323 # correct ring bond data
201: ok 9324 # correct ring bond data
201: ok 9325 # correct ring bond data
201: ok 9326 # correct ring bond data
201: ok 9327 # correct ring bond data
201: ok 9328 # correct ring bond data
201: ok 9329 # correct ring bond data
201: ok 9330 # correct ring bond data
201: ok 9331 # correct ring bond data
201: ok 9332 # correct ring bond data
201: ok 9333 # correct ring bond data
201: ok 9334 # correct ring bond data
201: ok 9335 # correct ring bond data
201: ok 9336 # correct ring bond data
201: ok 9337 # SSSR size matches reference
201: ok 9338 # correct SSSR count
201: ok 9339 # ring membership passed
201: ok 9340 # correct SSSR count
201: ok 9341 # ring membership passed
201: ok 9342 # correct SSSR count
201: ok 9343 # ring membership passed
201: ok 9344 # correct SSSR count
201: ok 9345 # ring membership passed
201: ok 9346 # correct SSSR count
201: ok 9347 # ring membership passed
201: ok 9348 # correct SSSR count
201: ok 9349 # ring membership passed
201: ok 9350 # correct SSSR count
201: ok 9351 # ring membership passed
201: ok 9352 # correct SSSR count
201: ok 9353 # ring membership passed
201: ok 9354 # correct SSSR count
201: ok 9355 # ring membership passed
201: ok 9356 # correct SSSR count
201: ok 9357 # ring membership passed
201: ok 9358 # correct SSSR count
201: ok 9359 # ring membership passed
201: ok 9360 # correct SSSR count
201: ok 9361 # ring membership passed
201: ok 9362 # correct SSSR count
201: ok 9363 # ring membership passed
201: ok 9364 # correct SSSR count
201: ok 9365 # ring membership passed
201: ok 9366 # correct SSSR count
201: ok 9367 # ring membership passed
201: ok 9368 # correct SSSR count
201: ok 9369 # ring membership passed
201: ok 9370 # correct SSSR count
201: ok 9371 # ring membership passed
201: ok 9372 # correct SSSR count
201: ok 9373 # ring membership passed
201: ok 9374 # correct SSSR count
201: ok 9375 # ring membership passed
201: ok 9376 # correct SSSR count
201: ok 9377 # ring membership passed
201: ok 9378 # correct SSSR count
201: ok 9379 # ring membership passed
201: ok 9380 # correct SSSR count
201: ok 9381 # ring membership passed
201: ok 9382 # correct ring bond data
201: ok 9383 # correct ring bond data
201: ok 9384 # correct ring bond data
201: ok 9385 # correct ring bond data
201: ok 9386 # correct ring bond data
201: ok 9387 # correct ring bond data
201: ok 9388 # correct ring bond data
201: ok 9389 # correct ring bond data
201: ok 9390 # correct ring bond data
201: ok 9391 # correct ring bond data
201: ok 9392 # correct ring bond data
201: ok 9393 # correct ring bond data
201: ok 9394 # correct ring bond data
201: ok 9395 # correct ring bond data
201: ok 9396 # correct ring bond data
201: ok 9397 # correct ring bond data
201: ok 9398 # correct ring bond data
201: ok 9399 # correct ring bond data
201: ok 9400 # SSSR size matches reference
201: ok 9401 # correct SSSR count
201: ok 9402 # ring membership passed
201: ok 9403 # correct SSSR count
201: ok 9404 # ring membership passed
201: ok 9405 # correct SSSR count
201: ok 9406 # ring membership passed
201: ok 9407 # correct SSSR count
201: ok 9408 # ring membership passed
201: ok 9409 # correct SSSR count
201: ok 9410 # ring membership passed
201: ok 9411 # correct SSSR count
201: ok 9412 # ring membership passed
201: ok 9413 # correct SSSR count
201: ok 9414 # ring membership passed
201: ok 9415 # correct SSSR count
201: ok 9416 # ring membership passed
201: ok 9417 # correct SSSR count
201: ok 9418 # ring membership passed
201: ok 9419 # correct SSSR count
201: ok 9420 # ring membership passed
201: ok 9421 # correct SSSR count
201: ok 9422 # ring membership passed
201: ok 9423 # correct SSSR count
201: ok 9424 # ring membership passed
201: ok 9425 # correct SSSR count
201: ok 9426 # ring membership passed
201: ok 9427 # correct SSSR count
201: ok 9428 # ring membership passed
201: ok 9429 # correct SSSR count
201: ok 9430 # ring membership passed
201: ok 9431 # correct SSSR count
201: ok 9432 # ring membership passed
201: ok 9433 # correct SSSR count
201: ok 9434 # ring membership passed
201: ok 9435 # correct ring bond data
201: ok 9436 # correct ring bond data
201: ok 9437 # correct ring bond data
201: ok 9438 # correct ring bond data
201: ok 9439 # correct ring bond data
201: ok 9440 # correct ring bond data
201: ok 9441 # correct ring bond data
201: ok 9442 # correct ring bond data
201: ok 9443 # correct ring bond data
201: ok 9444 # correct ring bond data
201: ok 9445 # correct ring bond data
201: ok 9446 # correct ring bond data
201: ok 9447 # correct ring bond data
201: ok 9448 # correct ring bond data
201: ok 9449 # correct ring bond data
201: ok 9450 # correct ring bond data
201: ok 9451 # correct ring bond data
201: ok 9452 # correct ring bond data
201: ok 9453 # correct ring bond data
201: ok 9454 # correct ring bond data
201: ok 9455 # correct ring bond data
201: ok 9456 # correct ring bond data
201: ok 9457 # correct ring bond data
201: ok 9458 # correct ring bond data
201: ok 9459 # correct ring bond data
201: ok 9460 # correct ring bond data
201: ok 9461 # correct ring bond data
201: ok 9462 # SSSR size matches reference
201: ok 9463 # correct SSSR count
201: ok 9464 # ring membership passed
201: ok 9465 # correct SSSR count
201: ok 9466 # ring membership passed
201: ok 9467 # correct SSSR count
201: ok 9468 # ring membership passed
201: ok 9469 # correct SSSR count
201: ok 9470 # ring membership passed
201: ok 9471 # correct SSSR count
201: ok 9472 # ring membership passed
201: ok 9473 # correct SSSR count
201: ok 9474 # ring membership passed
201: ok 9475 # correct SSSR count
201: ok 9476 # ring membership passed
201: ok 9477 # correct SSSR count
201: ok 9478 # ring membership passed
201: ok 9479 # correct SSSR count
201: ok 9480 # ring membership passed
201: ok 9481 # correct SSSR count
201: ok 9482 # ring membership passed
201: ok 9483 # correct SSSR count
201: ok 9484 # ring membership passed
201: ok 9485 # correct SSSR count
201: ok 9486 # ring membership passed
201: ok 9487 # correct SSSR count
201: ok 9488 # ring membership passed
201: ok 9489 # correct SSSR count
201: ok 9490 # ring membership passed
201: ok 9491 # correct SSSR count
201: ok 9492 # ring membership passed
201: ok 9493 # correct SSSR count
201: ok 9494 # ring membership passed
201: ok 9495 # correct SSSR count
201: ok 9496 # ring membership passed
201: ok 9497 # correct SSSR count
201: ok 9498 # ring membership passed
201: ok 9499 # correct SSSR count
201: ok 9500 # ring membership passed
201: ok 9501 # correct SSSR count
201: ok 9502 # ring membership passed
201: ok 9503 # correct SSSR count
201: ok 9504 # ring membership passed
201: ok 9505 # correct SSSR count
201: ok 9506 # ring membership passed
201: ok 9507 # correct SSSR count
201: ok 9508 # ring membership passed
201: ok 9509 # correct SSSR count
201: ok 9510 # ring membership passed
201: ok 9511 # correct SSSR count
201: ok 9512 # ring membership passed
201: ok 9513 # correct ring bond data
201: ok 9514 # correct ring bond data
201: ok 9515 # correct ring bond data
201: ok 9516 # correct ring bond data
201: ok 9517 # correct ring bond data
201: ok 9518 # correct ring bond data
201: ok 9519 # correct ring bond data
201: ok 9520 # correct ring bond data
201: ok 9521 # correct ring bond data
201: ok 9522 # correct ring bond data
201: ok 9523 # correct ring bond data
201: ok 9524 # correct ring bond data
201: ok 9525 # correct ring bond data
201: ok 9526 # correct ring bond data
201: ok 9527 # correct ring bond data
201: ok 9528 # correct ring bond data
201: ok 9529 # correct ring bond data
201: ok 9530 # correct ring bond data
201: ok 9531 # correct ring bond data
201: ok 9532 # correct ring bond data
201: ok 9533 # correct ring bond data
201: ok 9534 # correct ring bond data
201: ok 9535 # correct ring bond data
201: ok 9536 # correct ring bond data
201: ok 9537 # SSSR size matches reference
201: ok 9538 # correct SSSR count
201: ok 9539 # ring membership passed
201: ok 9540 # correct SSSR count
201: ok 9541 # ring membership passed
201: ok 9542 # correct SSSR count
201: ok 9543 # ring membership passed
201: ok 9544 # correct SSSR count
201: ok 9545 # ring membership passed
201: ok 9546 # correct SSSR count
201: ok 9547 # ring membership passed
201: ok 9548 # correct SSSR count
201: ok 9549 # ring membership passed
201: ok 9550 # correct SSSR count
201: ok 9551 # ring membership passed
201: ok 9552 # correct SSSR count
201: ok 9553 # ring membership passed
201: ok 9554 # correct SSSR count
201: ok 9555 # ring membership passed
201: ok 9556 # correct SSSR count
201: ok 9557 # ring membership passed
201: ok 9558 # correct SSSR count
201: ok 9559 # ring membership passed
201: ok 9560 # correct SSSR count
201: ok 9561 # ring membership passed
201: ok 9562 # correct SSSR count
201: ok 9563 # ring membership passed
201: ok 9564 # correct SSSR count
201: ok 9565 # ring membership passed
201: ok 9566 # correct SSSR count
201: ok 9567 # ring membership passed
201: ok 9568 # correct SSSR count
201: ok 9569 # ring membership passed
201: ok 9570 # correct SSSR count
201: ok 9571 # ring membership passed
201: ok 9572 # correct SSSR count
201: ok 9573 # ring membership passed
201: ok 9574 # correct SSSR count
201: ok 9575 # ring membership passed
201: ok 9576 # correct SSSR count
201: ok 9577 # ring membership passed
201: ok 9578 # correct SSSR count
201: ok 9579 # ring membership passed
201: ok 9580 # correct SSSR count
201: ok 9581 # ring membership passed
201: ok 9582 # correct SSSR count
201: ok 9583 # ring membership passed
201: ok 9584 # correct ring bond data
201: ok 9585 # correct ring bond data
201: ok 9586 # correct ring bond data
201: ok 9587 # correct ring bond data
201: ok 9588 # correct ring bond data
201: ok 9589 # correct ring bond data
201: ok 9590 # correct ring bond data
201: ok 9591 # correct ring bond data
201: ok 9592 # correct ring bond data
201: ok 9593 # correct ring bond data
201: ok 9594 # correct ring bond data
201: ok 9595 # correct ring bond data
201: ok 9596 # correct ring bond data
201: ok 9597 # correct ring bond data
201: ok 9598 # correct ring bond data
201: ok 9599 # correct ring bond data
201: ok 9600 # correct ring bond data
201: ok 9601 # correct ring bond data
201: ok 9602 # correct ring bond data
201: ok 9603 # correct ring bond data
201: ok 9604 # correct ring bond data
201: ok 9605 # correct ring bond data
201: ok 9606 # correct ring bond data
201: ok 9607 # correct ring bond data
201: ok 9608 # SSSR size matches reference
201: ok 9609 # correct SSSR count
201: ok 9610 # ring membership passed
201: ok 9611 # correct SSSR count
201: ok 9612 # ring membership passed
201: ok 9613 # correct SSSR count
201: ok 9614 # ring membership passed
201: ok 9615 # correct SSSR count
201: ok 9616 # ring membership passed
201: ok 9617 # correct SSSR count
201: ok 9618 # ring membership passed
201: ok 9619 # correct SSSR count
201: ok 9620 # ring membership passed
201: ok 9621 # correct SSSR count
201: ok 9622 # ring membership passed
201: ok 9623 # correct SSSR count
201: ok 9624 # ring membership passed
201: ok 9625 # correct SSSR count
201: ok 9626 # ring membership passed
201: ok 9627 # correct SSSR count
201: ok 9628 # ring membership passed
201: ok 9629 # correct SSSR count
201: ok 9630 # ring membership passed
201: ok 9631 # correct SSSR count
201: ok 9632 # ring membership passed
201: ok 9633 # correct SSSR count
201: ok 9634 # ring membership passed
201: ok 9635 # correct SSSR count
201: ok 9636 # ring membership passed
201: ok 9637 # correct SSSR count
201: ok 9638 # ring membership passed
201: ok 9639 # correct SSSR count
201: ok 9640 # ring membership passed
201: ok 9641 # correct SSSR count
201: ok 9642 # ring membership passed
201: ok 9643 # correct SSSR count
201: ok 9644 # ring membership passed
201: ok 9645 # correct SSSR count
201: ok 9646 # ring membership passed
201: ok 9647 # correct SSSR count
201: ok 9648 # ring membership passed
201: ok 9649 # correct SSSR count
201: ok 9650 # ring membership passed
201: ok 9651 # correct SSSR count
201: ok 9652 # ring membership passed
201: ok 9653 # correct ring bond data
201: ok 9654 # correct ring bond data
201: ok 9655 # correct ring bond data
201: ok 9656 # correct ring bond data
201: ok 9657 # correct ring bond data
201: ok 9658 # correct ring bond data
201: ok 9659 # correct ring bond data
201: ok 9660 # correct ring bond data
201: ok 9661 # correct ring bond data
201: ok 9662 # correct ring bond data
201: ok 9663 # correct ring bond data
201: ok 9664 # correct ring bond data
201: ok 9665 # correct ring bond data
201: ok 9666 # correct ring bond data
201: ok 9667 # correct ring bond data
201: ok 9668 # correct ring bond data
201: ok 9669 # correct ring bond data
201: ok 9670 # correct ring bond data
201: ok 9671 # correct ring bond data
201: ok 9672 # correct ring bond data
201: ok 9673 # correct ring bond data
201: ok 9674 # correct ring bond data
201: ok 9675 # correct ring bond data
201: ok 9676 # correct ring bond data
201: ok 9677 # correct ring bond data
201: ok 9678 # correct ring bond data
201: ok 9679 # correct ring bond data
201: ok 9680 # correct ring bond data
201: ok 9681 # correct ring bond data
201: ok 9682 # SSSR size matches reference
201: ok 9683 # correct SSSR count
201: ok 9684 # ring membership passed
201: ok 9685 # correct SSSR count
201: ok 9686 # ring membership passed
201: ok 9687 # correct SSSR count
201: ok 9688 # ring membership passed
201: ok 9689 # correct SSSR count
201: ok 9690 # ring membership passed
201: ok 9691 # correct SSSR count
201: ok 9692 # ring membership passed
201: ok 9693 # correct SSSR count
201: ok 9694 # ring membership passed
201: ok 9695 # correct SSSR count
201: ok 9696 # ring membership passed
201: ok 9697 # correct SSSR count
201: ok 9698 # ring membership passed
201: ok 9699 # correct SSSR count
201: ok 9700 # ring membership passed
201: ok 9701 # correct SSSR count
201: ok 9702 # ring membership passed
201: ok 9703 # correct SSSR count
201: ok 9704 # ring membership passed
201: ok 9705 # correct SSSR count
201: ok 9706 # ring membership passed
201: ok 9707 # correct SSSR count
201: ok 9708 # ring membership passed
201: ok 9709 # correct SSSR count
201: ok 9710 # ring membership passed
201: ok 9711 # correct SSSR count
201: ok 9712 # ring membership passed
201: ok 9713 # correct SSSR count
201: ok 9714 # ring membership passed
201: ok 9715 # correct SSSR count
201: ok 9716 # ring membership passed
201: ok 9717 # correct SSSR count
201: ok 9718 # ring membership passed
201: ok 9719 # correct SSSR count
201: ok 9720 # ring membership passed
201: ok 9721 # correct SSSR count
201: ok 9722 # ring membership passed
201: ok 9723 # correct SSSR count
201: ok 9724 # ring membership passed
201: ok 9725 # correct SSSR count
201: ok 9726 # ring membership passed
201: ok 9727 # correct SSSR count
201: ok 9728 # ring membership passed
201: ok 9729 # correct SSSR count
201: ok 9730 # ring membership passed
201: ok 9731 # correct SSSR count
201: ok 9732 # ring membership passed
201: ok 9733 # correct SSSR count
201: ok 9734 # ring membership passed
201: ok 9735 # correct SSSR count
201: ok 9736 # ring membership passed
201: ok 9737 # correct ring bond data
201: ok 9738 # correct ring bond data
201: ok 9739 # correct ring bond data
201: ok 9740 # correct ring bond data
201: ok 9741 # correct ring bond data
201: ok 9742 # correct ring bond data
201: ok 9743 # correct ring bond data
201: ok 9744 # correct ring bond data
201: ok 9745 # correct ring bond data
201: ok 9746 # correct ring bond data
201: ok 9747 # correct ring bond data
201: ok 9748 # correct ring bond data
201: ok 9749 # correct ring bond data
201: ok 9750 # correct ring bond data
201: ok 9751 # correct ring bond data
201: ok 9752 # correct ring bond data
201: ok 9753 # correct ring bond data
201: ok 9754 # correct ring bond data
201: ok 9755 # correct ring bond data
201: ok 9756 # correct ring bond data
201: ok 9757 # correct ring bond data
201: ok 9758 # correct ring bond data
201: ok 9759 # correct ring bond data
201: ok 9760 # correct ring bond data
201: ok 9761 # correct ring bond data
201: ok 9762 # correct ring bond data
201: ok 9763 # correct ring bond data
201: ok 9764 # correct ring bond data
201: ok 9765 # correct ring bond data
201: ok 9766 # SSSR size matches reference
201: ok 9767 # correct SSSR count
201: ok 9768 # ring membership passed
201: ok 9769 # correct SSSR count
201: ok 9770 # ring membership passed
201: ok 9771 # correct SSSR count
201: ok 9772 # ring membership passed
201: ok 9773 # correct SSSR count
201: ok 9774 # ring membership passed
201: ok 9775 # correct SSSR count
201: ok 9776 # ring membership passed
201: ok 9777 # correct SSSR count
201: ok 9778 # ring membership passed
201: ok 9779 # correct SSSR count
201: ok 9780 # ring membership passed
201: ok 9781 # correct SSSR count
201: ok 9782 # ring membership passed
201: ok 9783 # correct SSSR count
201: ok 9784 # ring membership passed
201: ok 9785 # correct SSSR count
201: ok 9786 # ring membership passed
201: ok 9787 # correct SSSR count
201: ok 9788 # ring membership passed
201: ok 9789 # correct SSSR count
201: ok 9790 # ring membership passed
201: ok 9791 # correct SSSR count
201: ok 9792 # ring membership passed
201: ok 9793 # correct SSSR count
201: ok 9794 # ring membership passed
201: ok 9795 # correct SSSR count
201: ok 9796 # ring membership passed
201: ok 9797 # correct SSSR count
201: ok 9798 # ring membership passed
201: ok 9799 # correct SSSR count
201: ok 9800 # ring membership passed
201: ok 9801 # correct SSSR count
201: ok 9802 # ring membership passed
201: ok 9803 # correct SSSR count
201: ok 9804 # ring membership passed
201: ok 9805 # correct SSSR count
201: ok 9806 # ring membership passed
201: ok 9807 # correct SSSR count
201: ok 9808 # ring membership passed
201: ok 9809 # correct SSSR count
201: ok 9810 # ring membership passed
201: ok 9811 # correct SSSR count
201: ok 9812 # ring membership passed
201: ok 9813 # correct SSSR count
201: ok 9814 # ring membership passed
201: ok 9815 # correct SSSR count
201: ok 9816 # ring membership passed
201: ok 9817 # correct SSSR count
201: ok 9818 # ring membership passed
201: ok 9819 # correct SSSR count
201: ok 9820 # ring membership passed
201: ok 9821 # correct ring bond data
201: ok 9822 # correct ring bond data
201: ok 9823 # correct ring bond data
201: ok 9824 # correct ring bond data
201: ok 9825 # correct ring bond data
201: ok 9826 # correct ring bond data
201: ok 9827 # correct ring bond data
201: ok 9828 # correct ring bond data
201: ok 9829 # correct ring bond data
201: ok 9830 # correct ring bond data
201: ok 9831 # correct ring bond data
201: ok 9832 # correct ring bond data
201: ok 9833 # correct ring bond data
201: ok 9834 # correct ring bond data
201: ok 9835 # correct ring bond data
201: ok 9836 # correct ring bond data
201: ok 9837 # correct ring bond data
201: ok 9838 # SSSR size matches reference
201: ok 9839 # correct SSSR count
201: ok 9840 # ring membership passed
201: ok 9841 # correct SSSR count
201: ok 9842 # ring membership passed
201: ok 9843 # correct SSSR count
201: ok 9844 # ring membership passed
201: ok 9845 # correct SSSR count
201: ok 9846 # ring membership passed
201: ok 9847 # correct SSSR count
201: ok 9848 # ring membership passed
201: ok 9849 # correct SSSR count
201: ok 9850 # ring membership passed
201: ok 9851 # correct SSSR count
201: ok 9852 # ring membership passed
201: ok 9853 # correct SSSR count
201: ok 9854 # ring membership passed
201: ok 9855 # correct SSSR count
201: ok 9856 # ring membership passed
201: ok 9857 # correct SSSR count
201: ok 9858 # ring membership passed
201: ok 9859 # correct SSSR count
201: ok 9860 # ring membership passed
201: ok 9861 # correct SSSR count
201: ok 9862 # ring membership passed
201: ok 9863 # correct SSSR count
201: ok 9864 # ring membership passed
201: ok 9865 # correct SSSR count
201: ok 9866 # ring membership passed
201: ok 9867 # correct SSSR count
201: ok 9868 # ring membership passed
201: ok 9869 # correct SSSR count
201: ok 9870 # ring membership passed
201: ok 9871 # correct ring bond data
201: ok 9872 # correct ring bond data
201: ok 9873 # correct ring bond data
201: ok 9874 # correct ring bond data
201: ok 9875 # correct ring bond data
201: ok 9876 # correct ring bond data
201: ok 9877 # correct ring bond data
201: ok 9878 # correct ring bond data
201: ok 9879 # correct ring bond data
201: ok 9880 # correct ring bond data
201: ok 9881 # correct ring bond data
201: ok 9882 # correct ring bond data
201: ok 9883 # correct ring bond data
201: ok 9884 # correct ring bond data
201: ok 9885 # correct ring bond data
201: ok 9886 # correct ring bond data
201: ok 9887 # correct ring bond data
201: ok 9888 # correct ring bond data
201: ok 9889 # SSSR size matches reference
201: ok 9890 # correct SSSR count
201: ok 9891 # ring membership passed
201: ok 9892 # correct SSSR count
201: ok 9893 # ring membership passed
201: ok 9894 # correct SSSR count
201: ok 9895 # ring membership passed
201: ok 9896 # correct SSSR count
201: ok 9897 # ring membership passed
201: ok 9898 # correct SSSR count
201: ok 9899 # ring membership passed
201: ok 9900 # correct SSSR count
201: ok 9901 # ring membership passed
201: ok 9902 # correct SSSR count
201: ok 9903 # ring membership passed
201: ok 9904 # correct SSSR count
201: ok 9905 # ring membership passed
201: ok 9906 # correct SSSR count
201: ok 9907 # ring membership passed
201: ok 9908 # correct SSSR count
201: ok 9909 # ring membership passed
201: ok 9910 # correct SSSR count
201: ok 9911 # ring membership passed
201: ok 9912 # correct SSSR count
201: ok 9913 # ring membership passed
201: ok 9914 # correct SSSR count
201: ok 9915 # ring membership passed
201: ok 9916 # correct SSSR count
201: ok 9917 # ring membership passed
201: ok 9918 # correct SSSR count
201: ok 9919 # ring membership passed
201: ok 9920 # correct SSSR count
201: ok 9921 # ring membership passed
201: ok 9922 # correct SSSR count
201: ok 9923 # ring membership passed
201: ok 9924 # correct SSSR count
201: ok 9925 # ring membership passed
201: ok 9926 # correct ring bond data
201: ok 9927 # correct ring bond data
201: ok 9928 # correct ring bond data
201: ok 9929 # correct ring bond data
201: ok 9930 # correct ring bond data
201: ok 9931 # correct ring bond data
201: ok 9932 # correct ring bond data
201: ok 9933 # correct ring bond data
201: ok 9934 # correct ring bond data
201: ok 9935 # correct ring bond data
201: ok 9936 # correct ring bond data
201: ok 9937 # correct ring bond data
201: ok 9938 # correct ring bond data
201: ok 9939 # correct ring bond data
201: ok 9940 # correct ring bond data
201: ok 9941 # correct ring bond data
201: ok 9942 # correct ring bond data
201: ok 9943 # correct ring bond data
201: ok 9944 # SSSR size matches reference
201: ok 9945 # correct SSSR count
201: ok 9946 # ring membership passed
201: ok 9947 # correct SSSR count
201: ok 9948 # ring membership passed
201: ok 9949 # correct SSSR count
201: ok 9950 # ring membership passed
201: ok 9951 # correct SSSR count
201: ok 9952 # ring membership passed
201: ok 9953 # correct SSSR count
201: ok 9954 # ring membership passed
201: ok 9955 # correct SSSR count
201: ok 9956 # ring membership passed
201: ok 9957 # correct SSSR count
201: ok 9958 # ring membership passed
201: ok 9959 # correct SSSR count
201: ok 9960 # ring membership passed
201: ok 9961 # correct SSSR count
201: ok 9962 # ring membership passed
201: ok 9963 # correct SSSR count
201: ok 9964 # ring membership passed
201: ok 9965 # correct SSSR count
201: ok 9966 # ring membership passed
201: ok 9967 # correct SSSR count
201: ok 9968 # ring membership passed
201: ok 9969 # correct SSSR count
201: ok 9970 # ring membership passed
201: ok 9971 # correct SSSR count
201: ok 9972 # ring membership passed
201: ok 9973 # correct SSSR count
201: ok 9974 # ring membership passed
201: ok 9975 # correct SSSR count
201: ok 9976 # ring membership passed
201: ok 9977 # correct SSSR count
201: ok 9978 # ring membership passed
201: ok 9979 # correct SSSR count
201: ok 9980 # ring membership passed
201: ok 9981 # correct ring bond data
201: ok 9982 # correct ring bond data
201: ok 9983 # correct ring bond data
201: ok 9984 # correct ring bond data
201: ok 9985 # correct ring bond data
201: ok 9986 # correct ring bond data
201: ok 9987 # correct ring bond data
201: ok 9988 # correct ring bond data
201: ok 9989 # correct ring bond data
201: ok 9990 # correct ring bond data
201: ok 9991 # correct ring bond data
201: ok 9992 # correct ring bond data
201: ok 9993 # correct ring bond data
201: ok 9994 # correct ring bond data
201: ok 9995 # correct ring bond data
201: ok 9996 # correct ring bond data
201: ok 9997 # correct ring bond data
201: ok 9998 # correct ring bond data
201: ok 9999 # SSSR size matches reference
201: ok 10000 # correct SSSR count
201: ok 10001 # ring membership passed
201: ok 10002 # correct SSSR count
201: ok 10003 # ring membership passed
201: ok 10004 # correct SSSR count
201: ok 10005 # ring membership passed
201: ok 10006 # correct SSSR count
201: ok 10007 # ring membership passed
201: ok 10008 # correct SSSR count
201: ok 10009 # ring membership passed
201: ok 10010 # correct SSSR count
201: ok 10011 # ring membership passed
201: ok 10012 # correct SSSR count
201: ok 10013 # ring membership passed
201: ok 10014 # correct SSSR count
201: ok 10015 # ring membership passed
201: ok 10016 # correct SSSR count
201: ok 10017 # ring membership passed
201: ok 10018 # correct SSSR count
201: ok 10019 # ring membership passed
201: ok 10020 # correct SSSR count
201: ok 10021 # ring membership passed
201: ok 10022 # correct SSSR count
201: ok 10023 # ring membership passed
201: ok 10024 # correct SSSR count
201: ok 10025 # ring membership passed
201: ok 10026 # correct SSSR count
201: ok 10027 # ring membership passed
201: ok 10028 # correct SSSR count
201: ok 10029 # ring membership passed
201: ok 10030 # correct SSSR count
201: ok 10031 # ring membership passed
201: ok 10032 # correct SSSR count
201: ok 10033 # ring membership passed
201: ok 10034 # correct SSSR count
201: ok 10035 # ring membership passed
201: ok 10036 # correct ring bond data
201: ok 10037 # correct ring bond data
201: ok 10038 # correct ring bond data
201: ok 10039 # correct ring bond data
201: ok 10040 # correct ring bond data
201: ok 10041 # correct ring bond data
201: ok 10042 # correct ring bond data
201: ok 10043 # correct ring bond data
201: ok 10044 # correct ring bond data
201: ok 10045 # correct ring bond data
201: ok 10046 # correct ring bond data
201: ok 10047 # correct ring bond data
201: ok 10048 # correct ring bond data
201: ok 10049 # correct ring bond data
201: ok 10050 # correct ring bond data
201: ok 10051 # correct ring bond data
201: ok 10052 # correct ring bond data
201: ok 10053 # correct ring bond data
201: ok 10054 # correct ring bond data
201: ok 10055 # correct ring bond data
201: ok 10056 # correct ring bond data
201: ok 10057 # correct ring bond data
201: ok 10058 # correct ring bond data
201: ok 10059 # correct ring bond data
201: ok 10060 # correct ring bond data
201: ok 10061 # correct ring bond data
201: ok 10062 # correct ring bond data
201: ok 10063 # correct ring bond data
201: ok 10064 # correct ring bond data
201: ok 10065 # correct ring bond data
201: ok 10066 # correct ring bond data
201: ok 10067 # SSSR size matches reference
201: ok 10068 # correct SSSR count
201: ok 10069 # ring membership passed
201: ok 10070 # correct SSSR count
201: ok 10071 # ring membership passed
201: ok 10072 # correct SSSR count
201: ok 10073 # ring membership passed
201: ok 10074 # correct SSSR count
201: ok 10075 # ring membership passed
201: ok 10076 # correct SSSR count
201: ok 10077 # ring membership passed
201: ok 10078 # correct SSSR count
201: ok 10079 # ring membership passed
201: ok 10080 # correct SSSR count
201: ok 10081 # ring membership passed
201: ok 10082 # correct SSSR count
201: ok 10083 # ring membership passed
201: ok 10084 # correct SSSR count
201: ok 10085 # ring membership passed
201: ok 10086 # correct SSSR count
201: ok 10087 # ring membership passed
201: ok 10088 # correct SSSR count
201: ok 10089 # ring membership passed
201: ok 10090 # correct SSSR count
201: ok 10091 # ring membership passed
201: ok 10092 # correct SSSR count
201: ok 10093 # ring membership passed
201: ok 10094 # correct SSSR count
201: ok 10095 # ring membership passed
201: ok 10096 # correct SSSR count
201: ok 10097 # ring membership passed
201: ok 10098 # correct SSSR count
201: ok 10099 # ring membership passed
201: ok 10100 # correct SSSR count
201: ok 10101 # ring membership passed
201: ok 10102 # correct SSSR count
201: ok 10103 # ring membership passed
201: ok 10104 # correct SSSR count
201: ok 10105 # ring membership passed
201: ok 10106 # correct SSSR count
201: ok 10107 # ring membership passed
201: ok 10108 # correct SSSR count
201: ok 10109 # ring membership passed
201: ok 10110 # correct SSSR count
201: ok 10111 # ring membership passed
201: ok 10112 # correct SSSR count
201: ok 10113 # ring membership passed
201: ok 10114 # correct SSSR count
201: ok 10115 # ring membership passed
201: ok 10116 # correct SSSR count
201: ok 10117 # ring membership passed
201: ok 10118 # correct SSSR count
201: ok 10119 # ring membership passed
201: ok 10120 # correct SSSR count
201: ok 10121 # ring membership passed
201: ok 10122 # correct SSSR count
201: ok 10123 # ring membership passed
201: ok 10124 # correct ring bond data
201: ok 10125 # correct ring bond data
201: ok 10126 # correct ring bond data
201: ok 10127 # correct ring bond data
201: ok 10128 # correct ring bond data
201: ok 10129 # correct ring bond data
201: ok 10130 # correct ring bond data
201: ok 10131 # correct ring bond data
201: ok 10132 # correct ring bond data
201: ok 10133 # correct ring bond data
201: ok 10134 # SSSR size matches reference
201: ok 10135 # correct SSSR count
201: ok 10136 # ring membership passed
201: ok 10137 # correct SSSR count
201: ok 10138 # ring membership passed
201: ok 10139 # correct SSSR count
201: ok 10140 # ring membership passed
201: ok 10141 # correct SSSR count
201: ok 10142 # ring membership passed
201: ok 10143 # correct SSSR count
201: ok 10144 # ring membership passed
201: ok 10145 # correct SSSR count
201: ok 10146 # ring membership passed
201: ok 10147 # correct SSSR count
201: ok 10148 # ring membership passed
201: ok 10149 # correct SSSR count
201: ok 10150 # ring membership passed
201: ok 10151 # correct SSSR count
201: ok 10152 # ring membership passed
201: ok 10153 # correct SSSR count
201: ok 10154 # ring membership passed
201: ok 10155 # correct ring bond data
201: ok 10156 # correct ring bond data
201: ok 10157 # correct ring bond data
201: ok 10158 # correct ring bond data
201: ok 10159 # correct ring bond data
201: ok 10160 # correct ring bond data
201: ok 10161 # correct ring bond data
201: ok 10162 # correct ring bond data
201: ok 10163 # correct ring bond data
201: ok 10164 # correct ring bond data
201: ok 10165 # correct ring bond data
201: ok 10166 # correct ring bond data
201: ok 10167 # correct ring bond data
201: ok 10168 # correct ring bond data
201: ok 10169 # correct ring bond data
201: ok 10170 # correct ring bond data
201: ok 10171 # correct ring bond data
201: ok 10172 # correct ring bond data
201: ok 10173 # correct ring bond data
201: ok 10174 # correct ring bond data
201: ok 10175 # SSSR size matches reference
201: ok 10176 # correct SSSR count
201: ok 10177 # ring membership passed
201: ok 10178 # correct SSSR count
201: ok 10179 # ring membership passed
201: ok 10180 # correct SSSR count
201: ok 10181 # ring membership passed
201: ok 10182 # correct SSSR count
201: ok 10183 # ring membership passed
201: ok 10184 # correct SSSR count
201: ok 10185 # ring membership passed
201: ok 10186 # correct SSSR count
201: ok 10187 # ring membership passed
201: ok 10188 # correct SSSR count
201: ok 10189 # ring membership passed
201: ok 10190 # correct SSSR count
201: ok 10191 # ring membership passed
201: ok 10192 # correct SSSR count
201: ok 10193 # ring membership passed
201: ok 10194 # correct SSSR count
201: ok 10195 # ring membership passed
201: ok 10196 # correct SSSR count
201: ok 10197 # ring membership passed
201: ok 10198 # correct SSSR count
201: ok 10199 # ring membership passed
201: ok 10200 # correct SSSR count
201: ok 10201 # ring membership passed
201: ok 10202 # correct SSSR count
201: ok 10203 # ring membership passed
201: ok 10204 # correct SSSR count
201: ok 10205 # ring membership passed
201: ok 10206 # correct SSSR count
201: ok 10207 # ring membership passed
201: ok 10208 # correct SSSR count
201: ok 10209 # ring membership passed
201: ok 10210 # correct SSSR count
201: ok 10211 # ring membership passed
201: ok 10212 # correct SSSR count
201: ok 10213 # ring membership passed
201: ok 10214 # correct SSSR count
201: ok 10215 # ring membership passed
201: ok 10216 # correct ring bond data
201: ok 10217 # correct ring bond data
201: ok 10218 # correct ring bond data
201: ok 10219 # correct ring bond data
201: ok 10220 # correct ring bond data
201: ok 10221 # correct ring bond data
201: ok 10222 # correct ring bond data
201: ok 10223 # correct ring bond data
201: ok 10224 # correct ring bond data
201: ok 10225 # correct ring bond data
201: ok 10226 # correct ring bond data
201: ok 10227 # correct ring bond data
201: ok 10228 # correct ring bond data
201: ok 10229 # correct ring bond data
201: ok 10230 # correct ring bond data
201: ok 10231 # correct ring bond data
201: ok 10232 # correct ring bond data
201: ok 10233 # correct ring bond data
201: ok 10234 # correct ring bond data
201: ok 10235 # correct ring bond data
201: ok 10236 # correct ring bond data
201: ok 10237 # correct ring bond data
201: ok 10238 # correct ring bond data
201: ok 10239 # correct ring bond data
201: ok 10240 # correct ring bond data
201: ok 10241 # correct ring bond data
201: ok 10242 # correct ring bond data
201: ok 10243 # correct ring bond data
201: ok 10244 # correct ring bond data
201: ok 10245 # SSSR size matches reference
201: ok 10246 # correct SSSR count
201: ok 10247 # ring membership passed
201: ok 10248 # correct SSSR count
201: ok 10249 # ring membership passed
201: ok 10250 # correct SSSR count
201: ok 10251 # ring membership passed
201: ok 10252 # correct SSSR count
201: ok 10253 # ring membership passed
201: ok 10254 # correct SSSR count
201: ok 10255 # ring membership passed
201: ok 10256 # correct SSSR count
201: ok 10257 # ring membership passed
201: ok 10258 # correct SSSR count
201: ok 10259 # ring membership passed
201: ok 10260 # correct SSSR count
201: ok 10261 # ring membership passed
201: ok 10262 # correct SSSR count
201: ok 10263 # ring membership passed
201: ok 10264 # correct SSSR count
201: ok 10265 # ring membership passed
201: ok 10266 # correct SSSR count
201: ok 10267 # ring membership passed
201: ok 10268 # correct SSSR count
201: ok 10269 # ring membership passed
201: ok 10270 # correct SSSR count
201: ok 10271 # ring membership passed
201: ok 10272 # correct SSSR count
201: ok 10273 # ring membership passed
201: ok 10274 # correct SSSR count
201: ok 10275 # ring membership passed
201: ok 10276 # correct SSSR count
201: ok 10277 # ring membership passed
201: ok 10278 # correct SSSR count
201: ok 10279 # ring membership passed
201: ok 10280 # correct SSSR count
201: ok 10281 # ring membership passed
201: ok 10282 # correct SSSR count
201: ok 10283 # ring membership passed
201: ok 10284 # correct SSSR count
201: ok 10285 # ring membership passed
201: ok 10286 # correct SSSR count
201: ok 10287 # ring membership passed
201: ok 10288 # correct SSSR count
201: ok 10289 # ring membership passed
201: ok 10290 # correct SSSR count
201: ok 10291 # ring membership passed
201: ok 10292 # correct SSSR count
201: ok 10293 # ring membership passed
201: ok 10294 # correct SSSR count
201: ok 10295 # ring membership passed
201: ok 10296 # correct SSSR count
201: ok 10297 # ring membership passed
201: ok 10298 # correct ring bond data
201: ok 10299 # correct ring bond data
201: ok 10300 # correct ring bond data
201: ok 10301 # correct ring bond data
201: ok 10302 # correct ring bond data
201: ok 10303 # correct ring bond data
201: ok 10304 # correct ring bond data
201: ok 10305 # correct ring bond data
201: ok 10306 # correct ring bond data
201: ok 10307 # correct ring bond data
201: ok 10308 # correct ring bond data
201: ok 10309 # correct ring bond data
201: ok 10310 # correct ring bond data
201: ok 10311 # correct ring bond data
201: ok 10312 # correct ring bond data
201: ok 10313 # correct ring bond data
201: ok 10314 # SSSR size matches reference
201: ok 10315 # correct SSSR count
201: ok 10316 # ring membership passed
201: ok 10317 # correct SSSR count
201: ok 10318 # ring membership passed
201: ok 10319 # correct SSSR count
201: ok 10320 # ring membership passed
201: ok 10321 # correct SSSR count
201: ok 10322 # ring membership passed
201: ok 10323 # correct SSSR count
201: ok 10324 # ring membership passed
201: ok 10325 # correct SSSR count
201: ok 10326 # ring membership passed
201: ok 10327 # correct SSSR count
201: ok 10328 # ring membership passed
201: ok 10329 # correct SSSR count
201: ok 10330 # ring membership passed
201: ok 10331 # correct SSSR count
201: ok 10332 # ring membership passed
201: ok 10333 # correct SSSR count
201: ok 10334 # ring membership passed
201: ok 10335 # correct SSSR count
201: ok 10336 # ring membership passed
201: ok 10337 # correct SSSR count
201: ok 10338 # ring membership passed
201: ok 10339 # correct SSSR count
201: ok 10340 # ring membership passed
201: ok 10341 # correct SSSR count
201: ok 10342 # ring membership passed
201: ok 10343 # correct SSSR count
201: ok 10344 # ring membership passed
201: ok 10345 # correct ring bond data
201: ok 10346 # correct ring bond data
201: ok 10347 # correct ring bond data
201: ok 10348 # correct ring bond data
201: ok 10349 # correct ring bond data
201: ok 10350 # correct ring bond data
201: ok 10351 # correct ring bond data
201: ok 10352 # correct ring bond data
201: ok 10353 # correct ring bond data
201: ok 10354 # correct ring bond data
201: ok 10355 # correct ring bond data
201: ok 10356 # correct ring bond data
201: ok 10357 # correct ring bond data
201: ok 10358 # correct ring bond data
201: ok 10359 # correct ring bond data
201: ok 10360 # correct ring bond data
201: ok 10361 # correct ring bond data
201: ok 10362 # correct ring bond data
201: ok 10363 # correct ring bond data
201: ok 10364 # correct ring bond data
201: ok 10365 # correct ring bond data
201: ok 10366 # SSSR size matches reference
201: ok 10367 # correct SSSR count
201: ok 10368 # ring membership passed
201: ok 10369 # correct SSSR count
201: ok 10370 # ring membership passed
201: ok 10371 # correct SSSR count
201: ok 10372 # ring membership passed
201: ok 10373 # correct SSSR count
201: ok 10374 # ring membership passed
201: ok 10375 # correct SSSR count
201: ok 10376 # ring membership passed
201: ok 10377 # correct SSSR count
201: ok 10378 # ring membership passed
201: ok 10379 # correct SSSR count
201: ok 10380 # ring membership passed
201: ok 10381 # correct SSSR count
201: ok 10382 # ring membership passed
201: ok 10383 # correct SSSR count
201: ok 10384 # ring membership passed
201: ok 10385 # correct SSSR count
201: ok 10386 # ring membership passed
201: ok 10387 # correct SSSR count
201: ok 10388 # ring membership passed
201: ok 10389 # correct SSSR count
201: ok 10390 # ring membership passed
201: ok 10391 # correct SSSR count
201: ok 10392 # ring membership passed
201: ok 10393 # correct SSSR count
201: ok 10394 # ring membership passed
201: ok 10395 # correct SSSR count
201: ok 10396 # ring membership passed
201: ok 10397 # correct SSSR count
201: ok 10398 # ring membership passed
201: ok 10399 # correct SSSR count
201: ok 10400 # ring membership passed
201: ok 10401 # correct SSSR count
201: ok 10402 # ring membership passed
201: ok 10403 # correct SSSR count
201: ok 10404 # ring membership passed
201: ok 10405 # correct SSSR count
201: ok 10406 # ring membership passed
201: ok 10407 # correct ring bond data
201: ok 10408 # correct ring bond data
201: ok 10409 # correct ring bond data
201: ok 10410 # correct ring bond data
201: ok 10411 # correct ring bond data
201: ok 10412 # correct ring bond data
201: ok 10413 # correct ring bond data
201: ok 10414 # correct ring bond data
201: ok 10415 # correct ring bond data
201: ok 10416 # correct ring bond data
201: ok 10417 # correct ring bond data
201: ok 10418 # correct ring bond data
201: ok 10419 # correct ring bond data
201: ok 10420 # correct ring bond data
201: ok 10421 # correct ring bond data
201: ok 10422 # correct ring bond data
201: ok 10423 # correct ring bond data
201: ok 10424 # correct ring bond data
201: ok 10425 # correct ring bond data
201: ok 10426 # correct ring bond data
201: ok 10427 # correct ring bond data
201: ok 10428 # correct ring bond data
201: ok 10429 # correct ring bond data
201: ok 10430 # correct ring bond data
201: ok 10431 # correct ring bond data
201: ok 10432 # correct ring bond data
201: ok 10433 # correct ring bond data
201: ok 10434 # correct ring bond data
201: ok 10435 # SSSR size matches reference
201: ok 10436 # correct SSSR count
201: ok 10437 # ring membership passed
201: ok 10438 # correct SSSR count
201: ok 10439 # ring membership passed
201: ok 10440 # correct SSSR count
201: ok 10441 # ring membership passed
201: ok 10442 # correct SSSR count
201: ok 10443 # ring membership passed
201: ok 10444 # correct SSSR count
201: ok 10445 # ring membership passed
201: ok 10446 # correct SSSR count
201: ok 10447 # ring membership passed
201: ok 10448 # correct SSSR count
201: ok 10449 # ring membership passed
201: ok 10450 # correct SSSR count
201: ok 10451 # ring membership passed
201: ok 10452 # correct SSSR count
201: ok 10453 # ring membership passed
201: ok 10454 # correct SSSR count
201: ok 10455 # ring membership passed
201: ok 10456 # correct SSSR count
201: ok 10457 # ring membership passed
201: ok 10458 # correct SSSR count
201: ok 10459 # ring membership passed
201: ok 10460 # correct SSSR count
201: ok 10461 # ring membership passed
201: ok 10462 # correct SSSR count
201: ok 10463 # ring membership passed
201: ok 10464 # correct SSSR count
201: ok 10465 # ring membership passed
201: ok 10466 # correct SSSR count
201: ok 10467 # ring membership passed
201: ok 10468 # correct SSSR count
201: ok 10469 # ring membership passed
201: ok 10470 # correct SSSR count
201: ok 10471 # ring membership passed
201: ok 10472 # correct SSSR count
201: ok 10473 # ring membership passed
201: ok 10474 # correct SSSR count
201: ok 10475 # ring membership passed
201: ok 10476 # correct SSSR count
201: ok 10477 # ring membership passed
201: ok 10478 # correct SSSR count
201: ok 10479 # ring membership passed
201: ok 10480 # correct SSSR count
201: ok 10481 # ring membership passed
201: ok 10482 # correct SSSR count
201: ok 10483 # ring membership passed
201: ok 10484 # correct SSSR count
201: ok 10485 # ring membership passed
201: ok 10486 # correct SSSR count
201: ok 10487 # ring membership passed
201: ok 10488 # correct SSSR count
201: ok 10489 # ring membership passed
201: ok 10490 # correct ring bond data
201: ok 10491 # correct ring bond data
201: ok 10492 # correct ring bond data
201: ok 10493 # correct ring bond data
201: ok 10494 # correct ring bond data
201: ok 10495 # correct ring bond data
201: ok 10496 # correct ring bond data
201: ok 10497 # correct ring bond data
201: ok 10498 # correct ring bond data
201: ok 10499 # correct ring bond data
201: ok 10500 # correct ring bond data
201: ok 10501 # correct ring bond data
201: ok 10502 # correct ring bond data
201: ok 10503 # correct ring bond data
201: ok 10504 # correct ring bond data
201: ok 10505 # correct ring bond data
201: ok 10506 # correct ring bond data
201: ok 10507 # correct ring bond data
201: ok 10508 # correct ring bond data
201: ok 10509 # SSSR size matches reference
201: ok 10510 # correct SSSR count
201: ok 10511 # ring membership passed
201: ok 10512 # correct SSSR count
201: ok 10513 # ring membership passed
201: ok 10514 # correct SSSR count
201: ok 10515 # ring membership passed
201: ok 10516 # correct SSSR count
201: ok 10517 # ring membership passed
201: ok 10518 # correct SSSR count
201: ok 10519 # ring membership passed
201: ok 10520 # correct SSSR count
201: ok 10521 # ring membership passed
201: ok 10522 # correct SSSR count
201: ok 10523 # ring membership passed
201: ok 10524 # correct SSSR count
201: ok 10525 # ring membership passed
201: ok 10526 # correct SSSR count
201: ok 10527 # ring membership passed
201: ok 10528 # correct SSSR count
201: ok 10529 # ring membership passed
201: ok 10530 # correct SSSR count
201: ok 10531 # ring membership passed
201: ok 10532 # correct SSSR count
201: ok 10533 # ring membership passed
201: ok 10534 # correct SSSR count
201: ok 10535 # ring membership passed
201: ok 10536 # correct SSSR count
201: ok 10537 # ring membership passed
201: ok 10538 # correct SSSR count
201: ok 10539 # ring membership passed
201: ok 10540 # correct SSSR count
201: ok 10541 # ring membership passed
201: ok 10542 # correct SSSR count
201: ok 10543 # ring membership passed
201: ok 10544 # correct SSSR count
201: ok 10545 # ring membership passed
201: ok 10546 # correct ring bond data
201: ok 10547 # correct ring bond data
201: ok 10548 # correct ring bond data
201: ok 10549 # correct ring bond data
201: ok 10550 # correct ring bond data
201: ok 10551 # correct ring bond data
201: ok 10552 # correct ring bond data
201: ok 10553 # correct ring bond data
201: ok 10554 # correct ring bond data
201: ok 10555 # correct ring bond data
201: ok 10556 # correct ring bond data
201: ok 10557 # correct ring bond data
201: ok 10558 # correct ring bond data
201: ok 10559 # correct ring bond data
201: ok 10560 # correct ring bond data
201: ok 10561 # correct ring bond data
201: ok 10562 # correct ring bond data
201: ok 10563 # correct ring bond data
201: ok 10564 # correct ring bond data
201: ok 10565 # correct ring bond data
201: ok 10566 # correct ring bond data
201: ok 10567 # correct ring bond data
201: ok 10568 # correct ring bond data
201: ok 10569 # correct ring bond data
201: ok 10570 # correct ring bond data
201: ok 10571 # SSSR size matches reference
201: ok 10572 # correct SSSR count
201: ok 10573 # ring membership passed
201: ok 10574 # correct SSSR count
201: ok 10575 # ring membership passed
201: ok 10576 # correct SSSR count
201: ok 10577 # ring membership passed
201: ok 10578 # correct SSSR count
201: ok 10579 # ring membership passed
201: ok 10580 # correct SSSR count
201: ok 10581 # ring membership passed
201: ok 10582 # correct SSSR count
201: ok 10583 # ring membership passed
201: ok 10584 # correct SSSR count
201: ok 10585 # ring membership passed
201: ok 10586 # correct SSSR count
201: ok 10587 # ring membership passed
201: ok 10588 # correct SSSR count
201: ok 10589 # ring membership passed
201: ok 10590 # correct SSSR count
201: ok 10591 # ring membership passed
201: ok 10592 # correct SSSR count
201: ok 10593 # ring membership passed
201: ok 10594 # correct SSSR count
201: ok 10595 # ring membership passed
201: ok 10596 # correct SSSR count
201: ok 10597 # ring membership passed
201: ok 10598 # correct SSSR count
201: ok 10599 # ring membership passed
201: ok 10600 # correct SSSR count
201: ok 10601 # ring membership passed
201: ok 10602 # correct SSSR count
201: ok 10603 # ring membership passed
201: ok 10604 # correct SSSR count
201: ok 10605 # ring membership passed
201: ok 10606 # correct SSSR count
201: ok 10607 # ring membership passed
201: ok 10608 # correct SSSR count
201: ok 10609 # ring membership passed
201: ok 10610 # correct SSSR count
201: ok 10611 # ring membership passed
201: ok 10612 # correct SSSR count
201: ok 10613 # ring membership passed
201: ok 10614 # correct SSSR count
201: ok 10615 # ring membership passed
201: ok 10616 # correct SSSR count
201: ok 10617 # ring membership passed
201: ok 10618 # correct ring bond data
201: ok 10619 # correct ring bond data
201: ok 10620 # correct ring bond data
201: ok 10621 # correct ring bond data
201: ok 10622 # correct ring bond data
201: ok 10623 # correct ring bond data
201: ok 10624 # correct ring bond data
201: ok 10625 # correct ring bond data
201: ok 10626 # correct ring bond data
201: ok 10627 # correct ring bond data
201: ok 10628 # correct ring bond data
201: ok 10629 # correct ring bond data
201: ok 10630 # correct ring bond data
201: ok 10631 # correct ring bond data
201: ok 10632 # correct ring bond data
201: ok 10633 # correct ring bond data
201: ok 10634 # correct ring bond data
201: ok 10635 # correct ring bond data
201: ok 10636 # correct ring bond data
201: ok 10637 # correct ring bond data
201: ok 10638 # correct ring bond data
201: ok 10639 # correct ring bond data
201: ok 10640 # correct ring bond data
201: ok 10641 # correct ring bond data
201: ok 10642 # SSSR size matches reference
201: ok 10643 # correct SSSR count
201: ok 10644 # ring membership passed
201: ok 10645 # correct SSSR count
201: ok 10646 # ring membership passed
201: ok 10647 # correct SSSR count
201: ok 10648 # ring membership passed
201: ok 10649 # correct SSSR count
201: ok 10650 # ring membership passed
201: ok 10651 # correct SSSR count
201: ok 10652 # ring membership passed
201: ok 10653 # correct SSSR count
201: ok 10654 # ring membership passed
201: ok 10655 # correct SSSR count
201: ok 10656 # ring membership passed
201: ok 10657 # correct SSSR count
201: ok 10658 # ring membership passed
201: ok 10659 # correct SSSR count
201: ok 10660 # ring membership passed
201: ok 10661 # correct SSSR count
201: ok 10662 # ring membership passed
201: ok 10663 # correct SSSR count
201: ok 10664 # ring membership passed
201: ok 10665 # correct SSSR count
201: ok 10666 # ring membership passed
201: ok 10667 # correct SSSR count
201: ok 10668 # ring membership passed
201: ok 10669 # correct SSSR count
201: ok 10670 # ring membership passed
201: ok 10671 # correct SSSR count
201: ok 10672 # ring membership passed
201: ok 10673 # correct SSSR count
201: ok 10674 # ring membership passed
201: ok 10675 # correct SSSR count
201: ok 10676 # ring membership passed
201: ok 10677 # correct SSSR count
201: ok 10678 # ring membership passed
201: ok 10679 # correct SSSR count
201: ok 10680 # ring membership passed
201: ok 10681 # correct SSSR count
201: ok 10682 # ring membership passed
201: ok 10683 # correct SSSR count
201: ok 10684 # ring membership passed
201: ok 10685 # correct SSSR count
201: ok 10686 # ring membership passed
201: ok 10687 # correct ring bond data
201: ok 10688 # correct ring bond data
201: ok 10689 # correct ring bond data
201: ok 10690 # correct ring bond data
201: ok 10691 # correct ring bond data
201: ok 10692 # correct ring bond data
201: ok 10693 # correct ring bond data
201: ok 10694 # correct ring bond data
201: ok 10695 # correct ring bond data
201: ok 10696 # correct ring bond data
201: ok 10697 # correct ring bond data
201: ok 10698 # correct ring bond data
201: ok 10699 # correct ring bond data
201: ok 10700 # correct ring bond data
201: ok 10701 # correct ring bond data
201: ok 10702 # correct ring bond data
201: ok 10703 # correct ring bond data
201: ok 10704 # correct ring bond data
201: ok 10705 # correct ring bond data
201: ok 10706 # SSSR size matches reference
201: ok 10707 # correct SSSR count
201: ok 10708 # ring membership passed
201: ok 10709 # correct SSSR count
201: ok 10710 # ring membership passed
201: ok 10711 # correct SSSR count
201: ok 10712 # ring membership passed
201: ok 10713 # correct SSSR count
201: ok 10714 # ring membership passed
201: ok 10715 # correct SSSR count
201: ok 10716 # ring membership passed
201: ok 10717 # correct SSSR count
201: ok 10718 # ring membership passed
201: ok 10719 # correct SSSR count
201: ok 10720 # ring membership passed
201: ok 10721 # correct SSSR count
201: ok 10722 # ring membership passed
201: ok 10723 # correct SSSR count
201: ok 10724 # ring membership passed
201: ok 10725 # correct SSSR count
201: ok 10726 # ring membership passed
201: ok 10727 # correct SSSR count
201: ok 10728 # ring membership passed
201: ok 10729 # correct SSSR count
201: ok 10730 # ring membership passed
201: ok 10731 # correct SSSR count
201: ok 10732 # ring membership passed
201: ok 10733 # correct SSSR count
201: ok 10734 # ring membership passed
201: ok 10735 # correct SSSR count
201: ok 10736 # ring membership passed
201: ok 10737 # correct SSSR count
201: ok 10738 # ring membership passed
201: ok 10739 # correct SSSR count
201: ok 10740 # ring membership passed
201: ok 10741 # correct SSSR count
201: ok 10742 # ring membership passed
201: ok 10743 # correct SSSR count
201: ok 10744 # ring membership passed
201: ok 10745 # correct ring bond data
201: ok 10746 # correct ring bond data
201: ok 10747 # correct ring bond data
201: ok 10748 # correct ring bond data
201: ok 10749 # correct ring bond data
201: ok 10750 # correct ring bond data
201: ok 10751 # correct ring bond data
201: ok 10752 # correct ring bond data
201: ok 10753 # correct ring bond data
201: ok 10754 # correct ring bond data
201: ok 10755 # correct ring bond data
201: ok 10756 # correct ring bond data
201: ok 10757 # correct ring bond data
201: ok 10758 # correct ring bond data
201: ok 10759 # correct ring bond data
201: ok 10760 # correct ring bond data
201: ok 10761 # SSSR size matches reference
201: ok 10762 # correct SSSR count
201: ok 10763 # ring membership passed
201: ok 10764 # correct SSSR count
201: ok 10765 # ring membership passed
201: ok 10766 # correct SSSR count
201: ok 10767 # ring membership passed
201: ok 10768 # correct SSSR count
201: ok 10769 # ring membership passed
201: ok 10770 # correct SSSR count
201: ok 10771 # ring membership passed
201: ok 10772 # correct SSSR count
201: ok 10773 # ring membership passed
201: ok 10774 # correct SSSR count
201: ok 10775 # ring membership passed
201: ok 10776 # correct SSSR count
201: ok 10777 # ring membership passed
201: ok 10778 # correct SSSR count
201: ok 10779 # ring membership passed
201: ok 10780 # correct SSSR count
201: ok 10781 # ring membership passed
201: ok 10782 # correct SSSR count
201: ok 10783 # ring membership passed
201: ok 10784 # correct SSSR count
201: ok 10785 # ring membership passed
201: ok 10786 # correct SSSR count
201: ok 10787 # ring membership passed
201: ok 10788 # correct SSSR count
201: ok 10789 # ring membership passed
201: ok 10790 # correct SSSR count
201: ok 10791 # ring membership passed
201: ok 10792 # correct ring bond data
201: ok 10793 # correct ring bond data
201: ok 10794 # correct ring bond data
201: ok 10795 # correct ring bond data
201: ok 10796 # correct ring bond data
201: ok 10797 # correct ring bond data
201: ok 10798 # correct ring bond data
201: ok 10799 # correct ring bond data
201: ok 10800 # correct ring bond data
201: ok 10801 # correct ring bond data
201: ok 10802 # correct ring bond data
201: ok 10803 # correct ring bond data
201: ok 10804 # correct ring bond data
201: ok 10805 # correct ring bond data
201: ok 10806 # correct ring bond data
201: ok 10807 # SSSR size matches reference
201: ok 10808 # correct SSSR count
201: ok 10809 # ring membership passed
201: ok 10810 # correct SSSR count
201: ok 10811 # ring membership passed
201: ok 10812 # correct SSSR count
201: ok 10813 # ring membership passed
201: ok 10814 # correct SSSR count
201: ok 10815 # ring membership passed
201: ok 10816 # correct SSSR count
201: ok 10817 # ring membership passed
201: ok 10818 # correct SSSR count
201: ok 10819 # ring membership passed
201: ok 10820 # correct SSSR count
201: ok 10821 # ring membership passed
201: ok 10822 # correct SSSR count
201: ok 10823 # ring membership passed
201: ok 10824 # correct SSSR count
201: ok 10825 # ring membership passed
201: ok 10826 # correct SSSR count
201: ok 10827 # ring membership passed
201: ok 10828 # correct SSSR count
201: ok 10829 # ring membership passed
201: ok 10830 # correct SSSR count
201: ok 10831 # ring membership passed
201: ok 10832 # correct SSSR count
201: ok 10833 # ring membership passed
201: ok 10834 # correct SSSR count
201: ok 10835 # ring membership passed
201: ok 10836 # correct ring bond data
201: ok 10837 # correct ring bond data
201: ok 10838 # correct ring bond data
201: ok 10839 # correct ring bond data
201: ok 10840 # correct ring bond data
201: ok 10841 # correct ring bond data
201: ok 10842 # correct ring bond data
201: ok 10843 # correct ring bond data
201: ok 10844 # correct ring bond data
201: ok 10845 # correct ring bond data
201: ok 10846 # correct ring bond data
201: ok 10847 # correct ring bond data
201: ok 10848 # correct ring bond data
201: ok 10849 # correct ring bond data
201: ok 10850 # correct ring bond data
201: ok 10851 # correct ring bond data
201: ok 10852 # SSSR size matches reference
201: ok 10853 # correct SSSR count
201: ok 10854 # ring membership passed
201: ok 10855 # correct SSSR count
201: ok 10856 # ring membership passed
201: ok 10857 # correct SSSR count
201: ok 10858 # ring membership passed
201: ok 10859 # correct SSSR count
201: ok 10860 # ring membership passed
201: ok 10861 # correct SSSR count
201: ok 10862 # ring membership passed
201: ok 10863 # correct SSSR count
201: ok 10864 # ring membership passed
201: ok 10865 # correct SSSR count
201: ok 10866 # ring membership passed
201: ok 10867 # correct SSSR count
201: ok 10868 # ring membership passed
201: ok 10869 # correct SSSR count
201: ok 10870 # ring membership passed
201: ok 10871 # correct SSSR count
201: ok 10872 # ring membership passed
201: ok 10873 # correct SSSR count
201: ok 10874 # ring membership passed
201: ok 10875 # correct SSSR count
201: ok 10876 # ring membership passed
201: ok 10877 # correct SSSR count
201: ok 10878 # ring membership passed
201: ok 10879 # correct SSSR count
201: ok 10880 # ring membership passed
201: ok 10881 # correct SSSR count
201: ok 10882 # ring membership passed
201: ok 10883 # correct ring bond data
201: ok 10884 # correct ring bond data
201: ok 10885 # correct ring bond data
201: ok 10886 # correct ring bond data
201: ok 10887 # correct ring bond data
201: ok 10888 # correct ring bond data
201: ok 10889 # correct ring bond data
201: ok 10890 # correct ring bond data
201: ok 10891 # correct ring bond data
201: ok 10892 # correct ring bond data
201: ok 10893 # correct ring bond data
201: ok 10894 # correct ring bond data
201: ok 10895 # correct ring bond data
201: ok 10896 # correct ring bond data
201: ok 10897 # correct ring bond data
201: ok 10898 # correct ring bond data
201: ok 10899 # correct ring bond data
201: ok 10900 # correct ring bond data
201: ok 10901 # SSSR size matches reference
201: ok 10902 # correct SSSR count
201: ok 10903 # ring membership passed
201: ok 10904 # correct SSSR count
201: ok 10905 # ring membership passed
201: ok 10906 # correct SSSR count
201: ok 10907 # ring membership passed
201: ok 10908 # correct SSSR count
201: ok 10909 # ring membership passed
201: ok 10910 # correct SSSR count
201: ok 10911 # ring membership passed
201: ok 10912 # correct SSSR count
201: ok 10913 # ring membership passed
201: ok 10914 # correct SSSR count
201: ok 10915 # ring membership passed
201: ok 10916 # correct SSSR count
201: ok 10917 # ring membership passed
201: ok 10918 # correct SSSR count
201: ok 10919 # ring membership passed
201: ok 10920 # correct SSSR count
201: ok 10921 # ring membership passed
201: ok 10922 # correct SSSR count
201: ok 10923 # ring membership passed
201: ok 10924 # correct SSSR count
201: ok 10925 # ring membership passed
201: ok 10926 # correct SSSR count
201: ok 10927 # ring membership passed
201: ok 10928 # correct SSSR count
201: ok 10929 # ring membership passed
201: ok 10930 # correct SSSR count
201: ok 10931 # ring membership passed
201: ok 10932 # correct SSSR count
201: ok 10933 # ring membership passed
201: ok 10934 # correct SSSR count
201: ok 10935 # ring membership passed
201: ok 10936 # correct ring bond data
201: ok 10937 # correct ring bond data
201: ok 10938 # correct ring bond data
201: ok 10939 # correct ring bond data
201: ok 10940 # correct ring bond data
201: ok 10941 # correct ring bond data
201: ok 10942 # correct ring bond data
201: ok 10943 # correct ring bond data
201: ok 10944 # correct ring bond data
201: ok 10945 # correct ring bond data
201: ok 10946 # correct ring bond data
201: ok 10947 # correct ring bond data
201: ok 10948 # correct ring bond data
201: ok 10949 # correct ring bond data
201: ok 10950 # correct ring bond data
201: ok 10951 # correct ring bond data
201: ok 10952 # correct ring bond data
201: ok 10953 # correct ring bond data
201: ok 10954 # correct ring bond data
201: ok 10955 # correct ring bond data
201: ok 10956 # correct ring bond data
201: ok 10957 # correct ring bond data
201: ok 10958 # correct ring bond data
201: ok 10959 # correct ring bond data
201: ok 10960 # correct ring bond data
201: ok 10961 # correct ring bond data
201: ok 10962 # correct ring bond data
201: ok 10963 # correct ring bond data
201: ok 10964 # correct ring bond data
201: ok 10965 # correct ring bond data
201: ok 10966 # correct ring bond data
201: ok 10967 # correct ring bond data
201: ok 10968 # correct ring bond data
201: ok 10969 # correct ring bond data
201: ok 10970 # correct ring bond data
201: ok 10971 # correct ring bond data
201: ok 10972 # correct ring bond data
201: ok 10973 # correct ring bond data
201: ok 10974 # SSSR size matches reference
201: ok 10975 # correct SSSR count
201: ok 10976 # ring membership passed
201: ok 10977 # correct SSSR count
201: ok 10978 # ring membership passed
201: ok 10979 # correct SSSR count
201: ok 10980 # ring membership passed
201: ok 10981 # correct SSSR count
201: ok 10982 # ring membership passed
201: ok 10983 # correct SSSR count
201: ok 10984 # ring membership passed
201: ok 10985 # correct SSSR count
201: ok 10986 # ring membership passed
201: ok 10987 # correct SSSR count
201: ok 10988 # ring membership passed
201: ok 10989 # correct SSSR count
201: ok 10990 # ring membership passed
201: ok 10991 # correct SSSR count
201: ok 10992 # ring membership passed
201: ok 10993 # correct SSSR count
201: ok 10994 # ring membership passed
201: ok 10995 # correct SSSR count
201: ok 10996 # ring membership passed
201: ok 10997 # correct SSSR count
201: ok 10998 # ring membership passed
201: ok 10999 # correct SSSR count
201: ok 11000 # ring membership passed
201: ok 11001 # correct SSSR count
201: ok 11002 # ring membership passed
201: ok 11003 # correct SSSR count
201: ok 11004 # ring membership passed
201: ok 11005 # correct SSSR count
201: ok 11006 # ring membership passed
201: ok 11007 # correct SSSR count
201: ok 11008 # ring membership passed
201: ok 11009 # correct SSSR count
201: ok 11010 # ring membership passed
201: ok 11011 # correct SSSR count
201: ok 11012 # ring membership passed
201: ok 11013 # correct SSSR count
201: ok 11014 # ring membership passed
201: ok 11015 # correct SSSR count
201: ok 11016 # ring membership passed
201: ok 11017 # correct SSSR count
201: ok 11018 # ring membership passed
201: ok 11019 # correct SSSR count
201: ok 11020 # ring membership passed
201: ok 11021 # correct SSSR count
201: ok 11022 # ring membership passed
201: ok 11023 # correct SSSR count
201: ok 11024 # ring membership passed
201: ok 11025 # correct SSSR count
201: ok 11026 # ring membership passed
201: ok 11027 # correct SSSR count
201: ok 11028 # ring membership passed
201: ok 11029 # correct SSSR count
201: ok 11030 # ring membership passed
201: ok 11031 # correct SSSR count
201: ok 11032 # ring membership passed
201: ok 11033 # correct SSSR count
201: ok 11034 # ring membership passed
201: ok 11035 # correct SSSR count
201: ok 11036 # ring membership passed
201: ok 11037 # correct SSSR count
201: ok 11038 # ring membership passed
201: ok 11039 # correct SSSR count
201: ok 11040 # ring membership passed
201: ok 11041 # correct SSSR count
201: ok 11042 # ring membership passed
201: ok 11043 # correct SSSR count
201: ok 11044 # ring membership passed
201: ok 11045 # correct SSSR count
201: ok 11046 # ring membership passed
201: ok 11047 # correct ring bond data
201: ok 11048 # correct ring bond data
201: ok 11049 # correct ring bond data
201: ok 11050 # correct ring bond data
201: ok 11051 # correct ring bond data
201: ok 11052 # correct ring bond data
201: ok 11053 # correct ring bond data
201: ok 11054 # correct ring bond data
201: ok 11055 # correct ring bond data
201: ok 11056 # correct ring bond data
201: ok 11057 # correct ring bond data
201: ok 11058 # correct ring bond data
201: ok 11059 # correct ring bond data
201: ok 11060 # correct ring bond data
201: ok 11061 # correct ring bond data
201: ok 11062 # SSSR size matches reference
201: ok 11063 # correct SSSR count
201: ok 11064 # ring membership passed
201: ok 11065 # correct SSSR count
201: ok 11066 # ring membership passed
201: ok 11067 # correct SSSR count
201: ok 11068 # ring membership passed
201: ok 11069 # correct SSSR count
201: ok 11070 # ring membership passed
201: ok 11071 # correct SSSR count
201: ok 11072 # ring membership passed
201: ok 11073 # correct SSSR count
201: ok 11074 # ring membership passed
201: ok 11075 # correct SSSR count
201: ok 11076 # ring membership passed
201: ok 11077 # correct SSSR count
201: ok 11078 # ring membership passed
201: ok 11079 # correct SSSR count
201: ok 11080 # ring membership passed
201: ok 11081 # correct SSSR count
201: ok 11082 # ring membership passed
201: ok 11083 # correct SSSR count
201: ok 11084 # ring membership passed
201: ok 11085 # correct SSSR count
201: ok 11086 # ring membership passed
201: ok 11087 # correct SSSR count
201: ok 11088 # ring membership passed
201: ok 11089 # correct SSSR count
201: ok 11090 # ring membership passed
201: ok 11091 # correct ring bond data
201: ok 11092 # correct ring bond data
201: ok 11093 # correct ring bond data
201: ok 11094 # correct ring bond data
201: ok 11095 # correct ring bond data
201: ok 11096 # correct ring bond data
201: ok 11097 # correct ring bond data
201: ok 11098 # correct ring bond data
201: ok 11099 # correct ring bond data
201: ok 11100 # correct ring bond data
201: ok 11101 # correct ring bond data
201: ok 11102 # correct ring bond data
201: ok 11103 # correct ring bond data
201: ok 11104 # correct ring bond data
201: ok 11105 # correct ring bond data
201: ok 11106 # correct ring bond data
201: ok 11107 # correct ring bond data
201: ok 11108 # correct ring bond data
201: ok 11109 # correct ring bond data
201: ok 11110 # correct ring bond data
201: ok 11111 # correct ring bond data
201: ok 11112 # correct ring bond data
201: ok 11113 # correct ring bond data
201: ok 11114 # correct ring bond data
201: ok 11115 # correct ring bond data
201: ok 11116 # SSSR size matches reference
201: ok 11117 # correct SSSR count
201: ok 11118 # ring membership passed
201: ok 11119 # correct SSSR count
201: ok 11120 # ring membership passed
201: ok 11121 # correct SSSR count
201: ok 11122 # ring membership passed
201: ok 11123 # correct SSSR count
201: ok 11124 # ring membership passed
201: ok 11125 # correct SSSR count
201: ok 11126 # ring membership passed
201: ok 11127 # correct SSSR count
201: ok 11128 # ring membership passed
201: ok 11129 # correct SSSR count
201: ok 11130 # ring membership passed
201: ok 11131 # correct SSSR count
201: ok 11132 # ring membership passed
201: ok 11133 # correct SSSR count
201: ok 11134 # ring membership passed
201: ok 11135 # correct SSSR count
201: ok 11136 # ring membership passed
201: ok 11137 # correct SSSR count
201: ok 11138 # ring membership passed
201: ok 11139 # correct SSSR count
201: ok 11140 # ring membership passed
201: ok 11141 # correct SSSR count
201: ok 11142 # ring membership passed
201: ok 11143 # correct SSSR count
201: ok 11144 # ring membership passed
201: ok 11145 # correct SSSR count
201: ok 11146 # ring membership passed
201: ok 11147 # correct SSSR count
201: ok 11148 # ring membership passed
201: ok 11149 # correct SSSR count
201: ok 11150 # ring membership passed
201: ok 11151 # correct SSSR count
201: ok 11152 # ring membership passed
201: ok 11153 # correct SSSR count
201: ok 11154 # ring membership passed
201: ok 11155 # correct SSSR count
201: ok 11156 # ring membership passed
201: ok 11157 # correct SSSR count
201: ok 11158 # ring membership passed
201: ok 11159 # correct SSSR count
201: ok 11160 # ring membership passed
201: ok 11161 # correct SSSR count
201: ok 11162 # ring membership passed
201: ok 11163 # correct ring bond data
201: ok 11164 # correct ring bond data
201: ok 11165 # correct ring bond data
201: ok 11166 # correct ring bond data
201: ok 11167 # correct ring bond data
201: ok 11168 # correct ring bond data
201: ok 11169 # correct ring bond data
201: ok 11170 # correct ring bond data
201: ok 11171 # correct ring bond data
201: ok 11172 # correct ring bond data
201: ok 11173 # correct ring bond data
201: ok 11174 # correct ring bond data
201: ok 11175 # correct ring bond data
201: ok 11176 # correct ring bond data
201: ok 11177 # correct ring bond data
201: ok 11178 # correct ring bond data
201: ok 11179 # correct ring bond data
201: ok 11180 # correct ring bond data
201: ok 11181 # correct ring bond data
201: ok 11182 # correct ring bond data
201: ok 11183 # SSSR size matches reference
201: ok 11184 # correct SSSR count
201: ok 11185 # ring membership passed
201: ok 11186 # correct SSSR count
201: ok 11187 # ring membership passed
201: ok 11188 # correct SSSR count
201: ok 11189 # ring membership passed
201: ok 11190 # correct SSSR count
201: ok 11191 # ring membership passed
201: ok 11192 # correct SSSR count
201: ok 11193 # ring membership passed
201: ok 11194 # correct SSSR count
201: ok 11195 # ring membership passed
201: ok 11196 # correct SSSR count
201: ok 11197 # ring membership passed
201: ok 11198 # correct SSSR count
201: ok 11199 # ring membership passed
201: ok 11200 # correct SSSR count
201: ok 11201 # ring membership passed
201: ok 11202 # correct SSSR count
201: ok 11203 # ring membership passed
201: ok 11204 # correct SSSR count
201: ok 11205 # ring membership passed
201: ok 11206 # correct SSSR count
201: ok 11207 # ring membership passed
201: ok 11208 # correct SSSR count
201: ok 11209 # ring membership passed
201: ok 11210 # correct SSSR count
201: ok 11211 # ring membership passed
201: ok 11212 # correct SSSR count
201: ok 11213 # ring membership passed
201: ok 11214 # correct SSSR count
201: ok 11215 # ring membership passed
201: ok 11216 # correct SSSR count
201: ok 11217 # ring membership passed
201: ok 11218 # correct SSSR count
201: ok 11219 # ring membership passed
201: ok 11220 # correct ring bond data
201: ok 11221 # correct ring bond data
201: ok 11222 # correct ring bond data
201: ok 11223 # correct ring bond data
201: ok 11224 # correct ring bond data
201: ok 11225 # correct ring bond data
201: ok 11226 # correct ring bond data
201: ok 11227 # correct ring bond data
201: ok 11228 # correct ring bond data
201: ok 11229 # correct ring bond data
201: ok 11230 # correct ring bond data
201: ok 11231 # correct ring bond data
201: ok 11232 # correct ring bond data
201: ok 11233 # correct ring bond data
201: ok 11234 # correct ring bond data
201: ok 11235 # correct ring bond data
201: ok 11236 # correct ring bond data
201: ok 11237 # correct ring bond data
201: ok 11238 # correct ring bond data
201: ok 11239 # correct ring bond data
201: ok 11240 # SSSR size matches reference
201: ok 11241 # correct SSSR count
201: ok 11242 # ring membership passed
201: ok 11243 # correct SSSR count
201: ok 11244 # ring membership passed
201: ok 11245 # correct SSSR count
201: ok 11246 # ring membership passed
201: ok 11247 # correct SSSR count
201: ok 11248 # ring membership passed
201: ok 11249 # correct SSSR count
201: ok 11250 # ring membership passed
201: ok 11251 # correct SSSR count
201: ok 11252 # ring membership passed
201: ok 11253 # correct SSSR count
201: ok 11254 # ring membership passed
201: ok 11255 # correct SSSR count
201: ok 11256 # ring membership passed
201: ok 11257 # correct SSSR count
201: ok 11258 # ring membership passed
201: ok 11259 # correct SSSR count
201: ok 11260 # ring membership passed
201: ok 11261 # correct SSSR count
201: ok 11262 # ring membership passed
201: ok 11263 # correct SSSR count
201: ok 11264 # ring membership passed
201: ok 11265 # correct SSSR count
201: ok 11266 # ring membership passed
201: ok 11267 # correct SSSR count
201: ok 11268 # ring membership passed
201: ok 11269 # correct SSSR count
201: ok 11270 # ring membership passed
201: ok 11271 # correct SSSR count
201: ok 11272 # ring membership passed
201: ok 11273 # correct SSSR count
201: ok 11274 # ring membership passed
201: ok 11275 # correct SSSR count
201: ok 11276 # ring membership passed
201: ok 11277 # correct ring bond data
201: ok 11278 # correct ring bond data
201: ok 11279 # correct ring bond data
201: ok 11280 # correct ring bond data
201: ok 11281 # correct ring bond data
201: ok 11282 # correct ring bond data
201: ok 11283 # correct ring bond data
201: ok 11284 # correct ring bond data
201: ok 11285 # correct ring bond data
201: ok 11286 # correct ring bond data
201: ok 11287 # correct ring bond data
201: ok 11288 # correct ring bond data
201: ok 11289 # correct ring bond data
201: ok 11290 # correct ring bond data
201: ok 11291 # correct ring bond data
201: ok 11292 # correct ring bond data
201: ok 11293 # correct ring bond data
201: ok 11294 # SSSR size matches reference
201: ok 11295 # correct SSSR count
201: ok 11296 # ring membership passed
201: ok 11297 # correct SSSR count
201: ok 11298 # ring membership passed
201: ok 11299 # correct SSSR count
201: ok 11300 # ring membership passed
201: ok 11301 # correct SSSR count
201: ok 11302 # ring membership passed
201: ok 11303 # correct SSSR count
201: ok 11304 # ring membership passed
201: ok 11305 # correct SSSR count
201: ok 11306 # ring membership passed
201: ok 11307 # correct SSSR count
201: ok 11308 # ring membership passed
201: ok 11309 # correct SSSR count
201: ok 11310 # ring membership passed
201: ok 11311 # correct SSSR count
201: ok 11312 # ring membership passed
201: ok 11313 # correct SSSR count
201: ok 11314 # ring membership passed
201: ok 11315 # correct SSSR count
201: ok 11316 # ring membership passed
201: ok 11317 # correct SSSR count
201: ok 11318 # ring membership passed
201: ok 11319 # correct SSSR count
201: ok 11320 # ring membership passed
201: ok 11321 # correct SSSR count
201: ok 11322 # ring membership passed
201: ok 11323 # correct SSSR count
201: ok 11324 # ring membership passed
201: ok 11325 # correct SSSR count
201: ok 11326 # ring membership passed
201: ok 11327 # correct SSSR count
201: ok 11328 # ring membership passed
201: ok 11329 # correct ring bond data
201: ok 11330 # correct ring bond data
201: ok 11331 # correct ring bond data
201: ok 11332 # correct ring bond data
201: ok 11333 # correct ring bond data
201: ok 11334 # correct ring bond data
201: ok 11335 # correct ring bond data
201: ok 11336 # correct ring bond data
201: ok 11337 # correct ring bond data
201: ok 11338 # correct ring bond data
201: ok 11339 # correct ring bond data
201: ok 11340 # correct ring bond data
201: ok 11341 # correct ring bond data
201: ok 11342 # correct ring bond data
201: ok 11343 # correct ring bond data
201: ok 11344 # correct ring bond data
201: ok 11345 # correct ring bond data
201: ok 11346 # correct ring bond data
201: ok 11347 # correct ring bond data
201: ok 11348 # correct ring bond data
201: ok 11349 # correct ring bond data
201: ok 11350 # correct ring bond data
201: ok 11351 # correct ring bond data
201: ok 11352 # correct ring bond data
201: ok 11353 # correct ring bond data
201: ok 11354 # correct ring bond data
201: ok 11355 # correct ring bond data
201: ok 11356 # correct ring bond data
201: ok 11357 # correct ring bond data
201: ok 11358 # correct ring bond data
201: ok 11359 # correct ring bond data
201: ok 11360 # SSSR size matches reference
201: ok 11361 # correct SSSR count
201: ok 11362 # ring membership passed
201: ok 11363 # correct SSSR count
201: ok 11364 # ring membership passed
201: ok 11365 # correct SSSR count
201: ok 11366 # ring membership passed
201: ok 11367 # correct SSSR count
201: ok 11368 # ring membership passed
201: ok 11369 # correct SSSR count
201: ok 11370 # ring membership passed
201: ok 11371 # correct SSSR count
201: ok 11372 # ring membership passed
201: ok 11373 # correct SSSR count
201: ok 11374 # ring membership passed
201: ok 11375 # correct SSSR count
201: ok 11376 # ring membership passed
201: ok 11377 # correct SSSR count
201: ok 11378 # ring membership passed
201: ok 11379 # correct SSSR count
201: ok 11380 # ring membership passed
201: ok 11381 # correct SSSR count
201: ok 11382 # ring membership passed
201: ok 11383 # correct SSSR count
201: ok 11384 # ring membership passed
201: ok 11385 # correct SSSR count
201: ok 11386 # ring membership passed
201: ok 11387 # correct SSSR count
201: ok 11388 # ring membership passed
201: ok 11389 # correct SSSR count
201: ok 11390 # ring membership passed
201: ok 11391 # correct SSSR count
201: ok 11392 # ring membership passed
201: ok 11393 # correct SSSR count
201: ok 11394 # ring membership passed
201: ok 11395 # correct SSSR count
201: ok 11396 # ring membership passed
201: ok 11397 # correct SSSR count
201: ok 11398 # ring membership passed
201: ok 11399 # correct SSSR count
201: ok 11400 # ring membership passed
201: ok 11401 # correct SSSR count
201: ok 11402 # ring membership passed
201: ok 11403 # correct SSSR count
201: ok 11404 # ring membership passed
201: ok 11405 # correct SSSR count
201: ok 11406 # ring membership passed
201: ok 11407 # correct SSSR count
201: ok 11408 # ring membership passed
201: ok 11409 # correct SSSR count
201: ok 11410 # ring membership passed
201: ok 11411 # correct SSSR count
201: ok 11412 # ring membership passed
201: ok 11413 # correct SSSR count
201: ok 11414 # ring membership passed
201: ok 11415 # correct SSSR count
201: ok 11416 # ring membership passed
201: ok 11417 # correct SSSR count
201: ok 11418 # ring membership passed
201: ok 11419 # correct ring bond data
201: ok 11420 # correct ring bond data
201: ok 11421 # correct ring bond data
201: ok 11422 # correct ring bond data
201: ok 11423 # correct ring bond data
201: ok 11424 # correct ring bond data
201: ok 11425 # correct ring bond data
201: ok 11426 # correct ring bond data
201: ok 11427 # correct ring bond data
201: ok 11428 # correct ring bond data
201: ok 11429 # correct ring bond data
201: ok 11430 # correct ring bond data
201: ok 11431 # correct ring bond data
201: ok 11432 # correct ring bond data
201: ok 11433 # correct ring bond data
201: ok 11434 # correct ring bond data
201: ok 11435 # correct ring bond data
201: ok 11436 # correct ring bond data
201: ok 11437 # correct ring bond data
201: ok 11438 # SSSR size matches reference
201: ok 11439 # correct SSSR count
201: ok 11440 # ring membership passed
201: ok 11441 # correct SSSR count
201: ok 11442 # ring membership passed
201: ok 11443 # correct SSSR count
201: ok 11444 # ring membership passed
201: ok 11445 # correct SSSR count
201: ok 11446 # ring membership passed
201: ok 11447 # correct SSSR count
201: ok 11448 # ring membership passed
201: ok 11449 # correct SSSR count
201: ok 11450 # ring membership passed
201: ok 11451 # correct SSSR count
201: ok 11452 # ring membership passed
201: ok 11453 # correct SSSR count
201: ok 11454 # ring membership passed
201: ok 11455 # correct SSSR count
201: ok 11456 # ring membership passed
201: ok 11457 # correct SSSR count
201: ok 11458 # ring membership passed
201: ok 11459 # correct SSSR count
201: ok 11460 # ring membership passed
201: ok 11461 # correct SSSR count
201: ok 11462 # ring membership passed
201: ok 11463 # correct SSSR count
201: ok 11464 # ring membership passed
201: ok 11465 # correct SSSR count
201: ok 11466 # ring membership passed
201: ok 11467 # correct SSSR count
201: ok 11468 # ring membership passed
201: ok 11469 # correct SSSR count
201: ok 11470 # ring membership passed
201: ok 11471 # correct SSSR count
201: ok 11472 # ring membership passed
201: ok 11473 # correct SSSR count
201: ok 11474 # ring membership passed
201: ok 11475 # correct ring bond data
201: ok 11476 # correct ring bond data
201: ok 11477 # correct ring bond data
201: ok 11478 # correct ring bond data
201: ok 11479 # correct ring bond data
201: ok 11480 # correct ring bond data
201: ok 11481 # correct ring bond data
201: ok 11482 # correct ring bond data
201: ok 11483 # correct ring bond data
201: ok 11484 # correct ring bond data
201: ok 11485 # correct ring bond data
201: ok 11486 # correct ring bond data
201: ok 11487 # correct ring bond data
201: ok 11488 # correct ring bond data
201: ok 11489 # correct ring bond data
201: ok 11490 # correct ring bond data
201: ok 11491 # correct ring bond data
201: ok 11492 # correct ring bond data
201: ok 11493 # correct ring bond data
201: ok 11494 # correct ring bond data
201: ok 11495 # SSSR size matches reference
201: ok 11496 # correct SSSR count
201: ok 11497 # ring membership passed
201: ok 11498 # correct SSSR count
201: ok 11499 # ring membership passed
201: ok 11500 # correct SSSR count
201: ok 11501 # ring membership passed
201: ok 11502 # correct SSSR count
201: ok 11503 # ring membership passed
201: ok 11504 # correct SSSR count
201: ok 11505 # ring membership passed
201: ok 11506 # correct SSSR count
201: ok 11507 # ring membership passed
201: ok 11508 # correct SSSR count
201: ok 11509 # ring membership passed
201: ok 11510 # correct SSSR count
201: ok 11511 # ring membership passed
201: ok 11512 # correct SSSR count
201: ok 11513 # ring membership passed
201: ok 11514 # correct SSSR count
201: ok 11515 # ring membership passed
201: ok 11516 # correct SSSR count
201: ok 11517 # ring membership passed
201: ok 11518 # correct SSSR count
201: ok 11519 # ring membership passed
201: ok 11520 # correct SSSR count
201: ok 11521 # ring membership passed
201: ok 11522 # correct SSSR count
201: ok 11523 # ring membership passed
201: ok 11524 # correct SSSR count
201: ok 11525 # ring membership passed
201: ok 11526 # correct SSSR count
201: ok 11527 # ring membership passed
201: ok 11528 # correct SSSR count
201: ok 11529 # ring membership passed
201: ok 11530 # correct SSSR count
201: ok 11531 # ring membership passed
201: ok 11532 # correct SSSR count
201: ok 11533 # ring membership passed
201: ok 11534 # correct ring bond data
201: ok 11535 # correct ring bond data
201: ok 11536 # correct ring bond data
201: ok 11537 # correct ring bond data
201: ok 11538 # correct ring bond data
201: ok 11539 # correct ring bond data
201: ok 11540 # correct ring bond data
201: ok 11541 # correct ring bond data
201: ok 11542 # correct ring bond data
201: ok 11543 # correct ring bond data
201: ok 11544 # correct ring bond data
201: ok 11545 # correct ring bond data
201: ok 11546 # correct ring bond data
201: ok 11547 # correct ring bond data
201: ok 11548 # correct ring bond data
201: ok 11549 # correct ring bond data
201: ok 11550 # correct ring bond data
201: ok 11551 # correct ring bond data
201: ok 11552 # correct ring bond data
201: ok 11553 # correct ring bond data
201: ok 11554 # correct ring bond data
201: ok 11555 # SSSR size matches reference
201: ok 11556 # correct SSSR count
201: ok 11557 # ring membership passed
201: ok 11558 # correct SSSR count
201: ok 11559 # ring membership passed
201: ok 11560 # correct SSSR count
201: ok 11561 # ring membership passed
201: ok 11562 # correct SSSR count
201: ok 11563 # ring membership passed
201: ok 11564 # correct SSSR count
201: ok 11565 # ring membership passed
201: ok 11566 # correct SSSR count
201: ok 11567 # ring membership passed
201: ok 11568 # correct SSSR count
201: ok 11569 # ring membership passed
201: ok 11570 # correct SSSR count
201: ok 11571 # ring membership passed
201: ok 11572 # correct SSSR count
201: ok 11573 # ring membership passed
201: ok 11574 # correct SSSR count
201: ok 11575 # ring membership passed
201: ok 11576 # correct SSSR count
201: ok 11577 # ring membership passed
201: ok 11578 # correct SSSR count
201: ok 11579 # ring membership passed
201: ok 11580 # correct SSSR count
201: ok 11581 # ring membership passed
201: ok 11582 # correct SSSR count
201: ok 11583 # ring membership passed
201: ok 11584 # correct SSSR count
201: ok 11585 # ring membership passed
201: ok 11586 # correct SSSR count
201: ok 11587 # ring membership passed
201: ok 11588 # correct SSSR count
201: ok 11589 # ring membership passed
201: ok 11590 # correct SSSR count
201: ok 11591 # ring membership passed
201: ok 11592 # correct SSSR count
201: ok 11593 # ring membership passed
201: ok 11594 # correct SSSR count
201: ok 11595 # ring membership passed
201: ok 11596 # correct ring bond data
201: ok 11597 # correct ring bond data
201: ok 11598 # correct ring bond data
201: ok 11599 # correct ring bond data
201: ok 11600 # correct ring bond data
201: ok 11601 # correct ring bond data
201: ok 11602 # correct ring bond data
201: ok 11603 # correct ring bond data
201: ok 11604 # correct ring bond data
201: ok 11605 # correct ring bond data
201: ok 11606 # correct ring bond data
201: ok 11607 # correct ring bond data
201: ok 11608 # SSSR size matches reference
201: ok 11609 # correct SSSR count
201: ok 11610 # ring membership passed
201: ok 11611 # correct SSSR count
201: ok 11612 # ring membership passed
201: ok 11613 # correct SSSR count
201: ok 11614 # ring membership passed
201: ok 11615 # correct SSSR count
201: ok 11616 # ring membership passed
201: ok 11617 # correct SSSR count
201: ok 11618 # ring membership passed
201: ok 11619 # correct SSSR count
201: ok 11620 # ring membership passed
201: ok 11621 # correct SSSR count
201: ok 11622 # ring membership passed
201: ok 11623 # correct SSSR count
201: ok 11624 # ring membership passed
201: ok 11625 # correct SSSR count
201: ok 11626 # ring membership passed
201: ok 11627 # correct SSSR count
201: ok 11628 # ring membership passed
201: ok 11629 # correct SSSR count
201: ok 11630 # ring membership passed
201: ok 11631 # correct ring bond data
201: ok 11632 # correct ring bond data
201: ok 11633 # correct ring bond data
201: ok 11634 # correct ring bond data
201: ok 11635 # correct ring bond data
201: ok 11636 # correct ring bond data
201: ok 11637 # correct ring bond data
201: ok 11638 # correct ring bond data
201: ok 11639 # correct ring bond data
201: ok 11640 # correct ring bond data
201: ok 11641 # correct ring bond data
201: ok 11642 # correct ring bond data
201: ok 11643 # correct ring bond data
201: ok 11644 # correct ring bond data
201: ok 11645 # correct ring bond data
201: ok 11646 # correct ring bond data
201: ok 11647 # correct ring bond data
201: ok 11648 # correct ring bond data
201: ok 11649 # correct ring bond data
201: ok 11650 # correct ring bond data
201: ok 11651 # SSSR size matches reference
201: ok 11652 # correct SSSR count
201: ok 11653 # ring membership passed
201: ok 11654 # correct SSSR count
201: ok 11655 # ring membership passed
201: ok 11656 # correct SSSR count
201: ok 11657 # ring membership passed
201: ok 11658 # correct SSSR count
201: ok 11659 # ring membership passed
201: ok 11660 # correct SSSR count
201: ok 11661 # ring membership passed
201: ok 11662 # correct SSSR count
201: ok 11663 # ring membership passed
201: ok 11664 # correct SSSR count
201: ok 11665 # ring membership passed
201: ok 11666 # correct SSSR count
201: ok 11667 # ring membership passed
201: ok 11668 # correct SSSR count
201: ok 11669 # ring membership passed
201: ok 11670 # correct SSSR count
201: ok 11671 # ring membership passed
201: ok 11672 # correct SSSR count
201: ok 11673 # ring membership passed
201: ok 11674 # correct SSSR count
201: ok 11675 # ring membership passed
201: ok 11676 # correct SSSR count
201: ok 11677 # ring membership passed
201: ok 11678 # correct SSSR count
201: ok 11679 # ring membership passed
201: ok 11680 # correct SSSR count
201: ok 11681 # ring membership passed
201: ok 11682 # correct SSSR count
201: ok 11683 # ring membership passed
201: ok 11684 # correct SSSR count
201: ok 11685 # ring membership passed
201: ok 11686 # correct SSSR count
201: ok 11687 # ring membership passed
201: ok 11688 # correct SSSR count
201: ok 11689 # ring membership passed
201: ok 11690 # correct ring bond data
201: ok 11691 # correct ring bond data
201: ok 11692 # correct ring bond data
201: ok 11693 # correct ring bond data
201: ok 11694 # correct ring bond data
201: ok 11695 # correct ring bond data
201: ok 11696 # correct ring bond data
201: ok 11697 # correct ring bond data
201: ok 11698 # correct ring bond data
201: ok 11699 # correct ring bond data
201: ok 11700 # correct ring bond data
201: ok 11701 # correct ring bond data
201: ok 11702 # correct ring bond data
201: ok 11703 # SSSR size matches reference
201: ok 11704 # correct SSSR count
201: ok 11705 # ring membership passed
201: ok 11706 # correct SSSR count
201: ok 11707 # ring membership passed
201: ok 11708 # correct SSSR count
201: ok 11709 # ring membership passed
201: ok 11710 # correct SSSR count
201: ok 11711 # ring membership passed
201: ok 11712 # correct SSSR count
201: ok 11713 # ring membership passed
201: ok 11714 # correct SSSR count
201: ok 11715 # ring membership passed
201: ok 11716 # correct SSSR count
201: ok 11717 # ring membership passed
201: ok 11718 # correct SSSR count
201: ok 11719 # ring membership passed
201: ok 11720 # correct SSSR count
201: ok 11721 # ring membership passed
201: ok 11722 # correct SSSR count
201: ok 11723 # ring membership passed
201: ok 11724 # correct SSSR count
201: ok 11725 # ring membership passed
201: ok 11726 # correct SSSR count
201: ok 11727 # ring membership passed
201: ok 11728 # correct ring bond data
201: ok 11729 # correct ring bond data
201: ok 11730 # correct ring bond data
201: ok 11731 # correct ring bond data
201: ok 11732 # correct ring bond data
201: ok 11733 # correct ring bond data
201: ok 11734 # correct ring bond data
201: ok 11735 # correct ring bond data
201: ok 11736 # correct ring bond data
201: ok 11737 # correct ring bond data
201: ok 11738 # correct ring bond data
201: ok 11739 # correct ring bond data
201: ok 11740 # correct ring bond data
201: ok 11741 # correct ring bond data
201: ok 11742 # correct ring bond data
201: ok 11743 # correct ring bond data
201: ok 11744 # correct ring bond data
201: ok 11745 # correct ring bond data
201: ok 11746 # correct ring bond data
201: ok 11747 # correct ring bond data
201: ok 11748 # correct ring bond data
201: ok 11749 # correct ring bond data
201: ok 11750 # correct ring bond data
201: ok 11751 # correct ring bond data
201: ok 11752 # correct ring bond data
201: ok 11753 # correct ring bond data
201: ok 11754 # correct ring bond data
201: ok 11755 # correct ring bond data
201: ok 11756 # correct ring bond data
201: ok 11757 # SSSR size matches reference
201: ok 11758 # correct SSSR count
201: ok 11759 # ring membership passed
201: ok 11760 # correct SSSR count
201: ok 11761 # ring membership passed
201: ok 11762 # correct SSSR count
201: ok 11763 # ring membership passed
201: ok 11764 # correct SSSR count
201: ok 11765 # ring membership passed
201: ok 11766 # correct SSSR count
201: ok 11767 # ring membership passed
201: ok 11768 # correct SSSR count
201: ok 11769 # ring membership passed
201: ok 11770 # correct SSSR count
201: ok 11771 # ring membership passed
201: ok 11772 # correct SSSR count
201: ok 11773 # ring membership passed
201: ok 11774 # correct SSSR count
201: ok 11775 # ring membership passed
201: ok 11776 # correct SSSR count
201: ok 11777 # ring membership passed
201: ok 11778 # correct SSSR count
201: ok 11779 # ring membership passed
201: ok 11780 # correct SSSR count
201: ok 11781 # ring membership passed
201: ok 11782 # correct SSSR count
201: ok 11783 # ring membership passed
201: ok 11784 # correct SSSR count
201: ok 11785 # ring membership passed
201: ok 11786 # correct SSSR count
201: ok 11787 # ring membership passed
201: ok 11788 # correct SSSR count
201: ok 11789 # ring membership passed
201: ok 11790 # correct SSSR count
201: ok 11791 # ring membership passed
201: ok 11792 # correct SSSR count
201: ok 11793 # ring membership passed
201: ok 11794 # correct SSSR count
201: ok 11795 # ring membership passed
201: ok 11796 # correct SSSR count
201: ok 11797 # ring membership passed
201: ok 11798 # correct SSSR count
201: ok 11799 # ring membership passed
201: ok 11800 # correct SSSR count
201: ok 11801 # ring membership passed
201: ok 11802 # correct SSSR count
201: ok 11803 # ring membership passed
201: ok 11804 # correct SSSR count
201: ok 11805 # ring membership passed
201: ok 11806 # correct SSSR count
201: ok 11807 # ring membership passed
201: ok 11808 # correct SSSR count
201: ok 11809 # ring membership passed
201: ok 11810 # correct ring bond data
201: ok 11811 # correct ring bond data
201: ok 11812 # correct ring bond data
201: ok 11813 # correct ring bond data
201: ok 11814 # correct ring bond data
201: ok 11815 # correct ring bond data
201: ok 11816 # correct ring bond data
201: ok 11817 # correct ring bond data
201: ok 11818 # correct ring bond data
201: ok 11819 # correct ring bond data
201: ok 11820 # correct ring bond data
201: ok 11821 # correct ring bond data
201: ok 11822 # correct ring bond data
201: ok 11823 # correct ring bond data
201: ok 11824 # correct ring bond data
201: ok 11825 # correct ring bond data
201: ok 11826 # correct ring bond data
201: ok 11827 # correct ring bond data
201: ok 11828 # correct ring bond data
201: ok 11829 # correct ring bond data
201: ok 11830 # correct ring bond data
201: ok 11831 # correct ring bond data
201: ok 11832 # correct ring bond data
201: ok 11833 # correct ring bond data
201: ok 11834 # correct ring bond data
201: ok 11835 # correct ring bond data
201: ok 11836 # correct ring bond data
201: ok 11837 # correct ring bond data
201: ok 11838 # correct ring bond data
201: ok 11839 # correct ring bond data
201: ok 11840 # correct ring bond data
201: ok 11841 # SSSR size matches reference
201: ok 11842 # correct SSSR count
201: ok 11843 # ring membership passed
201: ok 11844 # correct SSSR count
201: ok 11845 # ring membership passed
201: ok 11846 # correct SSSR count
201: ok 11847 # ring membership passed
201: ok 11848 # correct SSSR count
201: ok 11849 # ring membership passed
201: ok 11850 # correct SSSR count
201: ok 11851 # ring membership passed
201: ok 11852 # correct SSSR count
201: ok 11853 # ring membership passed
201: ok 11854 # correct SSSR count
201: ok 11855 # ring membership passed
201: ok 11856 # correct SSSR count
201: ok 11857 # ring membership passed
201: ok 11858 # correct SSSR count
201: ok 11859 # ring membership passed
201: ok 11860 # correct SSSR count
201: ok 11861 # ring membership passed
201: ok 11862 # correct SSSR count
201: ok 11863 # ring membership passed
201: ok 11864 # correct SSSR count
201: ok 11865 # ring membership passed
201: ok 11866 # correct SSSR count
201: ok 11867 # ring membership passed
201: ok 11868 # correct SSSR count
201: ok 11869 # ring membership passed
201: ok 11870 # correct SSSR count
201: ok 11871 # ring membership passed
201: ok 11872 # correct SSSR count
201: ok 11873 # ring membership passed
201: ok 11874 # correct SSSR count
201: ok 11875 # ring membership passed
201: ok 11876 # correct SSSR count
201: ok 11877 # ring membership passed
201: ok 11878 # correct SSSR count
201: ok 11879 # ring membership passed
201: ok 11880 # correct SSSR count
201: ok 11881 # ring membership passed
201: ok 11882 # correct SSSR count
201: ok 11883 # ring membership passed
201: ok 11884 # correct SSSR count
201: ok 11885 # ring membership passed
201: ok 11886 # correct SSSR count
201: ok 11887 # ring membership passed
201: ok 11888 # correct SSSR count
201: ok 11889 # ring membership passed
201: ok 11890 # correct SSSR count
201: ok 11891 # ring membership passed
201: ok 11892 # correct SSSR count
201: ok 11893 # ring membership passed
201: ok 11894 # correct SSSR count
201: ok 11895 # ring membership passed
201: ok 11896 # correct SSSR count
201: ok 11897 # ring membership passed
201: ok 11898 # correct SSSR count
201: ok 11899 # ring membership passed
201: ok 11900 # correct ring bond data
201: ok 11901 # correct ring bond data
201: ok 11902 # correct ring bond data
201: ok 11903 # correct ring bond data
201: ok 11904 # correct ring bond data
201: ok 11905 # correct ring bond data
201: ok 11906 # correct ring bond data
201: ok 11907 # correct ring bond data
201: ok 11908 # correct ring bond data
201: ok 11909 # correct ring bond data
201: ok 11910 # correct ring bond data
201: ok 11911 # correct ring bond data
201: ok 11912 # correct ring bond data
201: ok 11913 # correct ring bond data
201: ok 11914 # correct ring bond data
201: ok 11915 # SSSR size matches reference
201: ok 11916 # correct SSSR count
201: ok 11917 # ring membership passed
201: ok 11918 # correct SSSR count
201: ok 11919 # ring membership passed
201: ok 11920 # correct SSSR count
201: ok 11921 # ring membership passed
201: ok 11922 # correct SSSR count
201: ok 11923 # ring membership passed
201: ok 11924 # correct SSSR count
201: ok 11925 # ring membership passed
201: ok 11926 # correct SSSR count
201: ok 11927 # ring membership passed
201: ok 11928 # correct SSSR count
201: ok 11929 # ring membership passed
201: ok 11930 # correct SSSR count
201: ok 11931 # ring membership passed
201: ok 11932 # correct SSSR count
201: ok 11933 # ring membership passed
201: ok 11934 # correct SSSR count
201: ok 11935 # ring membership passed
201: ok 11936 # correct SSSR count
201: ok 11937 # ring membership passed
201: ok 11938 # correct SSSR count
201: ok 11939 # ring membership passed
201: ok 11940 # correct SSSR count
201: ok 11941 # ring membership passed
201: ok 11942 # correct SSSR count
201: ok 11943 # ring membership passed
201: ok 11944 # correct SSSR count
201: ok 11945 # ring membership passed
201: ok 11946 # correct ring bond data
201: ok 11947 # correct ring bond data
201: ok 11948 # correct ring bond data
201: ok 11949 # correct ring bond data
201: ok 11950 # correct ring bond data
201: ok 11951 # correct ring bond data
201: ok 11952 # correct ring bond data
201: ok 11953 # correct ring bond data
201: ok 11954 # correct ring bond data
201: ok 11955 # correct ring bond data
201: ok 11956 # correct ring bond data
201: ok 11957 # correct ring bond data
201: ok 11958 # correct ring bond data
201: ok 11959 # correct ring bond data
201: ok 11960 # correct ring bond data
201: ok 11961 # correct ring bond data
201: ok 11962 # correct ring bond data
201: ok 11963 # correct ring bond data
201: ok 11964 # correct ring bond data
201: ok 11965 # correct ring bond data
201: ok 11966 # correct ring bond data
201: ok 11967 # correct ring bond data
201: ok 11968 # correct ring bond data
201: ok 11969 # correct ring bond data
201: ok 11970 # correct ring bond data
201: ok 11971 # correct ring bond data
201: ok 11972 # correct ring bond data
201: ok 11973 # correct ring bond data
201: ok 11974 # correct ring bond data
201: ok 11975 # correct ring bond data
201: ok 11976 # correct ring bond data
201: ok 11977 # SSSR size matches reference
201: ok 11978 # correct SSSR count
201: ok 11979 # ring membership passed
201: ok 11980 # correct SSSR count
201: ok 11981 # ring membership passed
201: ok 11982 # correct SSSR count
201: ok 11983 # ring membership passed
201: ok 11984 # correct SSSR count
201: ok 11985 # ring membership passed
201: ok 11986 # correct SSSR count
201: ok 11987 # ring membership passed
201: ok 11988 # correct SSSR count
201: ok 11989 # ring membership passed
201: ok 11990 # correct SSSR count
201: ok 11991 # ring membership passed
201: ok 11992 # correct SSSR count
201: ok 11993 # ring membership passed
201: ok 11994 # correct SSSR count
201: ok 11995 # ring membership passed
201: ok 11996 # correct SSSR count
201: ok 11997 # ring membership passed
201: ok 11998 # correct SSSR count
201: ok 11999 # ring membership passed
201: ok 12000 # correct SSSR count
201: ok 12001 # ring membership passed
201: ok 12002 # correct SSSR count
201: ok 12003 # ring membership passed
201: ok 12004 # correct SSSR count
201: ok 12005 # ring membership passed
201: ok 12006 # correct SSSR count
201: ok 12007 # ring membership passed
201: ok 12008 # correct SSSR count
201: ok 12009 # ring membership passed
201: ok 12010 # correct SSSR count
201: ok 12011 # ring membership passed
201: ok 12012 # correct SSSR count
201: ok 12013 # ring membership passed
201: ok 12014 # correct SSSR count
201: ok 12015 # ring membership passed
201: ok 12016 # correct SSSR count
201: ok 12017 # ring membership passed
201: ok 12018 # correct SSSR count
201: ok 12019 # ring membership passed
201: ok 12020 # correct SSSR count
201: ok 12021 # ring membership passed
201: ok 12022 # correct SSSR count
201: ok 12023 # ring membership passed
201: ok 12024 # correct SSSR count
201: ok 12025 # ring membership passed
201: ok 12026 # correct SSSR count
201: ok 12027 # ring membership passed
201: ok 12028 # correct SSSR count
201: ok 12029 # ring membership passed
201: ok 12030 # correct SSSR count
201: ok 12031 # ring membership passed
201: ok 12032 # correct SSSR count
201: ok 12033 # ring membership passed
201: ok 12034 # correct ring bond data
201: ok 12035 # correct ring bond data
201: ok 12036 # correct ring bond data
201: ok 12037 # correct ring bond data
201: ok 12038 # correct ring bond data
201: ok 12039 # correct ring bond data
201: ok 12040 # correct ring bond data
201: ok 12041 # correct ring bond data
201: ok 12042 # correct ring bond data
201: ok 12043 # correct ring bond data
201: ok 12044 # correct ring bond data
201: ok 12045 # correct ring bond data
201: ok 12046 # correct ring bond data
201: ok 12047 # correct ring bond data
201: ok 12048 # correct ring bond data
201: ok 12049 # correct ring bond data
201: ok 12050 # correct ring bond data
201: ok 12051 # SSSR size matches reference
201: ok 12052 # correct SSSR count
201: ok 12053 # ring membership passed
201: ok 12054 # correct SSSR count
201: ok 12055 # ring membership passed
201: ok 12056 # correct SSSR count
201: ok 12057 # ring membership passed
201: ok 12058 # correct SSSR count
201: ok 12059 # ring membership passed
201: ok 12060 # correct SSSR count
201: ok 12061 # ring membership passed
201: ok 12062 # correct SSSR count
201: ok 12063 # ring membership passed
201: ok 12064 # correct SSSR count
201: ok 12065 # ring membership passed
201: ok 12066 # correct SSSR count
201: ok 12067 # ring membership passed
201: ok 12068 # correct SSSR count
201: ok 12069 # ring membership passed
201: ok 12070 # correct SSSR count
201: ok 12071 # ring membership passed
201: ok 12072 # correct SSSR count
201: ok 12073 # ring membership passed
201: ok 12074 # correct SSSR count
201: ok 12075 # ring membership passed
201: ok 12076 # correct SSSR count
201: ok 12077 # ring membership passed
201: ok 12078 # correct SSSR count
201: ok 12079 # ring membership passed
201: ok 12080 # correct SSSR count
201: ok 12081 # ring membership passed
201: ok 12082 # correct SSSR count
201: ok 12083 # ring membership passed
201: ok 12084 # correct SSSR count
201: ok 12085 # ring membership passed
201: ok 12086 # correct ring bond data
201: ok 12087 # correct ring bond data
201: ok 12088 # correct ring bond data
201: ok 12089 # correct ring bond data
201: ok 12090 # correct ring bond data
201: ok 12091 # correct ring bond data
201: ok 12092 # correct ring bond data
201: ok 12093 # correct ring bond data
201: ok 12094 # correct ring bond data
201: ok 12095 # correct ring bond data
201: ok 12096 # correct ring bond data
201: ok 12097 # correct ring bond data
201: ok 12098 # correct ring bond data
201: ok 12099 # correct ring bond data
201: ok 12100 # correct ring bond data
201: ok 12101 # correct ring bond data
201: ok 12102 # correct ring bond data
201: ok 12103 # correct ring bond data
201: ok 12104 # correct ring bond data
201: ok 12105 # correct ring bond data
201: ok 12106 # correct ring bond data
201: ok 12107 # correct ring bond data
201: ok 12108 # correct ring bond data
201: ok 12109 # correct ring bond data
201: ok 12110 # correct ring bond data
201: ok 12111 # correct ring bond data
201: ok 12112 # SSSR size matches reference
201: ok 12113 # correct SSSR count
201: ok 12114 # ring membership passed
201: ok 12115 # correct SSSR count
201: ok 12116 # ring membership passed
201: ok 12117 # correct SSSR count
201: ok 12118 # ring membership passed
201: ok 12119 # correct SSSR count
201: ok 12120 # ring membership passed
201: ok 12121 # correct SSSR count
201: ok 12122 # ring membership passed
201: ok 12123 # correct SSSR count
201: ok 12124 # ring membership passed
201: ok 12125 # correct SSSR count
201: ok 12126 # ring membership passed
201: ok 12127 # correct SSSR count
201: ok 12128 # ring membership passed
201: ok 12129 # correct SSSR count
201: ok 12130 # ring membership passed
201: ok 12131 # correct SSSR count
201: ok 12132 # ring membership passed
201: ok 12133 # correct SSSR count
201: ok 12134 # ring membership passed
201: ok 12135 # correct SSSR count
201: ok 12136 # ring membership passed
201: ok 12137 # correct SSSR count
201: ok 12138 # ring membership passed
201: ok 12139 # correct SSSR count
201: ok 12140 # ring membership passed
201: ok 12141 # correct SSSR count
201: ok 12142 # ring membership passed
201: ok 12143 # correct SSSR count
201: ok 12144 # ring membership passed
201: ok 12145 # correct SSSR count
201: ok 12146 # ring membership passed
201: ok 12147 # correct SSSR count
201: ok 12148 # ring membership passed
201: ok 12149 # correct SSSR count
201: ok 12150 # ring membership passed
201: ok 12151 # correct SSSR count
201: ok 12152 # ring membership passed
201: ok 12153 # correct SSSR count
201: ok 12154 # ring membership passed
201: ok 12155 # correct SSSR count
201: ok 12156 # ring membership passed
201: ok 12157 # correct SSSR count
201: ok 12158 # ring membership passed
201: ok 12159 # correct SSSR count
201: ok 12160 # ring membership passed
201: ok 12161 # correct ring bond data
201: ok 12162 # correct ring bond data
201: ok 12163 # correct ring bond data
201: ok 12164 # correct ring bond data
201: ok 12165 # correct ring bond data
201: ok 12166 # correct ring bond data
201: ok 12167 # correct ring bond data
201: ok 12168 # correct ring bond data
201: ok 12169 # correct ring bond data
201: ok 12170 # correct ring bond data
201: ok 12171 # correct ring bond data
201: ok 12172 # correct ring bond data
201: ok 12173 # correct ring bond data
201: ok 12174 # correct ring bond data
201: ok 12175 # correct ring bond data
201: ok 12176 # correct ring bond data
201: ok 12177 # correct ring bond data
201: ok 12178 # correct ring bond data
201: ok 12179 # correct ring bond data
201: ok 12180 # correct ring bond data
201: ok 12181 # correct ring bond data
201: ok 12182 # correct ring bond data
201: ok 12183 # correct ring bond data
201: ok 12184 # correct ring bond data
201: ok 12185 # correct ring bond data
201: ok 12186 # correct ring bond data
201: ok 12187 # correct ring bond data
201: ok 12188 # correct ring bond data
201: ok 12189 # SSSR size matches reference
201: ok 12190 # correct SSSR count
201: ok 12191 # ring membership passed
201: ok 12192 # correct SSSR count
201: ok 12193 # ring membership passed
201: ok 12194 # correct SSSR count
201: ok 12195 # ring membership passed
201: ok 12196 # correct SSSR count
201: ok 12197 # ring membership passed
201: ok 12198 # correct SSSR count
201: ok 12199 # ring membership passed
201: ok 12200 # correct SSSR count
201: ok 12201 # ring membership passed
201: ok 12202 # correct SSSR count
201: ok 12203 # ring membership passed
201: ok 12204 # correct SSSR count
201: ok 12205 # ring membership passed
201: ok 12206 # correct SSSR count
201: ok 12207 # ring membership passed
201: ok 12208 # correct SSSR count
201: ok 12209 # ring membership passed
201: ok 12210 # correct SSSR count
201: ok 12211 # ring membership passed
201: ok 12212 # correct SSSR count
201: ok 12213 # ring membership passed
201: ok 12214 # correct SSSR count
201: ok 12215 # ring membership passed
201: ok 12216 # correct SSSR count
201: ok 12217 # ring membership passed
201: ok 12218 # correct SSSR count
201: ok 12219 # ring membership passed
201: ok 12220 # correct SSSR count
201: ok 12221 # ring membership passed
201: ok 12222 # correct SSSR count
201: ok 12223 # ring membership passed
201: ok 12224 # correct SSSR count
201: ok 12225 # ring membership passed
201: ok 12226 # correct SSSR count
201: ok 12227 # ring membership passed
201: ok 12228 # correct SSSR count
201: ok 12229 # ring membership passed
201: ok 12230 # correct SSSR count
201: ok 12231 # ring membership passed
201: ok 12232 # correct SSSR count
201: ok 12233 # ring membership passed
201: ok 12234 # correct SSSR count
201: ok 12235 # ring membership passed
201: ok 12236 # correct SSSR count
201: ok 12237 # ring membership passed
201: ok 12238 # correct SSSR count
201: ok 12239 # ring membership passed
201: ok 12240 # correct SSSR count
201: ok 12241 # ring membership passed
201: ok 12242 # correct ring bond data
201: ok 12243 # correct ring bond data
201: ok 12244 # correct ring bond data
201: ok 12245 # correct ring bond data
201: ok 12246 # correct ring bond data
201: ok 12247 # correct ring bond data
201: ok 12248 # correct ring bond data
201: ok 12249 # correct ring bond data
201: ok 12250 # correct ring bond data
201: ok 12251 # SSSR size matches reference
201: ok 12252 # correct SSSR count
201: ok 12253 # ring membership passed
201: ok 12254 # correct SSSR count
201: ok 12255 # ring membership passed
201: ok 12256 # correct SSSR count
201: ok 12257 # ring membership passed
201: ok 12258 # correct SSSR count
201: ok 12259 # ring membership passed
201: ok 12260 # correct SSSR count
201: ok 12261 # ring membership passed
201: ok 12262 # correct SSSR count
201: ok 12263 # ring membership passed
201: ok 12264 # correct SSSR count
201: ok 12265 # ring membership passed
201: ok 12266 # correct SSSR count
201: ok 12267 # ring membership passed
201: ok 12268 # correct SSSR count
201: ok 12269 # ring membership passed
201: ok 12270 # correct ring bond data
201: ok 12271 # correct ring bond data
201: ok 12272 # correct ring bond data
201: ok 12273 # correct ring bond data
201: ok 12274 # correct ring bond data
201: ok 12275 # correct ring bond data
201: ok 12276 # correct ring bond data
201: ok 12277 # correct ring bond data
201: ok 12278 # correct ring bond data
201: ok 12279 # correct ring bond data
201: ok 12280 # correct ring bond data
201: ok 12281 # correct ring bond data
201: ok 12282 # correct ring bond data
201: ok 12283 # correct ring bond data
201: ok 12284 # correct ring bond data
201: ok 12285 # correct ring bond data
201: ok 12286 # correct ring bond data
201: ok 12287 # correct ring bond data
201: ok 12288 # correct ring bond data
201: ok 12289 # correct ring bond data
201: ok 12290 # correct ring bond data
201: ok 12291 # correct ring bond data
201: ok 12292 # SSSR size matches reference
201: ok 12293 # correct SSSR count
201: ok 12294 # ring membership passed
201: ok 12295 # correct SSSR count
201: ok 12296 # ring membership passed
201: ok 12297 # correct SSSR count
201: ok 12298 # ring membership passed
201: ok 12299 # correct SSSR count
201: ok 12300 # ring membership passed
201: ok 12301 # correct SSSR count
201: ok 12302 # ring membership passed
201: ok 12303 # correct SSSR count
201: ok 12304 # ring membership passed
201: ok 12305 # correct SSSR count
201: ok 12306 # ring membership passed
201: ok 12307 # correct SSSR count
201: ok 12308 # ring membership passed
201: ok 12309 # correct SSSR count
201: ok 12310 # ring membership passed
201: ok 12311 # correct SSSR count
201: ok 12312 # ring membership passed
201: ok 12313 # correct SSSR count
201: ok 12314 # ring membership passed
201: ok 12315 # correct SSSR count
201: ok 12316 # ring membership passed
201: ok 12317 # correct SSSR count
201: ok 12318 # ring membership passed
201: ok 12319 # correct SSSR count
201: ok 12320 # ring membership passed
201: ok 12321 # correct SSSR count
201: ok 12322 # ring membership passed
201: ok 12323 # correct SSSR count
201: ok 12324 # ring membership passed
201: ok 12325 # correct SSSR count
201: ok 12326 # ring membership passed
201: ok 12327 # correct SSSR count
201: ok 12328 # ring membership passed
201: ok 12329 # correct SSSR count
201: ok 12330 # ring membership passed
201: ok 12331 # correct SSSR count
201: ok 12332 # ring membership passed
201: ok 12333 # correct SSSR count
201: ok 12334 # ring membership passed
201: ok 12335 # correct ring bond data
201: ok 12336 # correct ring bond data
201: ok 12337 # correct ring bond data
201: ok 12338 # correct ring bond data
201: ok 12339 # correct ring bond data
201: ok 12340 # correct ring bond data
201: ok 12341 # correct ring bond data
201: ok 12342 # correct ring bond data
201: ok 12343 # correct ring bond data
201: ok 12344 # correct ring bond data
201: ok 12345 # correct ring bond data
201: ok 12346 # correct ring bond data
201: ok 12347 # correct ring bond data
201: ok 12348 # correct ring bond data
201: ok 12349 # correct ring bond data
201: ok 12350 # correct ring bond data
201: ok 12351 # correct ring bond data
201: ok 12352 # correct ring bond data
201: ok 12353 # correct ring bond data
201: ok 12354 # correct ring bond data
201: ok 12355 # correct ring bond data
201: ok 12356 # correct ring bond data
201: ok 12357 # correct ring bond data
201: ok 12358 # correct ring bond data
201: ok 12359 # correct ring bond data
201: ok 12360 # correct ring bond data
201: ok 12361 # SSSR size matches reference
201: ok 12362 # correct SSSR count
201: ok 12363 # ring membership passed
201: ok 12364 # correct SSSR count
201: ok 12365 # ring membership passed
201: ok 12366 # correct SSSR count
201: ok 12367 # ring membership passed
201: ok 12368 # correct SSSR count
201: ok 12369 # ring membership passed
201: ok 12370 # correct SSSR count
201: ok 12371 # ring membership passed
201: ok 12372 # correct SSSR count
201: ok 12373 # ring membership passed
201: ok 12374 # correct SSSR count
201: ok 12375 # ring membership passed
201: ok 12376 # correct SSSR count
201: ok 12377 # ring membership passed
201: ok 12378 # correct SSSR count
201: ok 12379 # ring membership passed
201: ok 12380 # correct SSSR count
201: ok 12381 # ring membership passed
201: ok 12382 # correct SSSR count
201: ok 12383 # ring membership passed
201: ok 12384 # correct SSSR count
201: ok 12385 # ring membership passed
201: ok 12386 # correct SSSR count
201: ok 12387 # ring membership passed
201: ok 12388 # correct SSSR count
201: ok 12389 # ring membership passed
201: ok 12390 # correct SSSR count
201: ok 12391 # ring membership passed
201: ok 12392 # correct SSSR count
201: ok 12393 # ring membership passed
201: ok 12394 # correct SSSR count
201: ok 12395 # ring membership passed
201: ok 12396 # correct SSSR count
201: ok 12397 # ring membership passed
201: ok 12398 # correct SSSR count
201: ok 12399 # ring membership passed
201: ok 12400 # correct SSSR count
201: ok 12401 # ring membership passed
201: ok 12402 # correct SSSR count
201: ok 12403 # ring membership passed
201: ok 12404 # correct SSSR count
201: ok 12405 # ring membership passed
201: ok 12406 # correct SSSR count
201: ok 12407 # ring membership passed
201: ok 12408 # correct SSSR count
201: ok 12409 # ring membership passed
201: ok 12410 # correct SSSR count
201: ok 12411 # ring membership passed
201: ok 12412 # correct ring bond data
201: ok 12413 # correct ring bond data
201: ok 12414 # correct ring bond data
201: ok 12415 # correct ring bond data
201: ok 12416 # correct ring bond data
201: ok 12417 # correct ring bond data
201: ok 12418 # correct ring bond data
201: ok 12419 # correct ring bond data
201: ok 12420 # correct ring bond data
201: ok 12421 # correct ring bond data
201: ok 12422 # correct ring bond data
201: ok 12423 # correct ring bond data
201: ok 12424 # correct ring bond data
201: ok 12425 # correct ring bond data
201: ok 12426 # correct ring bond data
201: ok 12427 # correct ring bond data
201: ok 12428 # correct ring bond data
201: ok 12429 # correct ring bond data
201: ok 12430 # correct ring bond data
201: ok 12431 # correct ring bond data
201: ok 12432 # correct ring bond data
201: ok 12433 # correct ring bond data
201: ok 12434 # correct ring bond data
201: ok 12435 # correct ring bond data
201: ok 12436 # correct ring bond data
201: ok 12437 # correct ring bond data
201: ok 12438 # correct ring bond data
201: ok 12439 # correct ring bond data
201: ok 12440 # correct ring bond data
201: ok 12441 # SSSR size matches reference
201: ok 12442 # correct SSSR count
201: ok 12443 # ring membership passed
201: ok 12444 # correct SSSR count
201: ok 12445 # ring membership passed
201: ok 12446 # correct SSSR count
201: ok 12447 # ring membership passed
201: ok 12448 # correct SSSR count
201: ok 12449 # ring membership passed
201: ok 12450 # correct SSSR count
201: ok 12451 # ring membership passed
201: ok 12452 # correct SSSR count
201: ok 12453 # ring membership passed
201: ok 12454 # correct SSSR count
201: ok 12455 # ring membership passed
201: ok 12456 # correct SSSR count
201: ok 12457 # ring membership passed
201: ok 12458 # correct SSSR count
201: ok 12459 # ring membership passed
201: ok 12460 # correct SSSR count
201: ok 12461 # ring membership passed
201: ok 12462 # correct SSSR count
201: ok 12463 # ring membership passed
201: ok 12464 # correct SSSR count
201: ok 12465 # ring membership passed
201: ok 12466 # correct SSSR count
201: ok 12467 # ring membership passed
201: ok 12468 # correct SSSR count
201: ok 12469 # ring membership passed
201: ok 12470 # correct SSSR count
201: ok 12471 # ring membership passed
201: ok 12472 # correct SSSR count
201: ok 12473 # ring membership passed
201: ok 12474 # correct SSSR count
201: ok 12475 # ring membership passed
201: ok 12476 # correct SSSR count
201: ok 12477 # ring membership passed
201: ok 12478 # correct SSSR count
201: ok 12479 # ring membership passed
201: ok 12480 # correct SSSR count
201: ok 12481 # ring membership passed
201: ok 12482 # correct SSSR count
201: ok 12483 # ring membership passed
201: ok 12484 # correct SSSR count
201: ok 12485 # ring membership passed
201: ok 12486 # correct SSSR count
201: ok 12487 # ring membership passed
201: ok 12488 # correct SSSR count
201: ok 12489 # ring membership passed
201: ok 12490 # correct SSSR count
201: ok 12491 # ring membership passed
201: ok 12492 # correct SSSR count
201: ok 12493 # ring membership passed
201: ok 12494 # correct SSSR count
201: ok 12495 # ring membership passed
201: ok 12496 # correct SSSR count
201: ok 12497 # ring membership passed
201: ok 12498 # correct ring bond data
201: ok 12499 # correct ring bond data
201: ok 12500 # correct ring bond data
201: ok 12501 # correct ring bond data
201: ok 12502 # correct ring bond data
201: ok 12503 # correct ring bond data
201: ok 12504 # correct ring bond data
201: ok 12505 # correct ring bond data
201: ok 12506 # correct ring bond data
201: ok 12507 # correct ring bond data
201: ok 12508 # correct ring bond data
201: ok 12509 # correct ring bond data
201: ok 12510 # correct ring bond data
201: ok 12511 # correct ring bond data
201: ok 12512 # correct ring bond data
201: ok 12513 # correct ring bond data
201: ok 12514 # correct ring bond data
201: ok 12515 # correct ring bond data
201: ok 12516 # correct ring bond data
201: ok 12517 # correct ring bond data
201: ok 12518 # correct ring bond data
201: ok 12519 # correct ring bond data
201: ok 12520 # correct ring bond data
201: ok 12521 # correct ring bond data
201: ok 12522 # SSSR size matches reference
201: ok 12523 # correct SSSR count
201: ok 12524 # ring membership passed
201: ok 12525 # correct SSSR count
201: ok 12526 # ring membership passed
201: ok 12527 # correct SSSR count
201: ok 12528 # ring membership passed
201: ok 12529 # correct SSSR count
201: ok 12530 # ring membership passed
201: ok 12531 # correct SSSR count
201: ok 12532 # ring membership passed
201: ok 12533 # correct SSSR count
201: ok 12534 # ring membership passed
201: ok 12535 # correct SSSR count
201: ok 12536 # ring membership passed
201: ok 12537 # correct SSSR count
201: ok 12538 # ring membership passed
201: ok 12539 # correct SSSR count
201: ok 12540 # ring membership passed
201: ok 12541 # correct SSSR count
201: ok 12542 # ring membership passed
201: ok 12543 # correct SSSR count
201: ok 12544 # ring membership passed
201: ok 12545 # correct SSSR count
201: ok 12546 # ring membership passed
201: ok 12547 # correct SSSR count
201: ok 12548 # ring membership passed
201: ok 12549 # correct SSSR count
201: ok 12550 # ring membership passed
201: ok 12551 # correct SSSR count
201: ok 12552 # ring membership passed
201: ok 12553 # correct SSSR count
201: ok 12554 # ring membership passed
201: ok 12555 # correct SSSR count
201: ok 12556 # ring membership passed
201: ok 12557 # correct SSSR count
201: ok 12558 # ring membership passed
201: ok 12559 # correct SSSR count
201: ok 12560 # ring membership passed
201: ok 12561 # correct SSSR count
201: ok 12562 # ring membership passed
201: ok 12563 # correct SSSR count
201: ok 12564 # ring membership passed
201: ok 12565 # correct SSSR count
201: ok 12566 # ring membership passed
201: ok 12567 # correct SSSR count
201: ok 12568 # ring membership passed
201: ok 12569 # correct ring bond data
201: ok 12570 # correct ring bond data
201: ok 12571 # correct ring bond data
201: ok 12572 # correct ring bond data
201: ok 12573 # correct ring bond data
201: ok 12574 # correct ring bond data
201: ok 12575 # correct ring bond data
201: ok 12576 # correct ring bond data
201: ok 12577 # correct ring bond data
201: ok 12578 # correct ring bond data
201: ok 12579 # correct ring bond data
201: ok 12580 # correct ring bond data
201: ok 12581 # correct ring bond data
201: ok 12582 # correct ring bond data
201: ok 12583 # correct ring bond data
201: ok 12584 # SSSR size matches reference
201: ok 12585 # correct SSSR count
201: ok 12586 # ring membership passed
201: ok 12587 # correct SSSR count
201: ok 12588 # ring membership passed
201: ok 12589 # correct SSSR count
201: ok 12590 # ring membership passed
201: ok 12591 # correct SSSR count
201: ok 12592 # ring membership passed
201: ok 12593 # correct SSSR count
201: ok 12594 # ring membership passed
201: ok 12595 # correct SSSR count
201: ok 12596 # ring membership passed
201: ok 12597 # correct SSSR count
201: ok 12598 # ring membership passed
201: ok 12599 # correct SSSR count
201: ok 12600 # ring membership passed
201: ok 12601 # correct SSSR count
201: ok 12602 # ring membership passed
201: ok 12603 # correct SSSR count
201: ok 12604 # ring membership passed
201: ok 12605 # correct SSSR count
201: ok 12606 # ring membership passed
201: ok 12607 # correct SSSR count
201: ok 12608 # ring membership passed
201: ok 12609 # correct SSSR count
201: ok 12610 # ring membership passed
201: ok 12611 # correct SSSR count
201: ok 12612 # ring membership passed
201: ok 12613 # correct SSSR count
201: ok 12614 # ring membership passed
201: ok 12615 # correct ring bond data
201: ok 12616 # correct ring bond data
201: ok 12617 # correct ring bond data
201: ok 12618 # correct ring bond data
201: ok 12619 # correct ring bond data
201: ok 12620 # correct ring bond data
201: ok 12621 # correct ring bond data
201: ok 12622 # correct ring bond data
201: ok 12623 # correct ring bond data
201: ok 12624 # correct ring bond data
201: ok 12625 # correct ring bond data
201: ok 12626 # correct ring bond data
201: ok 12627 # correct ring bond data
201: ok 12628 # correct ring bond data
201: ok 12629 # correct ring bond data
201: ok 12630 # SSSR size matches reference
201: ok 12631 # correct SSSR count
201: ok 12632 # ring membership passed
201: ok 12633 # correct SSSR count
201: ok 12634 # ring membership passed
201: ok 12635 # correct SSSR count
201: ok 12636 # ring membership passed
201: ok 12637 # correct SSSR count
201: ok 12638 # ring membership passed
201: ok 12639 # correct SSSR count
201: ok 12640 # ring membership passed
201: ok 12641 # correct SSSR count
201: ok 12642 # ring membership passed
201: ok 12643 # correct SSSR count
201: ok 12644 # ring membership passed
201: ok 12645 # correct SSSR count
201: ok 12646 # ring membership passed
201: ok 12647 # correct SSSR count
201: ok 12648 # ring membership passed
201: ok 12649 # correct SSSR count
201: ok 12650 # ring membership passed
201: ok 12651 # correct SSSR count
201: ok 12652 # ring membership passed
201: ok 12653 # correct SSSR count
201: ok 12654 # ring membership passed
201: ok 12655 # correct SSSR count
201: ok 12656 # ring membership passed
201: ok 12657 # correct SSSR count
201: ok 12658 # ring membership passed
201: ok 12659 # correct SSSR count
201: ok 12660 # ring membership passed
201: ok 12661 # correct ring bond data
201: ok 12662 # correct ring bond data
201: ok 12663 # correct ring bond data
201: ok 12664 # correct ring bond data
201: ok 12665 # correct ring bond data
201: ok 12666 # correct ring bond data
201: ok 12667 # correct ring bond data
201: ok 12668 # correct ring bond data
201: ok 12669 # correct ring bond data
201: ok 12670 # correct ring bond data
201: ok 12671 # correct ring bond data
201: ok 12672 # correct ring bond data
201: ok 12673 # correct ring bond data
201: ok 12674 # correct ring bond data
201: ok 12675 # correct ring bond data
201: ok 12676 # correct ring bond data
201: ok 12677 # correct ring bond data
201: ok 12678 # correct ring bond data
201: ok 12679 # SSSR size matches reference
201: ok 12680 # correct SSSR count
201: ok 12681 # ring membership passed
201: ok 12682 # correct SSSR count
201: ok 12683 # ring membership passed
201: ok 12684 # correct SSSR count
201: ok 12685 # ring membership passed
201: ok 12686 # correct SSSR count
201: ok 12687 # ring membership passed
201: ok 12688 # correct SSSR count
201: ok 12689 # ring membership passed
201: ok 12690 # correct SSSR count
201: ok 12691 # ring membership passed
201: ok 12692 # correct SSSR count
201: ok 12693 # ring membership passed
201: ok 12694 # correct SSSR count
201: ok 12695 # ring membership passed
201: ok 12696 # correct SSSR count
201: ok 12697 # ring membership passed
201: ok 12698 # correct SSSR count
201: ok 12699 # ring membership passed
201: ok 12700 # correct SSSR count
201: ok 12701 # ring membership passed
201: ok 12702 # correct SSSR count
201: ok 12703 # ring membership passed
201: ok 12704 # correct SSSR count
201: ok 12705 # ring membership passed
201: ok 12706 # correct SSSR count
201: ok 12707 # ring membership passed
201: ok 12708 # correct SSSR count
201: ok 12709 # ring membership passed
201: ok 12710 # correct SSSR count
201: ok 12711 # ring membership passed
201: ok 12712 # correct SSSR count
201: ok 12713 # ring membership passed
201: ok 12714 # correct ring bond data
201: ok 12715 # correct ring bond data
201: ok 12716 # correct ring bond data
201: ok 12717 # correct ring bond data
201: ok 12718 # correct ring bond data
201: ok 12719 # correct ring bond data
201: ok 12720 # correct ring bond data
201: ok 12721 # correct ring bond data
201: ok 12722 # correct ring bond data
201: ok 12723 # correct ring bond data
201: ok 12724 # correct ring bond data
201: ok 12725 # correct ring bond data
201: ok 12726 # correct ring bond data
201: ok 12727 # correct ring bond data
201: ok 12728 # SSSR size matches reference
201: ok 12729 # correct SSSR count
201: ok 12730 # ring membership passed
201: ok 12731 # correct SSSR count
201: ok 12732 # ring membership passed
201: ok 12733 # correct SSSR count
201: ok 12734 # ring membership passed
201: ok 12735 # correct SSSR count
201: ok 12736 # ring membership passed
201: ok 12737 # correct SSSR count
201: ok 12738 # ring membership passed
201: ok 12739 # correct SSSR count
201: ok 12740 # ring membership passed
201: ok 12741 # correct SSSR count
201: ok 12742 # ring membership passed
201: ok 12743 # correct SSSR count
201: ok 12744 # ring membership passed
201: ok 12745 # correct SSSR count
201: ok 12746 # ring membership passed
201: ok 12747 # correct SSSR count
201: ok 12748 # ring membership passed
201: ok 12749 # correct SSSR count
201: ok 12750 # ring membership passed
201: ok 12751 # correct SSSR count
201: ok 12752 # ring membership passed
201: ok 12753 # correct SSSR count
201: ok 12754 # ring membership passed
201: ok 12755 # correct SSSR count
201: ok 12756 # ring membership passed
201: ok 12757 # correct ring bond data
201: ok 12758 # correct ring bond data
201: ok 12759 # correct ring bond data
201: ok 12760 # correct ring bond data
201: ok 12761 # correct ring bond data
201: ok 12762 # correct ring bond data
201: ok 12763 # correct ring bond data
201: ok 12764 # correct ring bond data
201: ok 12765 # SSSR size matches reference
201: ok 12766 # correct SSSR count
201: ok 12767 # ring membership passed
201: ok 12768 # correct SSSR count
201: ok 12769 # ring membership passed
201: ok 12770 # correct SSSR count
201: ok 12771 # ring membership passed
201: ok 12772 # correct SSSR count
201: ok 12773 # ring membership passed
201: ok 12774 # correct SSSR count
201: ok 12775 # ring membership passed
201: ok 12776 # correct SSSR count
201: ok 12777 # ring membership passed
201: ok 12778 # correct SSSR count
201: ok 12779 # ring membership passed
201: ok 12780 # correct SSSR count
201: ok 12781 # ring membership passed
201: ok 12782 # correct ring bond data
201: ok 12783 # correct ring bond data
201: ok 12784 # correct ring bond data
201: ok 12785 # correct ring bond data
201: ok 12786 # correct ring bond data
201: ok 12787 # correct ring bond data
201: ok 12788 # correct ring bond data
201: ok 12789 # correct ring bond data
201: ok 12790 # correct ring bond data
201: ok 12791 # correct ring bond data
201: ok 12792 # SSSR size matches reference
201: ok 12793 # correct SSSR count
201: ok 12794 # ring membership passed
201: ok 12795 # correct SSSR count
201: ok 12796 # ring membership passed
201: ok 12797 # correct SSSR count
201: ok 12798 # ring membership passed
201: ok 12799 # correct SSSR count
201: ok 12800 # ring membership passed
201: ok 12801 # correct SSSR count
201: ok 12802 # ring membership passed
201: ok 12803 # correct SSSR count
201: ok 12804 # ring membership passed
201: ok 12805 # correct SSSR count
201: ok 12806 # ring membership passed
201: ok 12807 # correct SSSR count
201: ok 12808 # ring membership passed
201: ok 12809 # correct SSSR count
201: ok 12810 # ring membership passed
201: ok 12811 # correct SSSR count
201: ok 12812 # ring membership passed
201: ok 12813 # correct ring bond data
201: ok 12814 # correct ring bond data
201: ok 12815 # correct ring bond data
201: ok 12816 # correct ring bond data
201: ok 12817 # correct ring bond data
201: ok 12818 # correct ring bond data
201: ok 12819 # correct ring bond data
201: ok 12820 # correct ring bond data
201: ok 12821 # correct ring bond data
201: ok 12822 # correct ring bond data
201: ok 12823 # correct ring bond data
201: ok 12824 # correct ring bond data
201: ok 12825 # correct ring bond data
201: ok 12826 # SSSR size matches reference
201: ok 12827 # correct SSSR count
201: ok 12828 # ring membership passed
201: ok 12829 # correct SSSR count
201: ok 12830 # ring membership passed
201: ok 12831 # correct SSSR count
201: ok 12832 # ring membership passed
201: ok 12833 # correct SSSR count
201: ok 12834 # ring membership passed
201: ok 12835 # correct SSSR count
201: ok 12836 # ring membership passed
201: ok 12837 # correct SSSR count
201: ok 12838 # ring membership passed
201: ok 12839 # correct SSSR count
201: ok 12840 # ring membership passed
201: ok 12841 # correct SSSR count
201: ok 12842 # ring membership passed
201: ok 12843 # correct SSSR count
201: ok 12844 # ring membership passed
201: ok 12845 # correct SSSR count
201: ok 12846 # ring membership passed
201: ok 12847 # correct SSSR count
201: ok 12848 # ring membership passed
201: ok 12849 # correct SSSR count
201: ok 12850 # ring membership passed
201: ok 12851 # correct SSSR count
201: ok 12852 # ring membership passed
201: ok 12853 # correct ring bond data
201: ok 12854 # correct ring bond data
201: ok 12855 # correct ring bond data
201: ok 12856 # correct ring bond data
201: ok 12857 # correct ring bond data
201: ok 12858 # correct ring bond data
201: ok 12859 # correct ring bond data
201: ok 12860 # correct ring bond data
201: ok 12861 # correct ring bond data
201: ok 12862 # SSSR size matches reference
201: ok 12863 # correct SSSR count
201: ok 12864 # ring membership passed
201: ok 12865 # correct SSSR count
201: ok 12866 # ring membership passed
201: ok 12867 # correct SSSR count
201: ok 12868 # ring membership passed
201: ok 12869 # correct SSSR count
201: ok 12870 # ring membership passed
201: ok 12871 # correct SSSR count
201: ok 12872 # ring membership passed
201: ok 12873 # correct SSSR count
201: ok 12874 # ring membership passed
201: ok 12875 # correct SSSR count
201: ok 12876 # ring membership passed
201: ok 12877 # correct SSSR count
201: ok 12878 # ring membership passed
201: ok 12879 # correct SSSR count
201: ok 12880 # ring membership passed
201: ok 12881 # correct ring bond data
201: ok 12882 # correct ring bond data
201: ok 12883 # correct ring bond data
201: ok 12884 # correct ring bond data
201: ok 12885 # correct ring bond data
201: ok 12886 # correct ring bond data
201: ok 12887 # correct ring bond data
201: ok 12888 # SSSR size matches reference
201: ok 12889 # correct SSSR count
201: ok 12890 # ring membership passed
201: ok 12891 # correct SSSR count
201: ok 12892 # ring membership passed
201: ok 12893 # correct SSSR count
201: ok 12894 # ring membership passed
201: ok 12895 # correct SSSR count
201: ok 12896 # ring membership passed
201: ok 12897 # correct SSSR count
201: ok 12898 # ring membership passed
201: ok 12899 # correct SSSR count
201: ok 12900 # ring membership passed
201: ok 12901 # correct SSSR count
201: ok 12902 # ring membership passed
201: ok 12903 # correct SSSR count
201: ok 12904 # ring membership passed
201: ok 12905 # correct ring bond data
201: ok 12906 # correct ring bond data
201: ok 12907 # correct ring bond data
201: ok 12908 # correct ring bond data
201: ok 12909 # correct ring bond data
201: ok 12910 # correct ring bond data
201: ok 12911 # correct ring bond data
201: ok 12912 # correct ring bond data
201: ok 12913 # correct ring bond data
201: ok 12914 # SSSR size matches reference
201: ok 12915 # correct SSSR count
201: ok 12916 # ring membership passed
201: ok 12917 # correct SSSR count
201: ok 12918 # ring membership passed
201: ok 12919 # correct SSSR count
201: ok 12920 # ring membership passed
201: ok 12921 # correct SSSR count
201: ok 12922 # ring membership passed
201: ok 12923 # correct SSSR count
201: ok 12924 # ring membership passed
201: ok 12925 # correct SSSR count
201: ok 12926 # ring membership passed
201: ok 12927 # correct SSSR count
201: ok 12928 # ring membership passed
201: ok 12929 # correct SSSR count
201: ok 12930 # ring membership passed
201: ok 12931 # correct SSSR count
201: ok 12932 # ring membership passed
201: ok 12933 # correct SSSR count
201: ok 12934 # ring membership passed
201: ok 12935 # correct ring bond data
201: ok 12936 # correct ring bond data
201: ok 12937 # correct ring bond data
201: ok 12938 # correct ring bond data
201: ok 12939 # correct ring bond data
201: ok 12940 # correct ring bond data
201: ok 12941 # correct ring bond data
201: ok 12942 # correct ring bond data
201: ok 12943 # correct ring bond data
201: ok 12944 # correct ring bond data
201: ok 12945 # correct ring bond data
201: ok 12946 # correct ring bond data
201: ok 12947 # SSSR size matches reference
201: ok 12948 # correct SSSR count
201: ok 12949 # ring membership passed
201: ok 12950 # correct SSSR count
201: ok 12951 # ring membership passed
201: ok 12952 # correct SSSR count
201: ok 12953 # ring membership passed
201: ok 12954 # correct SSSR count
201: ok 12955 # ring membership passed
201: ok 12956 # correct SSSR count
201: ok 12957 # ring membership passed
201: ok 12958 # correct SSSR count
201: ok 12959 # ring membership passed
201: ok 12960 # correct SSSR count
201: ok 12961 # ring membership passed
201: ok 12962 # correct SSSR count
201: ok 12963 # ring membership passed
201: ok 12964 # correct SSSR count
201: ok 12965 # ring membership passed
201: ok 12966 # correct SSSR count
201: ok 12967 # ring membership passed
201: ok 12968 # correct SSSR count
201: ok 12969 # ring membership passed
201: ok 12970 # correct SSSR count
201: ok 12971 # ring membership passed
201: ok 12972 # correct SSSR count
201: ok 12973 # ring membership passed
201: ok 12974 # correct ring bond data
201: ok 12975 # correct ring bond data
201: ok 12976 # correct ring bond data
201: ok 12977 # correct ring bond data
201: ok 12978 # correct ring bond data
201: ok 12979 # correct ring bond data
201: ok 12980 # correct ring bond data
201: ok 12981 # correct ring bond data
201: ok 12982 # correct ring bond data
201: ok 12983 # correct ring bond data
201: ok 12984 # correct ring bond data
201: ok 12985 # correct ring bond data
201: ok 12986 # correct ring bond data
201: ok 12987 # correct ring bond data
201: ok 12988 # correct ring bond data
201: ok 12989 # correct ring bond data
201: ok 12990 # correct ring bond data
201: ok 12991 # correct ring bond data
201: ok 12992 # correct ring bond data
201: ok 12993 # correct ring bond data
201: ok 12994 # correct ring bond data
201: ok 12995 # correct ring bond data
201: ok 12996 # correct ring bond data
201: ok 12997 # SSSR size matches reference
201: ok 12998 # correct SSSR count
201: ok 12999 # ring membership passed
201: ok 13000 # correct SSSR count
201: ok 13001 # ring membership passed
201: ok 13002 # correct SSSR count
201: ok 13003 # ring membership passed
201: ok 13004 # correct SSSR count
201: ok 13005 # ring membership passed
201: ok 13006 # correct SSSR count
201: ok 13007 # ring membership passed
201: ok 13008 # correct SSSR count
201: ok 13009 # ring membership passed
201: ok 13010 # correct SSSR count
201: ok 13011 # ring membership passed
201: ok 13012 # correct SSSR count
201: ok 13013 # ring membership passed
201: ok 13014 # correct SSSR count
201: ok 13015 # ring membership passed
201: ok 13016 # correct SSSR count
201: ok 13017 # ring membership passed
201: ok 13018 # correct SSSR count
201: ok 13019 # ring membership passed
201: ok 13020 # correct SSSR count
201: ok 13021 # ring membership passed
201: ok 13022 # correct SSSR count
201: ok 13023 # ring membership passed
201: ok 13024 # correct SSSR count
201: ok 13025 # ring membership passed
201: ok 13026 # correct SSSR count
201: ok 13027 # ring membership passed
201: ok 13028 # correct SSSR count
201: ok 13029 # ring membership passed
201: ok 13030 # correct SSSR count
201: ok 13031 # ring membership passed
201: ok 13032 # correct SSSR count
201: ok 13033 # ring membership passed
201: ok 13034 # correct SSSR count
201: ok 13035 # ring membership passed
201: ok 13036 # correct SSSR count
201: ok 13037 # ring membership passed
201: ok 13038 # correct SSSR count
201: ok 13039 # ring membership passed
201: ok 13040 # correct ring bond data
201: ok 13041 # correct ring bond data
201: ok 13042 # correct ring bond data
201: ok 13043 # correct ring bond data
201: ok 13044 # correct ring bond data
201: ok 13045 # correct ring bond data
201: ok 13046 # correct ring bond data
201: ok 13047 # correct ring bond data
201: ok 13048 # correct ring bond data
201: ok 13049 # correct ring bond data
201: ok 13050 # correct ring bond data
201: ok 13051 # correct ring bond data
201: ok 13052 # SSSR size matches reference
201: ok 13053 # correct SSSR count
201: ok 13054 # ring membership passed
201: ok 13055 # correct SSSR count
201: ok 13056 # ring membership passed
201: ok 13057 # correct SSSR count
201: ok 13058 # ring membership passed
201: ok 13059 # correct SSSR count
201: ok 13060 # ring membership passed
201: ok 13061 # correct SSSR count
201: ok 13062 # ring membership passed
201: ok 13063 # correct SSSR count
201: ok 13064 # ring membership passed
201: ok 13065 # correct SSSR count
201: ok 13066 # ring membership passed
201: ok 13067 # correct SSSR count
201: ok 13068 # ring membership passed
201: ok 13069 # correct SSSR count
201: ok 13070 # ring membership passed
201: ok 13071 # correct SSSR count
201: ok 13072 # ring membership passed
201: ok 13073 # correct SSSR count
201: ok 13074 # ring membership passed
201: ok 13075 # correct SSSR count
201: ok 13076 # ring membership passed
201: ok 13077 # correct ring bond data
201: ok 13078 # correct ring bond data
201: ok 13079 # correct ring bond data
201: ok 13080 # correct ring bond data
201: ok 13081 # correct ring bond data
201: ok 13082 # correct ring bond data
201: ok 13083 # correct ring bond data
201: ok 13084 # correct ring bond data
201: ok 13085 # correct ring bond data
201: ok 13086 # correct ring bond data
201: ok 13087 # correct ring bond data
201: ok 13088 # correct ring bond data
201: ok 13089 # correct ring bond data
201: ok 13090 # correct ring bond data
201: ok 13091 # correct ring bond data
201: ok 13092 # correct ring bond data
201: ok 13093 # correct ring bond data
201: ok 13094 # correct ring bond data
201: ok 13095 # correct ring bond data
201: ok 13096 # correct ring bond data
201: ok 13097 # correct ring bond data
201: ok 13098 # correct ring bond data
201: ok 13099 # SSSR size matches reference
201: ok 13100 # correct SSSR count
201: ok 13101 # ring membership passed
201: ok 13102 # correct SSSR count
201: ok 13103 # ring membership passed
201: ok 13104 # correct SSSR count
201: ok 13105 # ring membership passed
201: ok 13106 # correct SSSR count
201: ok 13107 # ring membership passed
201: ok 13108 # correct SSSR count
201: ok 13109 # ring membership passed
201: ok 13110 # correct SSSR count
201: ok 13111 # ring membership passed
201: ok 13112 # correct SSSR count
201: ok 13113 # ring membership passed
201: ok 13114 # correct SSSR count
201: ok 13115 # ring membership passed
201: ok 13116 # correct SSSR count
201: ok 13117 # ring membership passed
201: ok 13118 # correct SSSR count
201: ok 13119 # ring membership passed
201: ok 13120 # correct SSSR count
201: ok 13121 # ring membership passed
201: ok 13122 # correct SSSR count
201: ok 13123 # ring membership passed
201: ok 13124 # correct SSSR count
201: ok 13125 # ring membership passed
201: ok 13126 # correct SSSR count
201: ok 13127 # ring membership passed
201: ok 13128 # correct SSSR count
201: ok 13129 # ring membership passed
201: ok 13130 # correct SSSR count
201: ok 13131 # ring membership passed
201: ok 13132 # correct SSSR count
201: ok 13133 # ring membership passed
201: ok 13134 # correct SSSR count
201: ok 13135 # ring membership passed
201: ok 13136 # correct SSSR count
201: ok 13137 # ring membership passed
201: ok 13138 # correct ring bond data
201: ok 13139 # correct ring bond data
201: ok 13140 # correct ring bond data
201: ok 13141 # correct ring bond data
201: ok 13142 # correct ring bond data
201: ok 13143 # correct ring bond data
201: ok 13144 # correct ring bond data
201: ok 13145 # correct ring bond data
201: ok 13146 # correct ring bond data
201: ok 13147 # correct ring bond data
201: ok 13148 # SSSR size matches reference
201: ok 13149 # correct SSSR count
201: ok 13150 # ring membership passed
201: ok 13151 # correct SSSR count
201: ok 13152 # ring membership passed
201: ok 13153 # correct SSSR count
201: ok 13154 # ring membership passed
201: ok 13155 # correct SSSR count
201: ok 13156 # ring membership passed
201: ok 13157 # correct SSSR count
201: ok 13158 # ring membership passed
201: ok 13159 # correct SSSR count
201: ok 13160 # ring membership passed
201: ok 13161 # correct SSSR count
201: ok 13162 # ring membership passed
201: ok 13163 # correct SSSR count
201: ok 13164 # ring membership passed
201: ok 13165 # correct SSSR count
201: ok 13166 # ring membership passed
201: ok 13167 # correct SSSR count
201: ok 13168 # ring membership passed
201: ok 13169 # correct ring bond data
201: ok 13170 # correct ring bond data
201: ok 13171 # correct ring bond data
201: ok 13172 # correct ring bond data
201: ok 13173 # correct ring bond data
201: ok 13174 # correct ring bond data
201: ok 13175 # correct ring bond data
201: ok 13176 # correct ring bond data
201: ok 13177 # correct ring bond data
201: ok 13178 # correct ring bond data
201: ok 13179 # correct ring bond data
201: ok 13180 # correct ring bond data
201: ok 13181 # correct ring bond data
201: ok 13182 # correct ring bond data
201: ok 13183 # correct ring bond data
201: ok 13184 # correct ring bond data
201: ok 13185 # correct ring bond data
201: ok 13186 # correct ring bond data
201: ok 13187 # correct ring bond data
201: ok 13188 # correct ring bond data
201: ok 13189 # correct ring bond data
201: ok 13190 # correct ring bond data
201: ok 13191 # correct ring bond data
201: ok 13192 # correct ring bond data
201: ok 13193 # correct ring bond data
201: ok 13194 # correct ring bond data
201: ok 13195 # correct ring bond data
201: ok 13196 # correct ring bond data
201: ok 13197 # correct ring bond data
201: ok 13198 # correct ring bond data
201: ok 13199 # correct ring bond data
201: ok 13200 # correct ring bond data
201: ok 13201 # correct ring bond data
201: ok 13202 # correct ring bond data
201: ok 13203 # correct ring bond data
201: ok 13204 # correct ring bond data
201: ok 13205 # correct ring bond data
201: ok 13206 # correct ring bond data
201: ok 13207 # correct ring bond data
201: ok 13208 # correct ring bond data
201: ok 13209 # correct ring bond data
201: ok 13210 # correct ring bond data
201: ok 13211 # correct ring bond data
201: ok 13212 # correct ring bond data
201: ok 13213 # correct ring bond data
201: ok 13214 # correct ring bond data
201: ok 13215 # correct ring bond data
201: ok 13216 # correct ring bond data
201: ok 13217 # correct ring bond data
201: ok 13218 # correct ring bond data
201: ok 13219 # correct ring bond data
201: ok 13220 # correct ring bond data
201: ok 13221 # correct ring bond data
201: ok 13222 # correct ring bond data
201: ok 13223 # correct ring bond data
201: ok 13224 # correct ring bond data
201: ok 13225 # SSSR size matches reference
201: ok 13226 # correct SSSR count
201: ok 13227 # ring membership passed
201: ok 13228 # correct SSSR count
201: ok 13229 # ring membership passed
201: ok 13230 # correct SSSR count
201: ok 13231 # ring membership passed
201: ok 13232 # correct SSSR count
201: ok 13233 # ring membership passed
201: ok 13234 # correct SSSR count
201: ok 13235 # ring membership passed
201: ok 13236 # correct SSSR count
201: ok 13237 # ring membership passed
201: ok 13238 # correct SSSR count
201: ok 13239 # ring membership passed
201: ok 13240 # correct SSSR count
201: ok 13241 # ring membership passed
201: ok 13242 # correct SSSR count
201: ok 13243 # ring membership passed
201: ok 13244 # correct SSSR count
201: ok 13245 # ring membership passed
201: ok 13246 # correct SSSR count
201: ok 13247 # ring membership passed
201: ok 13248 # correct SSSR count
201: ok 13249 # ring membership passed
201: ok 13250 # correct SSSR count
201: ok 13251 # ring membership passed
201: ok 13252 # correct SSSR count
201: ok 13253 # ring membership passed
201: ok 13254 # correct SSSR count
201: ok 13255 # ring membership passed
201: ok 13256 # correct SSSR count
201: ok 13257 # ring membership passed
201: ok 13258 # correct SSSR count
201: ok 13259 # ring membership passed
201: ok 13260 # correct SSSR count
201: ok 13261 # ring membership passed
201: ok 13262 # correct SSSR count
201: ok 13263 # ring membership passed
201: ok 13264 # correct SSSR count
201: ok 13265 # ring membership passed
201: ok 13266 # correct SSSR count
201: ok 13267 # ring membership passed
201: ok 13268 # correct SSSR count
201: ok 13269 # ring membership passed
201: ok 13270 # correct SSSR count
201: ok 13271 # ring membership passed
201: ok 13272 # correct SSSR count
201: ok 13273 # ring membership passed
201: ok 13274 # correct SSSR count
201: ok 13275 # ring membership passed
201: ok 13276 # correct SSSR count
201: ok 13277 # ring membership passed
201: ok 13278 # correct SSSR count
201: ok 13279 # ring membership passed
201: ok 13280 # correct SSSR count
201: ok 13281 # ring membership passed
201: ok 13282 # correct SSSR count
201: ok 13283 # ring membership passed
201: ok 13284 # correct SSSR count
201: ok 13285 # ring membership passed
201: ok 13286 # correct SSSR count
201: ok 13287 # ring membership passed
201: ok 13288 # correct SSSR count
201: ok 13289 # ring membership passed
201: ok 13290 # correct SSSR count
201: ok 13291 # ring membership passed
201: ok 13292 # correct SSSR count
201: ok 13293 # ring membership passed
201: ok 13294 # correct SSSR count
201: ok 13295 # ring membership passed
201: ok 13296 # correct SSSR count
201: ok 13297 # ring membership passed
201: ok 13298 # correct SSSR count
201: ok 13299 # ring membership passed
201: ok 13300 # correct SSSR count
201: ok 13301 # ring membership passed
201: ok 13302 # correct SSSR count
201: ok 13303 # ring membership passed
201: ok 13304 # correct SSSR count
201: ok 13305 # ring membership passed
201: ok 13306 # correct SSSR count
201: ok 13307 # ring membership passed
201: ok 13308 # correct SSSR count
201: ok 13309 # ring membership passed
201: ok 13310 # correct SSSR count
201: ok 13311 # ring membership passed
201: ok 13312 # correct SSSR count
201: ok 13313 # ring membership passed
201: ok 13314 # correct SSSR count
201: ok 13315 # ring membership passed
201: ok 13316 # correct SSSR count
201: ok 13317 # ring membership passed
201: ok 13318 # correct SSSR count
201: ok 13319 # ring membership passed
201: ok 13320 # correct SSSR count
201: ok 13321 # ring membership passed
201: ok 13322 # correct SSSR count
201: ok 13323 # ring membership passed
201: ok 13324 # correct SSSR count
201: ok 13325 # ring membership passed
201: ok 13326 # correct SSSR count
201: ok 13327 # ring membership passed
201: ok 13328 # correct ring bond data
201: ok 13329 # correct ring bond data
201: ok 13330 # correct ring bond data
201: ok 13331 # correct ring bond data
201: ok 13332 # correct ring bond data
201: ok 13333 # correct ring bond data
201: ok 13334 # correct ring bond data
201: ok 13335 # correct ring bond data
201: ok 13336 # correct ring bond data
201: ok 13337 # correct ring bond data
201: ok 13338 # SSSR size matches reference
201: ok 13339 # correct SSSR count
201: ok 13340 # ring membership passed
201: ok 13341 # correct SSSR count
201: ok 13342 # ring membership passed
201: ok 13343 # correct SSSR count
201: ok 13344 # ring membership passed
201: ok 13345 # correct SSSR count
201: ok 13346 # ring membership passed
201: ok 13347 # correct SSSR count
201: ok 13348 # ring membership passed
201: ok 13349 # correct SSSR count
201: ok 13350 # ring membership passed
201: ok 13351 # correct SSSR count
201: ok 13352 # ring membership passed
201: ok 13353 # correct SSSR count
201: ok 13354 # ring membership passed
201: ok 13355 # correct SSSR count
201: ok 13356 # ring membership passed
201: ok 13357 # correct SSSR count
201: ok 13358 # ring membership passed
201: ok 13359 # correct ring bond data
201: ok 13360 # correct ring bond data
201: ok 13361 # correct ring bond data
201: ok 13362 # correct ring bond data
201: ok 13363 # correct ring bond data
201: ok 13364 # correct ring bond data
201: ok 13365 # correct ring bond data
201: ok 13366 # correct ring bond data
201: ok 13367 # correct ring bond data
201: ok 13368 # correct ring bond data
201: ok 13369 # correct ring bond data
201: ok 13370 # correct ring bond data
201: ok 13371 # correct ring bond data
201: ok 13372 # correct ring bond data
201: ok 13373 # correct ring bond data
201: ok 13374 # correct ring bond data
201: ok 13375 # correct ring bond data
201: ok 13376 # correct ring bond data
201: ok 13377 # correct ring bond data
201: ok 13378 # correct ring bond data
201: ok 13379 # correct ring bond data
201: ok 13380 # correct ring bond data
201: ok 13381 # correct ring bond data
201: ok 13382 # correct ring bond data
201: ok 13383 # correct ring bond data
201: ok 13384 # correct ring bond data
201: ok 13385 # correct ring bond data
201: ok 13386 # correct ring bond data
201: ok 13387 # correct ring bond data
201: ok 13388 # correct ring bond data
201: ok 13389 # correct ring bond data
201: ok 13390 # correct ring bond data
201: ok 13391 # correct ring bond data
201: ok 13392 # correct ring bond data
201: ok 13393 # correct ring bond data
201: ok 13394 # correct ring bond data
201: ok 13395 # correct ring bond data
201: ok 13396 # correct ring bond data
201: ok 13397 # correct ring bond data
201: ok 13398 # correct ring bond data
201: ok 13399 # correct ring bond data
201: ok 13400 # correct ring bond data
201: ok 13401 # correct ring bond data
201: ok 13402 # correct ring bond data
201: ok 13403 # SSSR size matches reference
201: ok 13404 # correct SSSR count
201: ok 13405 # ring membership passed
201: ok 13406 # correct SSSR count
201: ok 13407 # ring membership passed
201: ok 13408 # correct SSSR count
201: ok 13409 # ring membership passed
201: ok 13410 # correct SSSR count
201: ok 13411 # ring membership passed
201: ok 13412 # correct SSSR count
201: ok 13413 # ring membership passed
201: ok 13414 # correct SSSR count
201: ok 13415 # ring membership passed
201: ok 13416 # correct SSSR count
201: ok 13417 # ring membership passed
201: ok 13418 # correct SSSR count
201: ok 13419 # ring membership passed
201: ok 13420 # correct SSSR count
201: ok 13421 # ring membership passed
201: ok 13422 # correct SSSR count
201: ok 13423 # ring membership passed
201: ok 13424 # correct SSSR count
201: ok 13425 # ring membership passed
201: ok 13426 # correct SSSR count
201: ok 13427 # ring membership passed
201: ok 13428 # correct SSSR count
201: ok 13429 # ring membership passed
201: ok 13430 # correct SSSR count
201: ok 13431 # ring membership passed
201: ok 13432 # correct SSSR count
201: ok 13433 # ring membership passed
201: ok 13434 # correct SSSR count
201: ok 13435 # ring membership passed
201: ok 13436 # correct SSSR count
201: ok 13437 # ring membership passed
201: ok 13438 # correct SSSR count
201: ok 13439 # ring membership passed
201: ok 13440 # correct SSSR count
201: ok 13441 # ring membership passed
201: ok 13442 # correct SSSR count
201: ok 13443 # ring membership passed
201: ok 13444 # correct SSSR count
201: ok 13445 # ring membership passed
201: ok 13446 # correct SSSR count
201: ok 13447 # ring membership passed
201: ok 13448 # correct SSSR count
201: ok 13449 # ring membership passed
201: ok 13450 # correct SSSR count
201: ok 13451 # ring membership passed
201: ok 13452 # correct SSSR count
201: ok 13453 # ring membership passed
201: ok 13454 # correct SSSR count
201: ok 13455 # ring membership passed
201: ok 13456 # correct SSSR count
201: ok 13457 # ring membership passed
201: ok 13458 # correct SSSR count
201: ok 13459 # ring membership passed
201: ok 13460 # correct SSSR count
201: ok 13461 # ring membership passed
201: ok 13462 # correct SSSR count
201: ok 13463 # ring membership passed
201: ok 13464 # correct SSSR count
201: ok 13465 # ring membership passed
201: ok 13466 # correct SSSR count
201: ok 13467 # ring membership passed
201: ok 13468 # correct SSSR count
201: ok 13469 # ring membership passed
201: ok 13470 # correct SSSR count
201: ok 13471 # ring membership passed
201: ok 13472 # correct SSSR count
201: ok 13473 # ring membership passed
201: ok 13474 # correct SSSR count
201: ok 13475 # ring membership passed
201: ok 13476 # correct SSSR count
201: ok 13477 # ring membership passed
201: ok 13478 # correct SSSR count
201: ok 13479 # ring membership passed
201: ok 13480 # correct SSSR count
201: ok 13481 # ring membership passed
201: ok 13482 # correct SSSR count
201: ok 13483 # ring membership passed
201: ok 13484 # correct SSSR count
201: ok 13485 # ring membership passed
201: ok 13486 # correct ring bond data
201: ok 13487 # correct ring bond data
201: ok 13488 # correct ring bond data
201: ok 13489 # correct ring bond data
201: ok 13490 # correct ring bond data
201: ok 13491 # correct ring bond data
201: ok 13492 # correct ring bond data
201: ok 13493 # correct ring bond data
201: ok 13494 # correct ring bond data
201: ok 13495 # correct ring bond data
201: ok 13496 # correct ring bond data
201: ok 13497 # correct ring bond data
201: ok 13498 # correct ring bond data
201: ok 13499 # correct ring bond data
201: ok 13500 # correct ring bond data
201: ok 13501 # correct ring bond data
201: ok 13502 # correct ring bond data
201: ok 13503 # correct ring bond data
201: ok 13504 # correct ring bond data
201: ok 13505 # correct ring bond data
201: ok 13506 # correct ring bond data
201: ok 13507 # correct ring bond data
201: ok 13508 # correct ring bond data
201: ok 13509 # correct ring bond data
201: ok 13510 # correct ring bond data
201: ok 13511 # correct ring bond data
201: ok 13512 # correct ring bond data
201: ok 13513 # correct ring bond data
201: ok 13514 # correct ring bond data
201: ok 13515 # correct ring bond data
201: ok 13516 # correct ring bond data
201: ok 13517 # correct ring bond data
201: ok 13518 # correct ring bond data
201: ok 13519 # correct ring bond data
201: ok 13520 # correct ring bond data
201: ok 13521 # correct ring bond data
201: ok 13522 # correct ring bond data
201: ok 13523 # correct ring bond data
201: ok 13524 # SSSR size matches reference
201: ok 13525 # correct SSSR count
201: ok 13526 # ring membership passed
201: ok 13527 # correct SSSR count
201: ok 13528 # ring membership passed
201: ok 13529 # correct SSSR count
201: ok 13530 # ring membership passed
201: ok 13531 # correct SSSR count
201: ok 13532 # ring membership passed
201: ok 13533 # correct SSSR count
201: ok 13534 # ring membership passed
201: ok 13535 # correct SSSR count
201: ok 13536 # ring membership passed
201: ok 13537 # correct SSSR count
201: ok 13538 # ring membership passed
201: ok 13539 # correct SSSR count
201: ok 13540 # ring membership passed
201: ok 13541 # correct SSSR count
201: ok 13542 # ring membership passed
201: ok 13543 # correct SSSR count
201: ok 13544 # ring membership passed
201: ok 13545 # correct SSSR count
201: ok 13546 # ring membership passed
201: ok 13547 # correct SSSR count
201: ok 13548 # ring membership passed
201: ok 13549 # correct SSSR count
201: ok 13550 # ring membership passed
201: ok 13551 # correct SSSR count
201: ok 13552 # ring membership passed
201: ok 13553 # correct SSSR count
201: ok 13554 # ring membership passed
201: ok 13555 # correct SSSR count
201: ok 13556 # ring membership passed
201: ok 13557 # correct SSSR count
201: ok 13558 # ring membership passed
201: ok 13559 # correct SSSR count
201: ok 13560 # ring membership passed
201: ok 13561 # correct SSSR count
201: ok 13562 # ring membership passed
201: ok 13563 # correct SSSR count
201: ok 13564 # ring membership passed
201: ok 13565 # correct SSSR count
201: ok 13566 # ring membership passed
201: ok 13567 # correct SSSR count
201: ok 13568 # ring membership passed
201: ok 13569 # correct SSSR count
201: ok 13570 # ring membership passed
201: ok 13571 # correct SSSR count
201: ok 13572 # ring membership passed
201: ok 13573 # correct SSSR count
201: ok 13574 # ring membership passed
201: ok 13575 # correct SSSR count
201: ok 13576 # ring membership passed
201: ok 13577 # correct SSSR count
201: ok 13578 # ring membership passed
201: ok 13579 # correct SSSR count
201: ok 13580 # ring membership passed
201: ok 13581 # correct SSSR count
201: ok 13582 # ring membership passed
201: ok 13583 # correct SSSR count
201: ok 13584 # ring membership passed
201: ok 13585 # correct SSSR count
201: ok 13586 # ring membership passed
201: ok 13587 # correct SSSR count
201: ok 13588 # ring membership passed
201: ok 13589 # correct SSSR count
201: ok 13590 # ring membership passed
201: ok 13591 # correct SSSR count
201: ok 13592 # ring membership passed
201: ok 13593 # correct SSSR count
201: ok 13594 # ring membership passed
201: ok 13595 # correct SSSR count
201: ok 13596 # ring membership passed
201: ok 13597 # correct ring bond data
201: ok 13598 # correct ring bond data
201: ok 13599 # correct ring bond data
201: ok 13600 # correct ring bond data
201: ok 13601 # correct ring bond data
201: ok 13602 # correct ring bond data
201: ok 13603 # correct ring bond data
201: ok 13604 # correct ring bond data
201: ok 13605 # correct ring bond data
201: ok 13606 # correct ring bond data
201: ok 13607 # correct ring bond data
201: ok 13608 # correct ring bond data
201: ok 13609 # correct ring bond data
201: ok 13610 # correct ring bond data
201: ok 13611 # correct ring bond data
201: ok 13612 # correct ring bond data
201: ok 13613 # correct ring bond data
201: ok 13614 # correct ring bond data
201: ok 13615 # correct ring bond data
201: ok 13616 # correct ring bond data
201: ok 13617 # correct ring bond data
201: ok 13618 # correct ring bond data
201: ok 13619 # correct ring bond data
201: ok 13620 # correct ring bond data
201: ok 13621 # correct ring bond data
201: ok 13622 # correct ring bond data
201: ok 13623 # correct ring bond data
201: ok 13624 # correct ring bond data
201: ok 13625 # correct ring bond data
201: ok 13626 # correct ring bond data
201: ok 13627 # correct ring bond data
201: ok 13628 # correct ring bond data
201: ok 13629 # correct ring bond data
201: ok 13630 # correct ring bond data
201: ok 13631 # correct ring bond data
201: ok 13632 # correct ring bond data
201: ok 13633 # correct ring bond data
201: ok 13634 # correct ring bond data
201: ok 13635 # correct ring bond data
201: ok 13636 # correct ring bond data
201: ok 13637 # correct ring bond data
201: ok 13638 # correct ring bond data
201: ok 13639 # correct ring bond data
201: ok 13640 # correct ring bond data
201: ok 13641 # SSSR size matches reference
201: ok 13642 # correct SSSR count
201: ok 13643 # ring membership passed
201: ok 13644 # correct SSSR count
201: ok 13645 # ring membership passed
201: ok 13646 # correct SSSR count
201: ok 13647 # ring membership passed
201: ok 13648 # correct SSSR count
201: ok 13649 # ring membership passed
201: ok 13650 # correct SSSR count
201: ok 13651 # ring membership passed
201: ok 13652 # correct SSSR count
201: ok 13653 # ring membership passed
201: ok 13654 # correct SSSR count
201: ok 13655 # ring membership passed
201: ok 13656 # correct SSSR count
201: ok 13657 # ring membership passed
201: ok 13658 # correct SSSR count
201: ok 13659 # ring membership passed
201: ok 13660 # correct SSSR count
201: ok 13661 # ring membership passed
201: ok 13662 # correct SSSR count
201: ok 13663 # ring membership passed
201: ok 13664 # correct SSSR count
201: ok 13665 # ring membership passed
201: ok 13666 # correct SSSR count
201: ok 13667 # ring membership passed
201: ok 13668 # correct SSSR count
201: ok 13669 # ring membership passed
201: ok 13670 # correct SSSR count
201: ok 13671 # ring membership passed
201: ok 13672 # correct SSSR count
201: ok 13673 # ring membership passed
201: ok 13674 # correct SSSR count
201: ok 13675 # ring membership passed
201: ok 13676 # correct SSSR count
201: ok 13677 # ring membership passed
201: ok 13678 # correct SSSR count
201: ok 13679 # ring membership passed
201: ok 13680 # correct SSSR count
201: ok 13681 # ring membership passed
201: ok 13682 # correct SSSR count
201: ok 13683 # ring membership passed
201: ok 13684 # correct SSSR count
201: ok 13685 # ring membership passed
201: ok 13686 # correct SSSR count
201: ok 13687 # ring membership passed
201: ok 13688 # correct SSSR count
201: ok 13689 # ring membership passed
201: ok 13690 # correct SSSR count
201: ok 13691 # ring membership passed
201: ok 13692 # correct SSSR count
201: ok 13693 # ring membership passed
201: ok 13694 # correct SSSR count
201: ok 13695 # ring membership passed
201: ok 13696 # correct SSSR count
201: ok 13697 # ring membership passed
201: ok 13698 # correct SSSR count
201: ok 13699 # ring membership passed
201: ok 13700 # correct SSSR count
201: ok 13701 # ring membership passed
201: ok 13702 # correct SSSR count
201: ok 13703 # ring membership passed
201: ok 13704 # correct SSSR count
201: ok 13705 # ring membership passed
201: ok 13706 # correct SSSR count
201: ok 13707 # ring membership passed
201: ok 13708 # correct SSSR count
201: ok 13709 # ring membership passed
201: ok 13710 # correct SSSR count
201: ok 13711 # ring membership passed
201: ok 13712 # correct SSSR count
201: ok 13713 # ring membership passed
201: ok 13714 # correct SSSR count
201: ok 13715 # ring membership passed
201: ok 13716 # correct SSSR count
201: ok 13717 # ring membership passed
201: ok 13718 # correct SSSR count
201: ok 13719 # ring membership passed
201: ok 13720 # correct SSSR count
201: ok 13721 # ring membership passed
201: ok 13722 # correct ring bond data
201: ok 13723 # correct ring bond data
201: ok 13724 # correct ring bond data
201: ok 13725 # correct ring bond data
201: ok 13726 # correct ring bond data
201: ok 13727 # correct ring bond data
201: ok 13728 # correct ring bond data
201: ok 13729 # SSSR size matches reference
201: ok 13730 # correct SSSR count
201: ok 13731 # ring membership passed
201: ok 13732 # correct SSSR count
201: ok 13733 # ring membership passed
201: ok 13734 # correct SSSR count
201: ok 13735 # ring membership passed
201: ok 13736 # correct SSSR count
201: ok 13737 # ring membership passed
201: ok 13738 # correct SSSR count
201: ok 13739 # ring membership passed
201: ok 13740 # correct SSSR count
201: ok 13741 # ring membership passed
201: ok 13742 # correct SSSR count
201: ok 13743 # ring membership passed
201: ok 13744 # correct SSSR count
201: ok 13745 # ring membership passed
201: ok 13746 # correct ring bond data
201: ok 13747 # correct ring bond data
201: ok 13748 # correct ring bond data
201: ok 13749 # correct ring bond data
201: ok 13750 # correct ring bond data
201: ok 13751 # correct ring bond data
201: ok 13752 # correct ring bond data
201: ok 13753 # correct ring bond data
201: ok 13754 # correct ring bond data
201: ok 13755 # correct ring bond data
201: ok 13756 # correct ring bond data
201: ok 13757 # correct ring bond data
201: ok 13758 # correct ring bond data
201: ok 13759 # correct ring bond data
201: ok 13760 # correct ring bond data
201: ok 13761 # correct ring bond data
201: ok 13762 # correct ring bond data
201: ok 13763 # SSSR size matches reference
201: ok 13764 # correct SSSR count
201: ok 13765 # ring membership passed
201: ok 13766 # correct SSSR count
201: ok 13767 # ring membership passed
201: ok 13768 # correct SSSR count
201: ok 13769 # ring membership passed
201: ok 13770 # correct SSSR count
201: ok 13771 # ring membership passed
201: ok 13772 # correct SSSR count
201: ok 13773 # ring membership passed
201: ok 13774 # correct SSSR count
201: ok 13775 # ring membership passed
201: ok 13776 # correct SSSR count
201: ok 13777 # ring membership passed
201: ok 13778 # correct SSSR count
201: ok 13779 # ring membership passed
201: ok 13780 # correct SSSR count
201: ok 13781 # ring membership passed
201: ok 13782 # correct SSSR count
201: ok 13783 # ring membership passed
201: ok 13784 # correct SSSR count
201: ok 13785 # ring membership passed
201: ok 13786 # correct SSSR count
201: ok 13787 # ring membership passed
201: ok 13788 # correct SSSR count
201: ok 13789 # ring membership passed
201: ok 13790 # correct SSSR count
201: ok 13791 # ring membership passed
201: ok 13792 # correct SSSR count
201: ok 13793 # ring membership passed
201: ok 13794 # correct SSSR count
201: ok 13795 # ring membership passed
201: ok 13796 # correct ring bond data
201: ok 13797 # correct ring bond data
201: ok 13798 # correct ring bond data
201: ok 13799 # correct ring bond data
201: ok 13800 # correct ring bond data
201: ok 13801 # correct ring bond data
201: ok 13802 # correct ring bond data
201: ok 13803 # correct ring bond data
201: ok 13804 # correct ring bond data
201: ok 13805 # correct ring bond data
201: ok 13806 # SSSR size matches reference
201: ok 13807 # correct SSSR count
201: ok 13808 # ring membership passed
201: ok 13809 # correct SSSR count
201: ok 13810 # ring membership passed
201: ok 13811 # correct SSSR count
201: ok 13812 # ring membership passed
201: ok 13813 # correct SSSR count
201: ok 13814 # ring membership passed
201: ok 13815 # correct SSSR count
201: ok 13816 # ring membership passed
201: ok 13817 # correct SSSR count
201: ok 13818 # ring membership passed
201: ok 13819 # correct SSSR count
201: ok 13820 # ring membership passed
201: ok 13821 # correct SSSR count
201: ok 13822 # ring membership passed
201: ok 13823 # correct SSSR count
201: ok 13824 # ring membership passed
201: ok 13825 # correct SSSR count
201: ok 13826 # ring membership passed
201: ok 13827 # correct ring bond data
201: ok 13828 # correct ring bond data
201: ok 13829 # correct ring bond data
201: ok 13830 # correct ring bond data
201: ok 13831 # correct ring bond data
201: ok 13832 # correct ring bond data
201: ok 13833 # correct ring bond data
201: ok 13834 # correct ring bond data
201: ok 13835 # correct ring bond data
201: ok 13836 # correct ring bond data
201: ok 13837 # correct ring bond data
201: ok 13838 # correct ring bond data
201: ok 13839 # correct ring bond data
201: ok 13840 # correct ring bond data
201: ok 13841 # correct ring bond data
201: ok 13842 # correct ring bond data
201: ok 13843 # correct ring bond data
201: ok 13844 # SSSR size matches reference
201: ok 13845 # correct SSSR count
201: ok 13846 # ring membership passed
201: ok 13847 # correct SSSR count
201: ok 13848 # ring membership passed
201: ok 13849 # correct SSSR count
201: ok 13850 # ring membership passed
201: ok 13851 # correct SSSR count
201: ok 13852 # ring membership passed
201: ok 13853 # correct SSSR count
201: ok 13854 # ring membership passed
201: ok 13855 # correct SSSR count
201: ok 13856 # ring membership passed
201: ok 13857 # correct SSSR count
201: ok 13858 # ring membership passed
201: ok 13859 # correct SSSR count
201: ok 13860 # ring membership passed
201: ok 13861 # correct SSSR count
201: ok 13862 # ring membership passed
201: ok 13863 # correct SSSR count
201: ok 13864 # ring membership passed
201: ok 13865 # correct SSSR count
201: ok 13866 # ring membership passed
201: ok 13867 # correct SSSR count
201: ok 13868 # ring membership passed
201: ok 13869 # correct SSSR count
201: ok 13870 # ring membership passed
201: ok 13871 # correct SSSR count
201: ok 13872 # ring membership passed
201: ok 13873 # correct SSSR count
201: ok 13874 # ring membership passed
201: ok 13875 # correct SSSR count
201: ok 13876 # ring membership passed
201: ok 13877 # correct ring bond data
201: ok 13878 # correct ring bond data
201: ok 13879 # correct ring bond data
201: ok 13880 # correct ring bond data
201: ok 13881 # correct ring bond data
201: ok 13882 # correct ring bond data
201: ok 13883 # correct ring bond data
201: ok 13884 # correct ring bond data
201: ok 13885 # correct ring bond data
201: ok 13886 # correct ring bond data
201: ok 13887 # correct ring bond data
201: ok 13888 # correct ring bond data
201: ok 13889 # correct ring bond data
201: ok 13890 # correct ring bond data
201: ok 13891 # correct ring bond data
201: ok 13892 # correct ring bond data
201: ok 13893 # correct ring bond data
201: ok 13894 # correct ring bond data
201: ok 13895 # correct ring bond data
201: ok 13896 # correct ring bond data
201: ok 13897 # correct ring bond data
201: ok 13898 # SSSR size matches reference
201: ok 13899 # correct SSSR count
201: ok 13900 # ring membership passed
201: ok 13901 # correct SSSR count
201: ok 13902 # ring membership passed
201: ok 13903 # correct SSSR count
201: ok 13904 # ring membership passed
201: ok 13905 # correct SSSR count
201: ok 13906 # ring membership passed
201: ok 13907 # correct SSSR count
201: ok 13908 # ring membership passed
201: ok 13909 # correct SSSR count
201: ok 13910 # ring membership passed
201: ok 13911 # correct SSSR count
201: ok 13912 # ring membership passed
201: ok 13913 # correct SSSR count
201: ok 13914 # ring membership passed
201: ok 13915 # correct SSSR count
201: ok 13916 # ring membership passed
201: ok 13917 # correct SSSR count
201: ok 13918 # ring membership passed
201: ok 13919 # correct SSSR count
201: ok 13920 # ring membership passed
201: ok 13921 # correct SSSR count
201: ok 13922 # ring membership passed
201: ok 13923 # correct SSSR count
201: ok 13924 # ring membership passed
201: ok 13925 # correct SSSR count
201: ok 13926 # ring membership passed
201: ok 13927 # correct SSSR count
201: ok 13928 # ring membership passed
201: ok 13929 # correct SSSR count
201: ok 13930 # ring membership passed
201: ok 13931 # correct SSSR count
201: ok 13932 # ring membership passed
201: ok 13933 # correct SSSR count
201: ok 13934 # ring membership passed
201: ok 13935 # correct SSSR count
201: ok 13936 # ring membership passed
201: ok 13937 # correct ring bond data
201: ok 13938 # correct ring bond data
201: ok 13939 # correct ring bond data
201: ok 13940 # correct ring bond data
201: ok 13941 # correct ring bond data
201: ok 13942 # correct ring bond data
201: ok 13943 # correct ring bond data
201: ok 13944 # correct ring bond data
201: ok 13945 # correct ring bond data
201: ok 13946 # correct ring bond data
201: ok 13947 # correct ring bond data
201: ok 13948 # correct ring bond data
201: ok 13949 # correct ring bond data
201: ok 13950 # correct ring bond data
201: ok 13951 # correct ring bond data
201: ok 13952 # SSSR size matches reference
201: ok 13953 # correct SSSR count
201: ok 13954 # ring membership passed
201: ok 13955 # correct SSSR count
201: ok 13956 # ring membership passed
201: ok 13957 # correct SSSR count
201: ok 13958 # ring membership passed
201: ok 13959 # correct SSSR count
201: ok 13960 # ring membership passed
201: ok 13961 # correct SSSR count
201: ok 13962 # ring membership passed
201: ok 13963 # correct SSSR count
201: ok 13964 # ring membership passed
201: ok 13965 # correct SSSR count
201: ok 13966 # ring membership passed
201: ok 13967 # correct SSSR count
201: ok 13968 # ring membership passed
201: ok 13969 # correct SSSR count
201: ok 13970 # ring membership passed
201: ok 13971 # correct SSSR count
201: ok 13972 # ring membership passed
201: ok 13973 # correct SSSR count
201: ok 13974 # ring membership passed
201: ok 13975 # correct SSSR count
201: ok 13976 # ring membership passed
201: ok 13977 # correct SSSR count
201: ok 13978 # ring membership passed
201: ok 13979 # correct SSSR count
201: ok 13980 # ring membership passed
201: ok 13981 # correct ring bond data
201: ok 13982 # correct ring bond data
201: ok 13983 # correct ring bond data
201: ok 13984 # correct ring bond data
201: ok 13985 # correct ring bond data
201: ok 13986 # correct ring bond data
201: ok 13987 # correct ring bond data
201: ok 13988 # correct ring bond data
201: ok 13989 # correct ring bond data
201: ok 13990 # correct ring bond data
201: ok 13991 # correct ring bond data
201: ok 13992 # SSSR size matches reference
201: ok 13993 # correct SSSR count
201: ok 13994 # ring membership passed
201: ok 13995 # correct SSSR count
201: ok 13996 # ring membership passed
201: ok 13997 # correct SSSR count
201: ok 13998 # ring membership passed
201: ok 13999 # correct SSSR count
201: ok 14000 # ring membership passed
201: ok 14001 # correct SSSR count
201: ok 14002 # ring membership passed
201: ok 14003 # correct SSSR count
201: ok 14004 # ring membership passed
201: ok 14005 # correct SSSR count
201: ok 14006 # ring membership passed
201: ok 14007 # correct SSSR count
201: ok 14008 # ring membership passed
201: ok 14009 # correct SSSR count
201: ok 14010 # ring membership passed
201: ok 14011 # correct SSSR count
201: ok 14012 # ring membership passed
201: ok 14013 # correct SSSR count
201: ok 14014 # ring membership passed
201: ok 14015 # correct ring bond data
201: ok 14016 # correct ring bond data
201: ok 14017 # correct ring bond data
201: ok 14018 # correct ring bond data
201: ok 14019 # correct ring bond data
201: ok 14020 # correct ring bond data
201: ok 14021 # correct ring bond data
201: ok 14022 # correct ring bond data
201: ok 14023 # correct ring bond data
201: ok 14024 # correct ring bond data
201: ok 14025 # correct ring bond data
201: ok 14026 # correct ring bond data
201: ok 14027 # correct ring bond data
201: ok 14028 # correct ring bond data
201: ok 14029 # correct ring bond data
201: ok 14030 # correct ring bond data
201: ok 14031 # correct ring bond data
201: ok 14032 # correct ring bond data
201: ok 14033 # correct ring bond data
201: ok 14034 # correct ring bond data
201: ok 14035 # correct ring bond data
201: ok 14036 # correct ring bond data
201: ok 14037 # SSSR size matches reference
201: ok 14038 # correct SSSR count
201: ok 14039 # ring membership passed
201: ok 14040 # correct SSSR count
201: ok 14041 # ring membership passed
201: ok 14042 # correct SSSR count
201: ok 14043 # ring membership passed
201: ok 14044 # correct SSSR count
201: ok 14045 # ring membership passed
201: ok 14046 # correct SSSR count
201: ok 14047 # ring membership passed
201: ok 14048 # correct SSSR count
201: ok 14049 # ring membership passed
201: ok 14050 # correct SSSR count
201: ok 14051 # ring membership passed
201: ok 14052 # correct SSSR count
201: ok 14053 # ring membership passed
201: ok 14054 # correct SSSR count
201: ok 14055 # ring membership passed
201: ok 14056 # correct SSSR count
201: ok 14057 # ring membership passed
201: ok 14058 # correct SSSR count
201: ok 14059 # ring membership passed
201: ok 14060 # correct SSSR count
201: ok 14061 # ring membership passed
201: ok 14062 # correct SSSR count
201: ok 14063 # ring membership passed
201: ok 14064 # correct SSSR count
201: ok 14065 # ring membership passed
201: ok 14066 # correct SSSR count
201: ok 14067 # ring membership passed
201: ok 14068 # correct SSSR count
201: ok 14069 # ring membership passed
201: ok 14070 # correct SSSR count
201: ok 14071 # ring membership passed
201: ok 14072 # correct SSSR count
201: ok 14073 # ring membership passed
201: ok 14074 # correct SSSR count
201: ok 14075 # ring membership passed
201: ok 14076 # correct ring bond data
201: ok 14077 # correct ring bond data
201: ok 14078 # correct ring bond data
201: ok 14079 # correct ring bond data
201: ok 14080 # correct ring bond data
201: ok 14081 # correct ring bond data
201: ok 14082 # correct ring bond data
201: ok 14083 # correct ring bond data
201: ok 14084 # correct ring bond data
201: ok 14085 # correct ring bond data
201: ok 14086 # correct ring bond data
201: ok 14087 # correct ring bond data
201: ok 14088 # correct ring bond data
201: ok 14089 # correct ring bond data
201: ok 14090 # correct ring bond data
201: ok 14091 # correct ring bond data
201: ok 14092 # correct ring bond data
201: ok 14093 # correct ring bond data
201: ok 14094 # correct ring bond data
201: ok 14095 # correct ring bond data
201: ok 14096 # correct ring bond data
201: ok 14097 # correct ring bond data
201: ok 14098 # correct ring bond data
201: ok 14099 # correct ring bond data
201: ok 14100 # correct ring bond data
201: ok 14101 # correct ring bond data
201: ok 14102 # correct ring bond data
201: ok 14103 # correct ring bond data
201: ok 14104 # correct ring bond data
201: ok 14105 # correct ring bond data
201: ok 14106 # correct ring bond data
201: ok 14107 # SSSR size matches reference
201: ok 14108 # correct SSSR count
201: ok 14109 # ring membership passed
201: ok 14110 # correct SSSR count
201: ok 14111 # ring membership passed
201: ok 14112 # correct SSSR count
201: ok 14113 # ring membership passed
201: ok 14114 # correct SSSR count
201: ok 14115 # ring membership passed
201: ok 14116 # correct SSSR count
201: ok 14117 # ring membership passed
201: ok 14118 # correct SSSR count
201: ok 14119 # ring membership passed
201: ok 14120 # correct SSSR count
201: ok 14121 # ring membership passed
201: ok 14122 # correct SSSR count
201: ok 14123 # ring membership passed
201: ok 14124 # correct SSSR count
201: ok 14125 # ring membership passed
201: ok 14126 # correct SSSR count
201: ok 14127 # ring membership passed
201: ok 14128 # correct SSSR count
201: ok 14129 # ring membership passed
201: ok 14130 # correct SSSR count
201: ok 14131 # ring membership passed
201: ok 14132 # correct SSSR count
201: ok 14133 # ring membership passed
201: ok 14134 # correct SSSR count
201: ok 14135 # ring membership passed
201: ok 14136 # correct SSSR count
201: ok 14137 # ring membership passed
201: ok 14138 # correct SSSR count
201: ok 14139 # ring membership passed
201: ok 14140 # correct SSSR count
201: ok 14141 # ring membership passed
201: ok 14142 # correct SSSR count
201: ok 14143 # ring membership passed
201: ok 14144 # correct SSSR count
201: ok 14145 # ring membership passed
201: ok 14146 # correct SSSR count
201: ok 14147 # ring membership passed
201: ok 14148 # correct SSSR count
201: ok 14149 # ring membership passed
201: ok 14150 # correct SSSR count
201: ok 14151 # ring membership passed
201: ok 14152 # correct SSSR count
201: ok 14153 # ring membership passed
201: ok 14154 # correct SSSR count
201: ok 14155 # ring membership passed
201: ok 14156 # correct SSSR count
201: ok 14157 # ring membership passed
201: ok 14158 # correct SSSR count
201: ok 14159 # ring membership passed
201: ok 14160 # correct SSSR count
201: ok 14161 # ring membership passed
201: ok 14162 # correct SSSR count
201: ok 14163 # ring membership passed
201: ok 14164 # correct ring bond data
201: ok 14165 # correct ring bond data
201: ok 14166 # correct ring bond data
201: ok 14167 # correct ring bond data
201: ok 14168 # correct ring bond data
201: ok 14169 # correct ring bond data
201: ok 14170 # correct ring bond data
201: ok 14171 # correct ring bond data
201: ok 14172 # correct ring bond data
201: ok 14173 # correct ring bond data
201: ok 14174 # correct ring bond data
201: ok 14175 # correct ring bond data
201: ok 14176 # correct ring bond data
201: ok 14177 # correct ring bond data
201: ok 14178 # correct ring bond data
201: ok 14179 # correct ring bond data
201: ok 14180 # correct ring bond data
201: ok 14181 # correct ring bond data
201: ok 14182 # correct ring bond data
201: ok 14183 # correct ring bond data
201: ok 14184 # correct ring bond data
201: ok 14185 # correct ring bond data
201: ok 14186 # correct ring bond data
201: ok 14187 # SSSR size matches reference
201: ok 14188 # correct SSSR count
201: ok 14189 # ring membership passed
201: ok 14190 # correct SSSR count
201: ok 14191 # ring membership passed
201: ok 14192 # correct SSSR count
201: ok 14193 # ring membership passed
201: ok 14194 # correct SSSR count
201: ok 14195 # ring membership passed
201: ok 14196 # correct SSSR count
201: ok 14197 # ring membership passed
201: ok 14198 # correct SSSR count
201: ok 14199 # ring membership passed
201: ok 14200 # correct SSSR count
201: ok 14201 # ring membership passed
201: ok 14202 # correct SSSR count
201: ok 14203 # ring membership passed
201: ok 14204 # correct SSSR count
201: ok 14205 # ring membership passed
201: ok 14206 # correct SSSR count
201: ok 14207 # ring membership passed
201: ok 14208 # correct SSSR count
201: ok 14209 # ring membership passed
201: ok 14210 # correct SSSR count
201: ok 14211 # ring membership passed
201: ok 14212 # correct SSSR count
201: ok 14213 # ring membership passed
201: ok 14214 # correct SSSR count
201: ok 14215 # ring membership passed
201: ok 14216 # correct SSSR count
201: ok 14217 # ring membership passed
201: ok 14218 # correct SSSR count
201: ok 14219 # ring membership passed
201: ok 14220 # correct SSSR count
201: ok 14221 # ring membership passed
201: ok 14222 # correct SSSR count
201: ok 14223 # ring membership passed
201: ok 14224 # correct SSSR count
201: ok 14225 # ring membership passed
201: ok 14226 # correct SSSR count
201: ok 14227 # ring membership passed
201: ok 14228 # correct SSSR count
201: ok 14229 # ring membership passed
201: ok 14230 # correct SSSR count
201: ok 14231 # ring membership passed
201: ok 14232 # correct ring bond data
201: ok 14233 # correct ring bond data
201: ok 14234 # correct ring bond data
201: ok 14235 # correct ring bond data
201: ok 14236 # correct ring bond data
201: ok 14237 # correct ring bond data
201: ok 14238 # correct ring bond data
201: ok 14239 # correct ring bond data
201: ok 14240 # correct ring bond data
201: ok 14241 # correct ring bond data
201: ok 14242 # correct ring bond data
201: ok 14243 # correct ring bond data
201: ok 14244 # correct ring bond data
201: ok 14245 # correct ring bond data
201: ok 14246 # correct ring bond data
201: ok 14247 # correct ring bond data
201: ok 14248 # SSSR size matches reference
201: ok 14249 # correct SSSR count
201: ok 14250 # ring membership passed
201: ok 14251 # correct SSSR count
201: ok 14252 # ring membership passed
201: ok 14253 # correct SSSR count
201: ok 14254 # ring membership passed
201: ok 14255 # correct SSSR count
201: ok 14256 # ring membership passed
201: ok 14257 # correct SSSR count
201: ok 14258 # ring membership passed
201: ok 14259 # correct SSSR count
201: ok 14260 # ring membership passed
201: ok 14261 # correct SSSR count
201: ok 14262 # ring membership passed
201: ok 14263 # correct SSSR count
201: ok 14264 # ring membership passed
201: ok 14265 # correct SSSR count
201: ok 14266 # ring membership passed
201: ok 14267 # correct SSSR count
201: ok 14268 # ring membership passed
201: ok 14269 # correct SSSR count
201: ok 14270 # ring membership passed
201: ok 14271 # correct SSSR count
201: ok 14272 # ring membership passed
201: ok 14273 # correct SSSR count
201: ok 14274 # ring membership passed
201: ok 14275 # correct SSSR count
201: ok 14276 # ring membership passed
201: ok 14277 # correct SSSR count
201: ok 14278 # ring membership passed
201: ok 14279 # correct ring bond data
201: ok 14280 # correct ring bond data
201: ok 14281 # correct ring bond data
201: ok 14282 # correct ring bond data
201: ok 14283 # correct ring bond data
201: ok 14284 # correct ring bond data
201: ok 14285 # correct ring bond data
201: ok 14286 # correct ring bond data
201: ok 14287 # correct ring bond data
201: ok 14288 # correct ring bond data
201: ok 14289 # correct ring bond data
201: ok 14290 # correct ring bond data
201: ok 14291 # correct ring bond data
201: ok 14292 # correct ring bond data
201: ok 14293 # correct ring bond data
201: ok 14294 # correct ring bond data
201: ok 14295 # correct ring bond data
201: ok 14296 # correct ring bond data
201: ok 14297 # correct ring bond data
201: ok 14298 # correct ring bond data
201: ok 14299 # correct ring bond data
201: ok 14300 # correct ring bond data
201: ok 14301 # correct ring bond data
201: ok 14302 # correct ring bond data
201: ok 14303 # correct ring bond data
201: ok 14304 # correct ring bond data
201: ok 14305 # correct ring bond data
201: ok 14306 # correct ring bond data
201: ok 14307 # correct ring bond data
201: ok 14308 # correct ring bond data
201: ok 14309 # correct ring bond data
201: ok 14310 # correct ring bond data
201: ok 14311 # correct ring bond data
201: ok 14312 # correct ring bond data
201: ok 14313 # correct ring bond data
201: ok 14314 # correct ring bond data
201: ok 14315 # correct ring bond data
201: ok 14316 # correct ring bond data
201: ok 14317 # correct ring bond data
201: ok 14318 # correct ring bond data
201: ok 14319 # correct ring bond data
201: ok 14320 # correct ring bond data
201: ok 14321 # correct ring bond data
201: ok 14322 # correct ring bond data
201: ok 14323 # correct ring bond data
201: ok 14324 # correct ring bond data
201: ok 14325 # correct ring bond data
201: ok 14326 # SSSR size matches reference
201: ok 14327 # correct SSSR count
201: ok 14328 # ring membership passed
201: ok 14329 # correct SSSR count
201: ok 14330 # ring membership passed
201: ok 14331 # correct SSSR count
201: ok 14332 # ring membership passed
201: ok 14333 # correct SSSR count
201: ok 14334 # ring membership passed
201: ok 14335 # correct SSSR count
201: ok 14336 # ring membership passed
201: ok 14337 # correct SSSR count
201: ok 14338 # ring membership passed
201: ok 14339 # correct SSSR count
201: ok 14340 # ring membership passed
201: ok 14341 # correct SSSR count
201: ok 14342 # ring membership passed
201: ok 14343 # correct SSSR count
201: ok 14344 # ring membership passed
201: ok 14345 # correct SSSR count
201: ok 14346 # ring membership passed
201: ok 14347 # correct SSSR count
201: ok 14348 # ring membership passed
201: ok 14349 # correct SSSR count
201: ok 14350 # ring membership passed
201: ok 14351 # correct SSSR count
201: ok 14352 # ring membership passed
201: ok 14353 # correct SSSR count
201: ok 14354 # ring membership passed
201: ok 14355 # correct SSSR count
201: ok 14356 # ring membership passed
201: ok 14357 # correct SSSR count
201: ok 14358 # ring membership passed
201: ok 14359 # correct SSSR count
201: ok 14360 # ring membership passed
201: ok 14361 # correct SSSR count
201: ok 14362 # ring membership passed
201: ok 14363 # correct SSSR count
201: ok 14364 # ring membership passed
201: ok 14365 # correct SSSR count
201: ok 14366 # ring membership passed
201: ok 14367 # correct SSSR count
201: ok 14368 # ring membership passed
201: ok 14369 # correct SSSR count
201: ok 14370 # ring membership passed
201: ok 14371 # correct SSSR count
201: ok 14372 # ring membership passed
201: ok 14373 # correct SSSR count
201: ok 14374 # ring membership passed
201: ok 14375 # correct SSSR count
201: ok 14376 # ring membership passed
201: ok 14377 # correct SSSR count
201: ok 14378 # ring membership passed
201: ok 14379 # correct SSSR count
201: ok 14380 # ring membership passed
201: ok 14381 # correct SSSR count
201: ok 14382 # ring membership passed
201: ok 14383 # correct SSSR count
201: ok 14384 # ring membership passed
201: ok 14385 # correct SSSR count
201: ok 14386 # ring membership passed
201: ok 14387 # correct SSSR count
201: ok 14388 # ring membership passed
201: ok 14389 # correct SSSR count
201: ok 14390 # ring membership passed
201: ok 14391 # correct SSSR count
201: ok 14392 # ring membership passed
201: ok 14393 # correct SSSR count
201: ok 14394 # ring membership passed
201: ok 14395 # correct SSSR count
201: ok 14396 # ring membership passed
201: ok 14397 # correct SSSR count
201: ok 14398 # ring membership passed
201: ok 14399 # correct SSSR count
201: ok 14400 # ring membership passed
201: ok 14401 # correct SSSR count
201: ok 14402 # ring membership passed
201: ok 14403 # correct SSSR count
201: ok 14404 # ring membership passed
201: ok 14405 # correct SSSR count
201: ok 14406 # ring membership passed
201: ok 14407 # correct SSSR count
201: ok 14408 # ring membership passed
201: ok 14409 # correct SSSR count
201: ok 14410 # ring membership passed
201: ok 14411 # correct SSSR count
201: ok 14412 # ring membership passed
201: ok 14413 # correct SSSR count
201: ok 14414 # ring membership passed
201: ok 14415 # correct SSSR count
201: ok 14416 # ring membership passed
201: ok 14417 # correct ring bond data
201: ok 14418 # correct ring bond data
201: ok 14419 # correct ring bond data
201: ok 14420 # correct ring bond data
201: ok 14421 # correct ring bond data
201: ok 14422 # correct ring bond data
201: ok 14423 # correct ring bond data
201: ok 14424 # correct ring bond data
201: ok 14425 # correct ring bond data
201: ok 14426 # correct ring bond data
201: ok 14427 # correct ring bond data
201: ok 14428 # correct ring bond data
201: ok 14429 # correct ring bond data
201: ok 14430 # correct ring bond data
201: ok 14431 # correct ring bond data
201: ok 14432 # correct ring bond data
201: ok 14433 # correct ring bond data
201: ok 14434 # correct ring bond data
201: ok 14435 # correct ring bond data
201: ok 14436 # correct ring bond data
201: ok 14437 # correct ring bond data
201: ok 14438 # correct ring bond data
201: ok 14439 # correct ring bond data
201: ok 14440 # correct ring bond data
201: ok 14441 # correct ring bond data
201: ok 14442 # correct ring bond data
201: ok 14443 # correct ring bond data
201: ok 14444 # correct ring bond data
201: ok 14445 # correct ring bond data
201: ok 14446 # correct ring bond data
201: ok 14447 # correct ring bond data
201: ok 14448 # correct ring bond data
201: ok 14449 # correct ring bond data
201: ok 14450 # correct ring bond data
201: ok 14451 # correct ring bond data
201: ok 14452 # correct ring bond data
201: ok 14453 # correct ring bond data
201: ok 14454 # SSSR size matches reference
201: ok 14455 # correct SSSR count
201: ok 14456 # ring membership passed
201: ok 14457 # correct SSSR count
201: ok 14458 # ring membership passed
201: ok 14459 # correct SSSR count
201: ok 14460 # ring membership passed
201: ok 14461 # correct SSSR count
201: ok 14462 # ring membership passed
201: ok 14463 # correct SSSR count
201: ok 14464 # ring membership passed
201: ok 14465 # correct SSSR count
201: ok 14466 # ring membership passed
201: ok 14467 # correct SSSR count
201: ok 14468 # ring membership passed
201: ok 14469 # correct SSSR count
201: ok 14470 # ring membership passed
201: ok 14471 # correct SSSR count
201: ok 14472 # ring membership passed
201: ok 14473 # correct SSSR count
201: ok 14474 # ring membership passed
201: ok 14475 # correct SSSR count
201: ok 14476 # ring membership passed
201: ok 14477 # correct SSSR count
201: ok 14478 # ring membership passed
201: ok 14479 # correct SSSR count
201: ok 14480 # ring membership passed
201: ok 14481 # correct SSSR count
201: ok 14482 # ring membership passed
201: ok 14483 # correct SSSR count
201: ok 14484 # ring membership passed
201: ok 14485 # correct SSSR count
201: ok 14486 # ring membership passed
201: ok 14487 # correct SSSR count
201: ok 14488 # ring membership passed
201: ok 14489 # correct SSSR count
201: ok 14490 # ring membership passed
201: ok 14491 # correct SSSR count
201: ok 14492 # ring membership passed
201: ok 14493 # correct SSSR count
201: ok 14494 # ring membership passed
201: ok 14495 # correct SSSR count
201: ok 14496 # ring membership passed
201: ok 14497 # correct SSSR count
201: ok 14498 # ring membership passed
201: ok 14499 # correct SSSR count
201: ok 14500 # ring membership passed
201: ok 14501 # correct SSSR count
201: ok 14502 # ring membership passed
201: ok 14503 # correct SSSR count
201: ok 14504 # ring membership passed
201: ok 14505 # correct SSSR count
201: ok 14506 # ring membership passed
201: ok 14507 # correct SSSR count
201: ok 14508 # ring membership passed
201: ok 14509 # correct SSSR count
201: ok 14510 # ring membership passed
201: ok 14511 # correct SSSR count
201: ok 14512 # ring membership passed
201: ok 14513 # correct SSSR count
201: ok 14514 # ring membership passed
201: ok 14515 # correct SSSR count
201: ok 14516 # ring membership passed
201: ok 14517 # correct SSSR count
201: ok 14518 # ring membership passed
201: ok 14519 # correct SSSR count
201: ok 14520 # ring membership passed
201: ok 14521 # correct ring bond data
201: ok 14522 # correct ring bond data
201: ok 14523 # correct ring bond data
201: ok 14524 # correct ring bond data
201: ok 14525 # correct ring bond data
201: ok 14526 # correct ring bond data
201: ok 14527 # correct ring bond data
201: ok 14528 # correct ring bond data
201: ok 14529 # correct ring bond data
201: ok 14530 # correct ring bond data
201: ok 14531 # correct ring bond data
201: ok 14532 # correct ring bond data
201: ok 14533 # correct ring bond data
201: ok 14534 # correct ring bond data
201: ok 14535 # correct ring bond data
201: ok 14536 # correct ring bond data
201: ok 14537 # correct ring bond data
201: ok 14538 # correct ring bond data
201: ok 14539 # correct ring bond data
201: ok 14540 # correct ring bond data
201: ok 14541 # correct ring bond data
201: ok 14542 # correct ring bond data
201: ok 14543 # correct ring bond data
201: ok 14544 # correct ring bond data
201: ok 14545 # correct ring bond data
201: ok 14546 # correct ring bond data
201: ok 14547 # SSSR size matches reference
201: ok 14548 # correct SSSR count
201: ok 14549 # ring membership passed
201: ok 14550 # correct SSSR count
201: ok 14551 # ring membership passed
201: ok 14552 # correct SSSR count
201: ok 14553 # ring membership passed
201: ok 14554 # correct SSSR count
201: ok 14555 # ring membership passed
201: ok 14556 # correct SSSR count
201: ok 14557 # ring membership passed
201: ok 14558 # correct SSSR count
201: ok 14559 # ring membership passed
201: ok 14560 # correct SSSR count
201: ok 14561 # ring membership passed
201: ok 14562 # correct SSSR count
201: ok 14563 # ring membership passed
201: ok 14564 # correct SSSR count
201: ok 14565 # ring membership passed
201: ok 14566 # correct SSSR count
201: ok 14567 # ring membership passed
201: ok 14568 # correct SSSR count
201: ok 14569 # ring membership passed
201: ok 14570 # correct SSSR count
201: ok 14571 # ring membership passed
201: ok 14572 # correct SSSR count
201: ok 14573 # ring membership passed
201: ok 14574 # correct SSSR count
201: ok 14575 # ring membership passed
201: ok 14576 # correct SSSR count
201: ok 14577 # ring membership passed
201: ok 14578 # correct SSSR count
201: ok 14579 # ring membership passed
201: ok 14580 # correct SSSR count
201: ok 14581 # ring membership passed
201: ok 14582 # correct SSSR count
201: ok 14583 # ring membership passed
201: ok 14584 # correct SSSR count
201: ok 14585 # ring membership passed
201: ok 14586 # correct SSSR count
201: ok 14587 # ring membership passed
201: ok 14588 # correct SSSR count
201: ok 14589 # ring membership passed
201: ok 14590 # correct SSSR count
201: ok 14591 # ring membership passed
201: ok 14592 # correct SSSR count
201: ok 14593 # ring membership passed
201: ok 14594 # correct SSSR count
201: ok 14595 # ring membership passed
201: ok 14596 # correct SSSR count
201: ok 14597 # ring membership passed
201: ok 14598 # correct SSSR count
201: ok 14599 # ring membership passed
201: ok 14600 # correct ring bond data
201: ok 14601 # correct ring bond data
201: ok 14602 # correct ring bond data
201: ok 14603 # correct ring bond data
201: ok 14604 # correct ring bond data
201: ok 14605 # correct ring bond data
201: ok 14606 # correct ring bond data
201: ok 14607 # correct ring bond data
201: ok 14608 # correct ring bond data
201: ok 14609 # correct ring bond data
201: ok 14610 # correct ring bond data
201: ok 14611 # correct ring bond data
201: ok 14612 # correct ring bond data
201: ok 14613 # correct ring bond data
201: ok 14614 # correct ring bond data
201: ok 14615 # correct ring bond data
201: ok 14616 # correct ring bond data
201: ok 14617 # correct ring bond data
201: ok 14618 # correct ring bond data
201: ok 14619 # correct ring bond data
201: ok 14620 # correct ring bond data
201: ok 14621 # correct ring bond data
201: ok 14622 # correct ring bond data
201: ok 14623 # correct ring bond data
201: ok 14624 # correct ring bond data
201: ok 14625 # correct ring bond data
201: ok 14626 # correct ring bond data
201: ok 14627 # correct ring bond data
201: ok 14628 # correct ring bond data
201: ok 14629 # correct ring bond data
201: ok 14630 # correct ring bond data
201: ok 14631 # correct ring bond data
201: ok 14632 # correct ring bond data
201: ok 14633 # correct ring bond data
201: ok 14634 # correct ring bond data
201: ok 14635 # correct ring bond data
201: ok 14636 # correct ring bond data
201: ok 14637 # correct ring bond data
201: ok 14638 # correct ring bond data
201: ok 14639 # correct ring bond data
201: ok 14640 # correct ring bond data
201: ok 14641 # correct ring bond data
201: ok 14642 # SSSR size matches reference
201: ok 14643 # correct SSSR count
201: ok 14644 # ring membership passed
201: ok 14645 # correct SSSR count
201: ok 14646 # ring membership passed
201: ok 14647 # correct SSSR count
201: ok 14648 # ring membership passed
201: ok 14649 # correct SSSR count
201: ok 14650 # ring membership passed
201: ok 14651 # correct SSSR count
201: ok 14652 # ring membership passed
201: ok 14653 # correct SSSR count
201: ok 14654 # ring membership passed
201: ok 14655 # correct SSSR count
201: ok 14656 # ring membership passed
201: ok 14657 # correct SSSR count
201: ok 14658 # ring membership passed
201: ok 14659 # correct SSSR count
201: ok 14660 # ring membership passed
201: ok 14661 # correct SSSR count
201: ok 14662 # ring membership passed
201: ok 14663 # correct SSSR count
201: ok 14664 # ring membership passed
201: ok 14665 # correct SSSR count
201: ok 14666 # ring membership passed
201: ok 14667 # correct SSSR count
201: ok 14668 # ring membership passed
201: ok 14669 # correct SSSR count
201: ok 14670 # ring membership passed
201: ok 14671 # correct SSSR count
201: ok 14672 # ring membership passed
201: ok 14673 # correct SSSR count
201: ok 14674 # ring membership passed
201: ok 14675 # correct SSSR count
201: ok 14676 # ring membership passed
201: ok 14677 # correct SSSR count
201: ok 14678 # ring membership passed
201: ok 14679 # correct SSSR count
201: ok 14680 # ring membership passed
201: ok 14681 # correct SSSR count
201: ok 14682 # ring membership passed
201: ok 14683 # correct SSSR count
201: ok 14684 # ring membership passed
201: ok 14685 # correct SSSR count
201: ok 14686 # ring membership passed
201: ok 14687 # correct SSSR count
201: ok 14688 # ring membership passed
201: ok 14689 # correct SSSR count
201: ok 14690 # ring membership passed
201: ok 14691 # correct SSSR count
201: ok 14692 # ring membership passed
201: ok 14693 # correct SSSR count
201: ok 14694 # ring membership passed
201: ok 14695 # correct SSSR count
201: ok 14696 # ring membership passed
201: ok 14697 # correct SSSR count
201: ok 14698 # ring membership passed
201: ok 14699 # correct SSSR count
201: ok 14700 # ring membership passed
201: ok 14701 # correct SSSR count
201: ok 14702 # ring membership passed
201: ok 14703 # correct SSSR count
201: ok 14704 # ring membership passed
201: ok 14705 # correct SSSR count
201: ok 14706 # ring membership passed
201: ok 14707 # correct SSSR count
201: ok 14708 # ring membership passed
201: ok 14709 # correct SSSR count
201: ok 14710 # ring membership passed
201: ok 14711 # correct SSSR count
201: ok 14712 # ring membership passed
201: ok 14713 # correct SSSR count
201: ok 14714 # ring membership passed
201: ok 14715 # correct SSSR count
201: ok 14716 # ring membership passed
201: ok 14717 # correct SSSR count
201: ok 14718 # ring membership passed
201: ok 14719 # correct SSSR count
201: ok 14720 # ring membership passed
201: ok 14721 # correct SSSR count
201: ok 14722 # ring membership passed
201: ok 14723 # correct SSSR count
201: ok 14724 # ring membership passed
201: ok 14725 # correct ring bond data
201: ok 14726 # correct ring bond data
201: ok 14727 # correct ring bond data
201: ok 14728 # correct ring bond data
201: ok 14729 # correct ring bond data
201: ok 14730 # correct ring bond data
201: ok 14731 # correct ring bond data
201: ok 14732 # correct ring bond data
201: ok 14733 # correct ring bond data
201: ok 14734 # correct ring bond data
201: ok 14735 # correct ring bond data
201: ok 14736 # correct ring bond data
201: ok 14737 # correct ring bond data
201: ok 14738 # correct ring bond data
201: ok 14739 # correct ring bond data
201: ok 14740 # SSSR size matches reference
201: ok 14741 # correct SSSR count
201: ok 14742 # ring membership passed
201: ok 14743 # correct SSSR count
201: ok 14744 # ring membership passed
201: ok 14745 # correct SSSR count
201: ok 14746 # ring membership passed
201: ok 14747 # correct SSSR count
201: ok 14748 # ring membership passed
201: ok 14749 # correct SSSR count
201: ok 14750 # ring membership passed
201: ok 14751 # correct SSSR count
201: ok 14752 # ring membership passed
201: ok 14753 # correct SSSR count
201: ok 14754 # ring membership passed
201: ok 14755 # correct SSSR count
201: ok 14756 # ring membership passed
201: ok 14757 # correct SSSR count
201: ok 14758 # ring membership passed
201: ok 14759 # correct SSSR count
201: ok 14760 # ring membership passed
201: ok 14761 # correct SSSR count
201: ok 14762 # ring membership passed
201: ok 14763 # correct SSSR count
201: ok 14764 # ring membership passed
201: ok 14765 # correct SSSR count
201: ok 14766 # ring membership passed
201: ok 14767 # correct SSSR count
201: ok 14768 # ring membership passed
201: ok 14769 # correct ring bond data
201: ok 14770 # correct ring bond data
201: ok 14771 # correct ring bond data
201: ok 14772 # correct ring bond data
201: ok 14773 # correct ring bond data
201: ok 14774 # correct ring bond data
201: ok 14775 # correct ring bond data
201: ok 14776 # correct ring bond data
201: ok 14777 # correct ring bond data
201: ok 14778 # correct ring bond data
201: ok 14779 # correct ring bond data
201: ok 14780 # SSSR size matches reference
201: ok 14781 # correct SSSR count
201: ok 14782 # ring membership passed
201: ok 14783 # correct SSSR count
201: ok 14784 # ring membership passed
201: ok 14785 # correct SSSR count
201: ok 14786 # ring membership passed
201: ok 14787 # correct SSSR count
201: ok 14788 # ring membership passed
201: ok 14789 # correct SSSR count
201: ok 14790 # ring membership passed
201: ok 14791 # correct SSSR count
201: ok 14792 # ring membership passed
201: ok 14793 # correct SSSR count
201: ok 14794 # ring membership passed
201: ok 14795 # correct SSSR count
201: ok 14796 # ring membership passed
201: ok 14797 # correct SSSR count
201: ok 14798 # ring membership passed
201: ok 14799 # correct SSSR count
201: ok 14800 # ring membership passed
201: ok 14801 # correct SSSR count
201: ok 14802 # ring membership passed
201: ok 14803 # correct SSSR count
201: ok 14804 # ring membership passed
201: ok 14805 # correct ring bond data
201: ok 14806 # correct ring bond data
201: ok 14807 # correct ring bond data
201: ok 14808 # correct ring bond data
201: ok 14809 # correct ring bond data
201: ok 14810 # correct ring bond data
201: ok 14811 # correct ring bond data
201: ok 14812 # correct ring bond data
201: ok 14813 # SSSR size matches reference
201: ok 14814 # correct SSSR count
201: ok 14815 # ring membership passed
201: ok 14816 # correct SSSR count
201: ok 14817 # ring membership passed
201: ok 14818 # correct SSSR count
201: ok 14819 # ring membership passed
201: ok 14820 # correct SSSR count
201: ok 14821 # ring membership passed
201: ok 14822 # correct SSSR count
201: ok 14823 # ring membership passed
201: ok 14824 # correct SSSR count
201: ok 14825 # ring membership passed
201: ok 14826 # correct SSSR count
201: ok 14827 # ring membership passed
201: ok 14828 # correct SSSR count
201: ok 14829 # ring membership passed
201: ok 14830 # correct SSSR count
201: ok 14831 # ring membership passed
201: ok 14832 # correct SSSR count
201: ok 14833 # ring membership passed
201: ok 14834 # correct ring bond data
201: ok 14835 # correct ring bond data
201: ok 14836 # correct ring bond data
201: ok 14837 # correct ring bond data
201: ok 14838 # correct ring bond data
201: ok 14839 # correct ring bond data
201: ok 14840 # correct ring bond data
201: ok 14841 # correct ring bond data
201: ok 14842 # correct ring bond data
201: ok 14843 # correct ring bond data
201: ok 14844 # correct ring bond data
201: ok 14845 # correct ring bond data
201: ok 14846 # correct ring bond data
201: ok 14847 # correct ring bond data
201: ok 14848 # correct ring bond data
201: ok 14849 # SSSR size matches reference
201: ok 14850 # correct SSSR count
201: ok 14851 # ring membership passed
201: ok 14852 # correct SSSR count
201: ok 14853 # ring membership passed
201: ok 14854 # correct SSSR count
201: ok 14855 # ring membership passed
201: ok 14856 # correct SSSR count
201: ok 14857 # ring membership passed
201: ok 14858 # correct SSSR count
201: ok 14859 # ring membership passed
201: ok 14860 # correct SSSR count
201: ok 14861 # ring membership passed
201: ok 14862 # correct SSSR count
201: ok 14863 # ring membership passed
201: ok 14864 # correct SSSR count
201: ok 14865 # ring membership passed
201: ok 14866 # correct SSSR count
201: ok 14867 # ring membership passed
201: ok 14868 # correct SSSR count
201: ok 14869 # ring membership passed
201: ok 14870 # correct SSSR count
201: ok 14871 # ring membership passed
201: ok 14872 # correct SSSR count
201: ok 14873 # ring membership passed
201: ok 14874 # correct SSSR count
201: ok 14875 # ring membership passed
201: ok 14876 # correct SSSR count
201: ok 14877 # ring membership passed
201: ok 14878 # correct SSSR count
201: ok 14879 # ring membership passed
201: ok 14880 # correct SSSR count
201: ok 14881 # ring membership passed
201: ok 14882 # correct ring bond data
201: ok 14883 # correct ring bond data
201: ok 14884 # correct ring bond data
201: ok 14885 # correct ring bond data
201: ok 14886 # correct ring bond data
201: ok 14887 # correct ring bond data
201: ok 14888 # correct ring bond data
201: ok 14889 # correct ring bond data
201: ok 14890 # correct ring bond data
201: ok 14891 # correct ring bond data
201: ok 14892 # correct ring bond data
201: ok 14893 # SSSR size matches reference
201: ok 14894 # correct SSSR count
201: ok 14895 # ring membership passed
201: ok 14896 # correct SSSR count
201: ok 14897 # ring membership passed
201: ok 14898 # correct SSSR count
201: ok 14899 # ring membership passed
201: ok 14900 # correct SSSR count
201: ok 14901 # ring membership passed
201: ok 14902 # correct SSSR count
201: ok 14903 # ring membership passed
201: ok 14904 # correct SSSR count
201: ok 14905 # ring membership passed
201: ok 14906 # correct SSSR count
201: ok 14907 # ring membership passed
201: ok 14908 # correct SSSR count
201: ok 14909 # ring membership passed
201: ok 14910 # correct SSSR count
201: ok 14911 # ring membership passed
201: ok 14912 # correct SSSR count
201: ok 14913 # ring membership passed
201: ok 14914 # correct SSSR count
201: ok 14915 # ring membership passed
201: ok 14916 # correct SSSR count
201: ok 14917 # ring membership passed
201: ok 14918 # correct SSSR count
201: ok 14919 # ring membership passed
201: ok 14920 # correct ring bond data
201: ok 14921 # correct ring bond data
201: ok 14922 # correct ring bond data
201: ok 14923 # correct ring bond data
201: ok 14924 # correct ring bond data
201: ok 14925 # correct ring bond data
201: ok 14926 # SSSR size matches reference
201: ok 14927 # correct SSSR count
201: ok 14928 # ring membership passed
201: ok 14929 # correct SSSR count
201: ok 14930 # ring membership passed
201: ok 14931 # correct SSSR count
201: ok 14932 # ring membership passed
201: ok 14933 # correct SSSR count
201: ok 14934 # ring membership passed
201: ok 14935 # correct SSSR count
201: ok 14936 # ring membership passed
201: ok 14937 # correct SSSR count
201: ok 14938 # ring membership passed
201: ok 14939 # correct SSSR count
201: ok 14940 # ring membership passed
201: ok 14941 # correct SSSR count
201: ok 14942 # ring membership passed
201: ok 14943 # correct ring bond data
201: ok 14944 # correct ring bond data
201: ok 14945 # correct ring bond data
201: ok 14946 # correct ring bond data
201: ok 14947 # correct ring bond data
201: ok 14948 # correct ring bond data
201: ok 14949 # correct ring bond data
201: ok 14950 # correct ring bond data
201: ok 14951 # correct ring bond data
201: ok 14952 # correct ring bond data
201: ok 14953 # correct ring bond data
201: ok 14954 # correct ring bond data
201: ok 14955 # correct ring bond data
201: ok 14956 # SSSR size matches reference
201: ok 14957 # correct SSSR count
201: ok 14958 # ring membership passed
201: ok 14959 # correct SSSR count
201: ok 14960 # ring membership passed
201: ok 14961 # correct SSSR count
201: ok 14962 # ring membership passed
201: ok 14963 # correct SSSR count
201: ok 14964 # ring membership passed
201: ok 14965 # correct SSSR count
201: ok 14966 # ring membership passed
201: ok 14967 # correct SSSR count
201: ok 14968 # ring membership passed
201: ok 14969 # correct SSSR count
201: ok 14970 # ring membership passed
201: ok 14971 # correct SSSR count
201: ok 14972 # ring membership passed
201: ok 14973 # correct SSSR count
201: ok 14974 # ring membership passed
201: ok 14975 # correct SSSR count
201: ok 14976 # ring membership passed
201: ok 14977 # correct SSSR count
201: ok 14978 # ring membership passed
201: ok 14979 # correct SSSR count
201: ok 14980 # ring membership passed
201: ok 14981 # correct SSSR count
201: ok 14982 # ring membership passed
201: ok 14983 # correct ring bond data
201: ok 14984 # correct ring bond data
201: ok 14985 # correct ring bond data
201: ok 14986 # correct ring bond data
201: ok 14987 # correct ring bond data
201: ok 14988 # correct ring bond data
201: ok 14989 # SSSR size matches reference
201: ok 14990 # correct SSSR count
201: ok 14991 # ring membership passed
201: ok 14992 # correct SSSR count
201: ok 14993 # ring membership passed
201: ok 14994 # correct SSSR count
201: ok 14995 # ring membership passed
201: ok 14996 # correct SSSR count
201: ok 14997 # ring membership passed
201: ok 14998 # correct SSSR count
201: ok 14999 # ring membership passed
201: ok 15000 # correct SSSR count
201: ok 15001 # ring membership passed
201: ok 15002 # correct ring bond data
201: ok 15003 # correct ring bond data
201: ok 15004 # correct ring bond data
201: ok 15005 # correct ring bond data
201: ok 15006 # correct ring bond data
201: ok 15007 # correct ring bond data
201: ok 15008 # SSSR size matches reference
201: ok 15009 # correct SSSR count
201: ok 15010 # ring membership passed
201: ok 15011 # correct SSSR count
201: ok 15012 # ring membership passed
201: ok 15013 # correct SSSR count
201: ok 15014 # ring membership passed
201: ok 15015 # correct SSSR count
201: ok 15016 # ring membership passed
201: ok 15017 # correct SSSR count
201: ok 15018 # ring membership passed
201: ok 15019 # correct SSSR count
201: ok 15020 # ring membership passed
201: ok 15021 # correct ring bond data
201: ok 15022 # correct ring bond data
201: ok 15023 # correct ring bond data
201: ok 15024 # correct ring bond data
201: ok 15025 # correct ring bond data
201: ok 15026 # SSSR size matches reference
201: ok 15027 # correct SSSR count
201: ok 15028 # ring membership passed
201: ok 15029 # correct SSSR count
201: ok 15030 # ring membership passed
201: ok 15031 # correct SSSR count
201: ok 15032 # ring membership passed
201: ok 15033 # correct SSSR count
201: ok 15034 # ring membership passed
201: ok 15035 # correct SSSR count
201: ok 15036 # ring membership passed
201: ok 15037 # correct ring bond data
201: ok 15038 # correct ring bond data
201: ok 15039 # correct ring bond data
201: ok 15040 # correct ring bond data
201: ok 15041 # correct ring bond data
201: ok 15042 # correct ring bond data
201: ok 15043 # correct ring bond data
201: ok 15044 # correct ring bond data
201: ok 15045 # correct ring bond data
201: ok 15046 # correct ring bond data
201: ok 15047 # correct ring bond data
201: ok 15048 # correct ring bond data
201: ok 15049 # correct ring bond data
201: ok 15050 # correct ring bond data
201: ok 15051 # correct ring bond data
201: ok 15052 # correct ring bond data
201: ok 15053 # correct ring bond data
201: ok 15054 # correct ring bond data
201: ok 15055 # correct ring bond data
201: ok 15056 # correct ring bond data
201: ok 15057 # correct ring bond data
201: ok 15058 # SSSR size matches reference
201: ok 15059 # correct SSSR count
201: ok 15060 # ring membership passed
201: ok 15061 # correct SSSR count
201: ok 15062 # ring membership passed
201: ok 15063 # correct SSSR count
201: ok 15064 # ring membership passed
201: ok 15065 # correct SSSR count
201: ok 15066 # ring membership passed
201: ok 15067 # correct SSSR count
201: ok 15068 # ring membership passed
201: ok 15069 # correct SSSR count
201: ok 15070 # ring membership passed
201: ok 15071 # correct SSSR count
201: ok 15072 # ring membership passed
201: ok 15073 # correct SSSR count
201: ok 15074 # ring membership passed
201: ok 15075 # correct SSSR count
201: ok 15076 # ring membership passed
201: ok 15077 # correct SSSR count
201: ok 15078 # ring membership passed
201: ok 15079 # correct SSSR count
201: ok 15080 # ring membership passed
201: ok 15081 # correct SSSR count
201: ok 15082 # ring membership passed
201: ok 15083 # correct SSSR count
201: ok 15084 # ring membership passed
201: ok 15085 # correct SSSR count
201: ok 15086 # ring membership passed
201: ok 15087 # correct SSSR count
201: ok 15088 # ring membership passed
201: ok 15089 # correct SSSR count
201: ok 15090 # ring membership passed
201: ok 15091 # correct SSSR count
201: ok 15092 # ring membership passed
201: ok 15093 # correct SSSR count
201: ok 15094 # ring membership passed
201: ok 15095 # correct ring bond data
201: ok 15096 # correct ring bond data
201: ok 15097 # correct ring bond data
201: ok 15098 # correct ring bond data
201: ok 15099 # correct ring bond data
201: ok 15100 # correct ring bond data
201: ok 15101 # correct ring bond data
201: ok 15102 # correct ring bond data
201: ok 15103 # correct ring bond data
201: ok 15104 # correct ring bond data
201: ok 15105 # correct ring bond data
201: ok 15106 # correct ring bond data
201: ok 15107 # correct ring bond data
201: ok 15108 # correct ring bond data
201: ok 15109 # correct ring bond data
201: ok 15110 # correct ring bond data
201: ok 15111 # correct ring bond data
201: ok 15112 # correct ring bond data
201: ok 15113 # SSSR size matches reference
201: ok 15114 # correct SSSR count
201: ok 15115 # ring membership passed
201: ok 15116 # correct SSSR count
201: ok 15117 # ring membership passed
201: ok 15118 # correct SSSR count
201: ok 15119 # ring membership passed
201: ok 15120 # correct SSSR count
201: ok 15121 # ring membership passed
201: ok 15122 # correct SSSR count
201: ok 15123 # ring membership passed
201: ok 15124 # correct SSSR count
201: ok 15125 # ring membership passed
201: ok 15126 # correct SSSR count
201: ok 15127 # ring membership passed
201: ok 15128 # correct SSSR count
201: ok 15129 # ring membership passed
201: ok 15130 # correct SSSR count
201: ok 15131 # ring membership passed
201: ok 15132 # correct SSSR count
201: ok 15133 # ring membership passed
201: ok 15134 # correct SSSR count
201: ok 15135 # ring membership passed
201: ok 15136 # correct SSSR count
201: ok 15137 # ring membership passed
201: ok 15138 # correct SSSR count
201: ok 15139 # ring membership passed
201: ok 15140 # correct SSSR count
201: ok 15141 # ring membership passed
201: ok 15142 # correct SSSR count
201: ok 15143 # ring membership passed
201: ok 15144 # correct SSSR count
201: ok 15145 # ring membership passed
201: ok 15146 # correct ring bond data
201: ok 15147 # correct ring bond data
201: ok 15148 # correct ring bond data
201: ok 15149 # correct ring bond data
201: ok 15150 # correct ring bond data
201: ok 15151 # correct ring bond data
201: ok 15152 # correct ring bond data
201: ok 15153 # correct ring bond data
201: ok 15154 # correct ring bond data
201: ok 15155 # correct ring bond data
201: ok 15156 # correct ring bond data
201: ok 15157 # correct ring bond data
201: ok 15158 # correct ring bond data
201: ok 15159 # correct ring bond data
201: ok 15160 # correct ring bond data
201: ok 15161 # correct ring bond data
201: ok 15162 # correct ring bond data
201: ok 15163 # correct ring bond data
201: ok 15164 # correct ring bond data
201: ok 15165 # correct ring bond data
201: ok 15166 # correct ring bond data
201: ok 15167 # correct ring bond data
201: ok 15168 # SSSR size matches reference
201: ok 15169 # correct SSSR count
201: ok 15170 # ring membership passed
201: ok 15171 # correct SSSR count
201: ok 15172 # ring membership passed
201: ok 15173 # correct SSSR count
201: ok 15174 # ring membership passed
201: ok 15175 # correct SSSR count
201: ok 15176 # ring membership passed
201: ok 15177 # correct SSSR count
201: ok 15178 # ring membership passed
201: ok 15179 # correct SSSR count
201: ok 15180 # ring membership passed
201: ok 15181 # correct SSSR count
201: ok 15182 # ring membership passed
201: ok 15183 # correct SSSR count
201: ok 15184 # ring membership passed
201: ok 15185 # correct SSSR count
201: ok 15186 # ring membership passed
201: ok 15187 # correct SSSR count
201: ok 15188 # ring membership passed
201: ok 15189 # correct SSSR count
201: ok 15190 # ring membership passed
201: ok 15191 # correct SSSR count
201: ok 15192 # ring membership passed
201: ok 15193 # correct SSSR count
201: ok 15194 # ring membership passed
201: ok 15195 # correct SSSR count
201: ok 15196 # ring membership passed
201: ok 15197 # correct SSSR count
201: ok 15198 # ring membership passed
201: ok 15199 # correct SSSR count
201: ok 15200 # ring membership passed
201: ok 15201 # correct SSSR count
201: ok 15202 # ring membership passed
201: ok 15203 # correct SSSR count
201: ok 15204 # ring membership passed
201: ok 15205 # correct SSSR count
201: ok 15206 # ring membership passed
201: ok 15207 # correct ring bond data
201: ok 15208 # correct ring bond data
201: ok 15209 # correct ring bond data
201: ok 15210 # correct ring bond data
201: ok 15211 # correct ring bond data
201: ok 15212 # correct ring bond data
201: ok 15213 # correct ring bond data
201: ok 15214 # correct ring bond data
201: ok 15215 # correct ring bond data
201: ok 15216 # correct ring bond data
201: ok 15217 # correct ring bond data
201: ok 15218 # correct ring bond data
201: ok 15219 # correct ring bond data
201: ok 15220 # correct ring bond data
201: ok 15221 # correct ring bond data
201: ok 15222 # correct ring bond data
201: ok 15223 # correct ring bond data
201: ok 15224 # correct ring bond data
201: ok 15225 # correct ring bond data
201: ok 15226 # correct ring bond data
201: ok 15227 # correct ring bond data
201: ok 15228 # correct ring bond data
201: ok 15229 # SSSR size matches reference
201: ok 15230 # correct SSSR count
201: ok 15231 # ring membership passed
201: ok 15232 # correct SSSR count
201: ok 15233 # ring membership passed
201: ok 15234 # correct SSSR count
201: ok 15235 # ring membership passed
201: ok 15236 # correct SSSR count
201: ok 15237 # ring membership passed
201: ok 15238 # correct SSSR count
201: ok 15239 # ring membership passed
201: ok 15240 # correct SSSR count
201: ok 15241 # ring membership passed
201: ok 15242 # correct SSSR count
201: ok 15243 # ring membership passed
201: ok 15244 # correct SSSR count
201: ok 15245 # ring membership passed
201: ok 15246 # correct SSSR count
201: ok 15247 # ring membership passed
201: ok 15248 # correct SSSR count
201: ok 15249 # ring membership passed
201: ok 15250 # correct SSSR count
201: ok 15251 # ring membership passed
201: ok 15252 # correct SSSR count
201: ok 15253 # ring membership passed
201: ok 15254 # correct SSSR count
201: ok 15255 # ring membership passed
201: ok 15256 # correct SSSR count
201: ok 15257 # ring membership passed
201: ok 15258 # correct SSSR count
201: ok 15259 # ring membership passed
201: ok 15260 # correct SSSR count
201: ok 15261 # ring membership passed
201: ok 15262 # correct SSSR count
201: ok 15263 # ring membership passed
201: ok 15264 # correct SSSR count
201: ok 15265 # ring membership passed
201: ok 15266 # correct SSSR count
201: ok 15267 # ring membership passed
201: ok 15268 # correct ring bond data
201: ok 15269 # correct ring bond data
201: ok 15270 # correct ring bond data
201: ok 15271 # correct ring bond data
201: ok 15272 # correct ring bond data
201: ok 15273 # correct ring bond data
201: ok 15274 # correct ring bond data
201: ok 15275 # correct ring bond data
201: ok 15276 # correct ring bond data
201: ok 15277 # correct ring bond data
201: ok 15278 # correct ring bond data
201: ok 15279 # correct ring bond data
201: ok 15280 # correct ring bond data
201: ok 15281 # correct ring bond data
201: ok 15282 # correct ring bond data
201: ok 15283 # correct ring bond data
201: ok 15284 # correct ring bond data
201: ok 15285 # correct ring bond data
201: ok 15286 # correct ring bond data
201: ok 15287 # correct ring bond data
201: ok 15288 # correct ring bond data
201: ok 15289 # SSSR size matches reference
201: ok 15290 # correct SSSR count
201: ok 15291 # ring membership passed
201: ok 15292 # correct SSSR count
201: ok 15293 # ring membership passed
201: ok 15294 # correct SSSR count
201: ok 15295 # ring membership passed
201: ok 15296 # correct SSSR count
201: ok 15297 # ring membership passed
201: ok 15298 # correct SSSR count
201: ok 15299 # ring membership passed
201: ok 15300 # correct SSSR count
201: ok 15301 # ring membership passed
201: ok 15302 # correct SSSR count
201: ok 15303 # ring membership passed
201: ok 15304 # correct SSSR count
201: ok 15305 # ring membership passed
201: ok 15306 # correct SSSR count
201: ok 15307 # ring membership passed
201: ok 15308 # correct SSSR count
201: ok 15309 # ring membership passed
201: ok 15310 # correct SSSR count
201: ok 15311 # ring membership passed
201: ok 15312 # correct SSSR count
201: ok 15313 # ring membership passed
201: ok 15314 # correct SSSR count
201: ok 15315 # ring membership passed
201: ok 15316 # correct SSSR count
201: ok 15317 # ring membership passed
201: ok 15318 # correct SSSR count
201: ok 15319 # ring membership passed
201: ok 15320 # correct SSSR count
201: ok 15321 # ring membership passed
201: ok 15322 # correct SSSR count
201: ok 15323 # ring membership passed
201: ok 15324 # correct SSSR count
201: ok 15325 # ring membership passed
201: ok 15326 # correct ring bond data
201: ok 15327 # correct ring bond data
201: ok 15328 # correct ring bond data
201: ok 15329 # correct ring bond data
201: ok 15330 # correct ring bond data
201: ok 15331 # correct ring bond data
201: ok 15332 # correct ring bond data
201: ok 15333 # correct ring bond data
201: ok 15334 # correct ring bond data
201: ok 15335 # correct ring bond data
201: ok 15336 # correct ring bond data
201: ok 15337 # correct ring bond data
201: ok 15338 # correct ring bond data
201: ok 15339 # correct ring bond data
201: ok 15340 # correct ring bond data
201: ok 15341 # correct ring bond data
201: ok 15342 # correct ring bond data
201: ok 15343 # correct ring bond data
201: ok 15344 # SSSR size matches reference
201: ok 15345 # correct SSSR count
201: ok 15346 # ring membership passed
201: ok 15347 # correct SSSR count
201: ok 15348 # ring membership passed
201: ok 15349 # correct SSSR count
201: ok 15350 # ring membership passed
201: ok 15351 # correct SSSR count
201: ok 15352 # ring membership passed
201: ok 15353 # correct SSSR count
201: ok 15354 # ring membership passed
201: ok 15355 # correct SSSR count
201: ok 15356 # ring membership passed
201: ok 15357 # correct SSSR count
201: ok 15358 # ring membership passed
201: ok 15359 # correct SSSR count
201: ok 15360 # ring membership passed
201: ok 15361 # correct SSSR count
201: ok 15362 # ring membership passed
201: ok 15363 # correct SSSR count
201: ok 15364 # ring membership passed
201: ok 15365 # correct SSSR count
201: ok 15366 # ring membership passed
201: ok 15367 # correct SSSR count
201: ok 15368 # ring membership passed
201: ok 15369 # correct SSSR count
201: ok 15370 # ring membership passed
201: ok 15371 # correct SSSR count
201: ok 15372 # ring membership passed
201: ok 15373 # correct SSSR count
201: ok 15374 # ring membership passed
201: ok 15375 # correct SSSR count
201: ok 15376 # ring membership passed
201: ok 15377 # correct ring bond data
201: ok 15378 # correct ring bond data
201: ok 15379 # correct ring bond data
201: ok 15380 # correct ring bond data
201: ok 15381 # correct ring bond data
201: ok 15382 # correct ring bond data
201: ok 15383 # correct ring bond data
201: ok 15384 # correct ring bond data
201: ok 15385 # correct ring bond data
201: ok 15386 # correct ring bond data
201: ok 15387 # correct ring bond data
201: ok 15388 # correct ring bond data
201: ok 15389 # correct ring bond data
201: ok 15390 # correct ring bond data
201: ok 15391 # correct ring bond data
201: ok 15392 # correct ring bond data
201: ok 15393 # SSSR size matches reference
201: ok 15394 # correct SSSR count
201: ok 15395 # ring membership passed
201: ok 15396 # correct SSSR count
201: ok 15397 # ring membership passed
201: ok 15398 # correct SSSR count
201: ok 15399 # ring membership passed
201: ok 15400 # correct SSSR count
201: ok 15401 # ring membership passed
201: ok 15402 # correct SSSR count
201: ok 15403 # ring membership passed
201: ok 15404 # correct SSSR count
201: ok 15405 # ring membership passed
201: ok 15406 # correct SSSR count
201: ok 15407 # ring membership passed
201: ok 15408 # correct SSSR count
201: ok 15409 # ring membership passed
201: ok 15410 # correct SSSR count
201: ok 15411 # ring membership passed
201: ok 15412 # correct SSSR count
201: ok 15413 # ring membership passed
201: ok 15414 # correct SSSR count
201: ok 15415 # ring membership passed
201: ok 15416 # correct SSSR count
201: ok 15417 # ring membership passed
201: ok 15418 # correct SSSR count
201: ok 15419 # ring membership passed
201: ok 15420 # correct SSSR count
201: ok 15421 # ring membership passed
201: ok 15422 # correct SSSR count
201: ok 15423 # ring membership passed
201: ok 15424 # correct ring bond data
201: ok 15425 # correct ring bond data
201: ok 15426 # correct ring bond data
201: ok 15427 # correct ring bond data
201: ok 15428 # correct ring bond data
201: ok 15429 # correct ring bond data
201: ok 15430 # correct ring bond data
201: ok 15431 # correct ring bond data
201: ok 15432 # correct ring bond data
201: ok 15433 # correct ring bond data
201: ok 15434 # correct ring bond data
201: ok 15435 # correct ring bond data
201: ok 15436 # correct ring bond data
201: ok 15437 # correct ring bond data
201: ok 15438 # correct ring bond data
201: ok 15439 # correct ring bond data
201: ok 15440 # correct ring bond data
201: ok 15441 # correct ring bond data
201: ok 15442 # correct ring bond data
201: ok 15443 # SSSR size matches reference
201: ok 15444 # correct SSSR count
201: ok 15445 # ring membership passed
201: ok 15446 # correct SSSR count
201: ok 15447 # ring membership passed
201: ok 15448 # correct SSSR count
201: ok 15449 # ring membership passed
201: ok 15450 # correct SSSR count
201: ok 15451 # ring membership passed
201: ok 15452 # correct SSSR count
201: ok 15453 # ring membership passed
201: ok 15454 # correct SSSR count
201: ok 15455 # ring membership passed
201: ok 15456 # correct SSSR count
201: ok 15457 # ring membership passed
201: ok 15458 # correct SSSR count
201: ok 15459 # ring membership passed
201: ok 15460 # correct SSSR count
201: ok 15461 # ring membership passed
201: ok 15462 # correct SSSR count
201: ok 15463 # ring membership passed
201: ok 15464 # correct SSSR count
201: ok 15465 # ring membership passed
201: ok 15466 # correct SSSR count
201: ok 15467 # ring membership passed
201: ok 15468 # correct SSSR count
201: ok 15469 # ring membership passed
201: ok 15470 # correct SSSR count
201: ok 15471 # ring membership passed
201: ok 15472 # correct SSSR count
201: ok 15473 # ring membership passed
201: ok 15474 # correct SSSR count
201: ok 15475 # ring membership passed
201: ok 15476 # correct SSSR count
201: ok 15477 # ring membership passed
201: ok 15478 # correct ring bond data
201: ok 15479 # correct ring bond data
201: ok 15480 # correct ring bond data
201: ok 15481 # correct ring bond data
201: ok 15482 # correct ring bond data
201: ok 15483 # correct ring bond data
201: ok 15484 # correct ring bond data
201: ok 15485 # correct ring bond data
201: ok 15486 # correct ring bond data
201: ok 15487 # correct ring bond data
201: ok 15488 # correct ring bond data
201: ok 15489 # correct ring bond data
201: ok 15490 # SSSR size matches reference
201: ok 15491 # correct SSSR count
201: ok 15492 # ring membership passed
201: ok 15493 # correct SSSR count
201: ok 15494 # ring membership passed
201: ok 15495 # correct SSSR count
201: ok 15496 # ring membership passed
201: ok 15497 # correct SSSR count
201: ok 15498 # ring membership passed
201: ok 15499 # correct SSSR count
201: ok 15500 # ring membership passed
201: ok 15501 # correct SSSR count
201: ok 15502 # ring membership passed
201: ok 15503 # correct SSSR count
201: ok 15504 # ring membership passed
201: ok 15505 # correct SSSR count
201: ok 15506 # ring membership passed
201: ok 15507 # correct SSSR count
201: ok 15508 # ring membership passed
201: ok 15509 # correct SSSR count
201: ok 15510 # ring membership passed
201: ok 15511 # correct SSSR count
201: ok 15512 # ring membership passed
201: ok 15513 # correct ring bond data
201: ok 15514 # correct ring bond data
201: ok 15515 # correct ring bond data
201: ok 15516 # correct ring bond data
201: ok 15517 # correct ring bond data
201: ok 15518 # correct ring bond data
201: ok 15519 # correct ring bond data
201: ok 15520 # correct ring bond data
201: ok 15521 # correct ring bond data
201: ok 15522 # correct ring bond data
201: ok 15523 # correct ring bond data
201: ok 15524 # correct ring bond data
201: ok 15525 # correct ring bond data
201: ok 15526 # correct ring bond data
201: ok 15527 # correct ring bond data
201: ok 15528 # correct ring bond data
201: ok 15529 # correct ring bond data
201: ok 15530 # correct ring bond data
201: ok 15531 # correct ring bond data
201: ok 15532 # correct ring bond data
201: ok 15533 # correct ring bond data
201: ok 15534 # correct ring bond data
201: ok 15535 # SSSR size matches reference
201: ok 15536 # correct SSSR count
201: ok 15537 # ring membership passed
201: ok 15538 # correct SSSR count
201: ok 15539 # ring membership passed
201: ok 15540 # correct SSSR count
201: ok 15541 # ring membership passed
201: ok 15542 # correct SSSR count
201: ok 15543 # ring membership passed
201: ok 15544 # correct SSSR count
201: ok 15545 # ring membership passed
201: ok 15546 # correct SSSR count
201: ok 15547 # ring membership passed
201: ok 15548 # correct SSSR count
201: ok 15549 # ring membership passed
201: ok 15550 # correct SSSR count
201: ok 15551 # ring membership passed
201: ok 15552 # correct SSSR count
201: ok 15553 # ring membership passed
201: ok 15554 # correct SSSR count
201: ok 15555 # ring membership passed
201: ok 15556 # correct SSSR count
201: ok 15557 # ring membership passed
201: ok 15558 # correct SSSR count
201: ok 15559 # ring membership passed
201: ok 15560 # correct SSSR count
201: ok 15561 # ring membership passed
201: ok 15562 # correct SSSR count
201: ok 15563 # ring membership passed
201: ok 15564 # correct SSSR count
201: ok 15565 # ring membership passed
201: ok 15566 # correct SSSR count
201: ok 15567 # ring membership passed
201: ok 15568 # correct SSSR count
201: ok 15569 # ring membership passed
201: ok 15570 # correct SSSR count
201: ok 15571 # ring membership passed
201: ok 15572 # correct SSSR count
201: ok 15573 # ring membership passed
201: ok 15574 # correct ring bond data
201: ok 15575 # correct ring bond data
201: ok 15576 # correct ring bond data
201: ok 15577 # correct ring bond data
201: ok 15578 # correct ring bond data
201: ok 15579 # correct ring bond data
201: ok 15580 # correct ring bond data
201: ok 15581 # correct ring bond data
201: ok 15582 # correct ring bond data
201: ok 15583 # correct ring bond data
201: ok 15584 # correct ring bond data
201: ok 15585 # correct ring bond data
201: ok 15586 # correct ring bond data
201: ok 15587 # correct ring bond data
201: ok 15588 # correct ring bond data
201: ok 15589 # correct ring bond data
201: ok 15590 # correct ring bond data
201: ok 15591 # correct ring bond data
201: ok 15592 # correct ring bond data
201: ok 15593 # correct ring bond data
201: ok 15594 # SSSR size matches reference
201: ok 15595 # correct SSSR count
201: ok 15596 # ring membership passed
201: ok 15597 # correct SSSR count
201: ok 15598 # ring membership passed
201: ok 15599 # correct SSSR count
201: ok 15600 # ring membership passed
201: ok 15601 # correct SSSR count
201: ok 15602 # ring membership passed
201: ok 15603 # correct SSSR count
201: ok 15604 # ring membership passed
201: ok 15605 # correct SSSR count
201: ok 15606 # ring membership passed
201: ok 15607 # correct SSSR count
201: ok 15608 # ring membership passed
201: ok 15609 # correct SSSR count
201: ok 15610 # ring membership passed
201: ok 15611 # correct SSSR count
201: ok 15612 # ring membership passed
201: ok 15613 # correct SSSR count
201: ok 15614 # ring membership passed
201: ok 15615 # correct SSSR count
201: ok 15616 # ring membership passed
201: ok 15617 # correct SSSR count
201: ok 15618 # ring membership passed
201: ok 15619 # correct SSSR count
201: ok 15620 # ring membership passed
201: ok 15621 # correct SSSR count
201: ok 15622 # ring membership passed
201: ok 15623 # correct SSSR count
201: ok 15624 # ring membership passed
201: ok 15625 # correct SSSR count
201: ok 15626 # ring membership passed
201: ok 15627 # correct SSSR count
201: ok 15628 # ring membership passed
201: ok 15629 # correct SSSR count
201: ok 15630 # ring membership passed
201: ok 15631 # correct SSSR count
201: ok 15632 # ring membership passed
201: ok 15633 # correct ring bond data
201: ok 15634 # correct ring bond data
201: ok 15635 # correct ring bond data
201: ok 15636 # correct ring bond data
201: ok 15637 # correct ring bond data
201: ok 15638 # correct ring bond data
201: ok 15639 # SSSR size matches reference
201: ok 15640 # correct SSSR count
201: ok 15641 # ring membership passed
201: ok 15642 # correct SSSR count
201: ok 15643 # ring membership passed
201: ok 15644 # correct SSSR count
201: ok 15645 # ring membership passed
201: ok 15646 # correct SSSR count
201: ok 15647 # ring membership passed
201: ok 15648 # correct SSSR count
201: ok 15649 # ring membership passed
201: ok 15650 # correct SSSR count
201: ok 15651 # ring membership passed
201: ok 15652 # correct SSSR count
201: ok 15653 # ring membership passed
201: ok 15654 # correct ring bond data
201: ok 15655 # correct ring bond data
201: ok 15656 # correct ring bond data
201: ok 15657 # correct ring bond data
201: ok 15658 # correct ring bond data
201: ok 15659 # correct ring bond data
201: ok 15660 # SSSR size matches reference
201: ok 15661 # correct SSSR count
201: ok 15662 # ring membership passed
201: ok 15663 # correct SSSR count
201: ok 15664 # ring membership passed
201: ok 15665 # correct SSSR count
201: ok 15666 # ring membership passed
201: ok 15667 # correct SSSR count
201: ok 15668 # ring membership passed
201: ok 15669 # correct SSSR count
201: ok 15670 # ring membership passed
201: ok 15671 # correct SSSR count
201: ok 15672 # ring membership passed
201: ok 15673 # correct SSSR count
201: ok 15674 # ring membership passed
201: ok 15675 # correct ring bond data
201: ok 15676 # correct ring bond data
201: ok 15677 # SSSR size matches reference
201: ok 15678 # correct SSSR count
201: ok 15679 # ring membership passed
201: ok 15680 # correct SSSR count
201: ok 15681 # ring membership passed
201: ok 15682 # correct SSSR count
201: ok 15683 # ring membership passed
201: 1..15683
204: # Testing SMILES self-matching using SMARTS...  
204: ok 1 # SMARTS matched the SMILES molecule
204: ok 2 # SMARTS matched the SMILES molecule
204: ok 3 # SMARTS matched the SMILES molecule
204: ok 4 # SMARTS matched the SMILES molecule
204: ok 5 # SMARTS matched the SMILES molecule
204: ok 6 # SMARTS matched the SMILES molecule
204: ok 7 # SMARTS matched the SMILES molecule
204: ok 8 # SMARTS matched the SMILES molecule
204: ok 9 # SMARTS matched the SMILES molecule
204: ok 10 # SMARTS matched the SMILES molecule
204: ok 11 # SMARTS matched the SMILES molecule
204: ok 12 # SMARTS matched the SMILES molecule
204: ok 13 # SMARTS matched the SMILES molecule
204: ok 14 # SMARTS matched the SMILES molecule
204: ok 15 # SMARTS matched the SMILES molecule
204: ok 16 # SMARTS matched the SMILES molecule
204: ok 17 # SMARTS matched the SMILES molecule
204: ok 18 # SMARTS matched the SMILES molecule
204: ok 19 # SMARTS matched the SMILES molecule
204: ok 20 # SMARTS matched the SMILES molecule
204: ok 21 # SMARTS matched the SMILES molecule
204: ok 22 # SMARTS matched the SMILES molecule
204: ok 23 # SMARTS matched the SMILES molecule
204: ok 24 # SMARTS matched the SMILES molecule
204: ok 25 # SMARTS matched the SMILES molecule
204: ok 26 # SMARTS matched the SMILES molecule
204: ok 27 # SMARTS matched the SMILES molecule
204: ok 28 # SMARTS matched the SMILES molecule
204: ok 29 # SMARTS matched the SMILES molecule
204: ok 30 # SMARTS matched the SMILES molecule
204: ok 31 # SMARTS matched the SMILES molecule
204: ok 32 # SMARTS matched the SMILES molecule
204: ok 33 # SMARTS matched the SMILES molecule
204: ok 34 # SMARTS matched the SMILES molecule
204: ok 35 # SMARTS matched the SMILES molecule
204: ok 36 # SMARTS matched the SMILES molecule
204: ok 37 # SMARTS matched the SMILES molecule
204: ok 38 # SMARTS matched the SMILES molecule
204: ok 39 # SMARTS matched the SMILES molecule
204: ok 40 # SMARTS matched the SMILES molecule
204: ok 41 # SMARTS matched the SMILES molecule
204: ok 42 # SMARTS matched the SMILES molecule
204: ok 43 # SMARTS matched the SMILES molecule
204: ok 44 # SMARTS matched the SMILES molecule
204: ok 45 # SMARTS matched the SMILES molecule
204: ok 46 # SMARTS matched the SMILES molecule
204: ok 47 # SMARTS matched the SMILES molecule
204: ok 48 # SMARTS matched the SMILES molecule
204: ok 49 # SMARTS matched the SMILES molecule
204: ok 50 # SMARTS matched the SMILES molecule
204: ok 51 # SMARTS matched the SMILES molecule
204: ok 52 # SMARTS matched the SMILES molecule
204: ok 53 # SMARTS matched the SMILES molecule
204: ok 54 # SMARTS matched the SMILES molecule
204: ok 55 # SMARTS matched the SMILES molecule
204: ok 56 # SMARTS matched the SMILES molecule
204: ok 57 # SMARTS matched the SMILES molecule
204: ok 58 # SMARTS matched the SMILES molecule
204: ok 59 # SMARTS matched the SMILES molecule
204: ok 60 # SMARTS matched the SMILES molecule
204: ok 61 # SMARTS matched the SMILES molecule
204: ok 62 # SMARTS matched the SMILES molecule
204: ok 63 # SMARTS matched the SMILES molecule
204: ok 64 # SMARTS matched the SMILES molecule
204: ok 65 # SMARTS matched the SMILES molecule
204: ok 66 # SMARTS matched the SMILES molecule
204: ok 67 # SMARTS matched the SMILES molecule
204: ok 68 # SMARTS matched the SMILES molecule
204: ok 69 # SMARTS matched the SMILES molecule
204: ok 70 # SMARTS matched the SMILES molecule
204: ok 71 # SMARTS matched the SMILES molecule
204: ok 72 # SMARTS matched the SMILES molecule
204: ok 73 # SMARTS matched the SMILES molecule
204: ok 74 # SMARTS matched the SMILES molecule
204: ok 75 # SMARTS matched the SMILES molecule
204: ok 76 # SMARTS matched the SMILES molecule
204: ok 77 # SMARTS matched the SMILES molecule
204: ok 78 # SMARTS matched the SMILES molecule
204: ok 79 # SMARTS matched the SMILES molecule
204: ok 80 # SMARTS matched the SMILES molecule
204: ok 81 # SMARTS matched the SMILES molecule
204: ok 82 # SMARTS matched the SMILES molecule
204: ok 83 # SMARTS matched the SMILES molecule
204: ok 84 # SMARTS matched the SMILES molecule
204: ok 85 # SMARTS matched the SMILES molecule
204: ok 86 # SMARTS matched the SMILES molecule
204: ok 87 # SMARTS matched the SMILES molecule
204: ok 88 # SMARTS matched the SMILES molecule
204: ok 89 # SMARTS matched the SMILES molecule
204: ok 90 # SMARTS matched the SMILES molecule
204: ok 91 # SMARTS matched the SMILES molecule
204: ok 92 # SMARTS matched the SMILES molecule
204: ok 93 # SMARTS matched the SMILES molecule
204: ok 94 # SMARTS matched the SMILES molecule
204: ok 95 # SMARTS matched the SMILES molecule
204: ok 96 # SMARTS matched the SMILES molecule
204: ok 97 # SMARTS matched the SMILES molecule
204: ok 98 # SMARTS matched the SMILES molecule
204: ok 99 # SMARTS matched the SMILES molecule
204: ok 100 # SMARTS matched the SMILES molecule
204: ok 101 # SMARTS matched the SMILES molecule
204: ok 102 # SMARTS matched the SMILES molecule
204: ok 103 # SMARTS matched the SMILES molecule
204: ok 104 # SMARTS matched the SMILES molecule
204: ok 105 # SMARTS matched the SMILES molecule
204: ok 106 # SMARTS matched the SMILES molecule
204: ok 107 # SMARTS matched the SMILES molecule
204: ok 108 # SMARTS matched the SMILES molecule
204: ok 109 # SMARTS matched the SMILES molecule
204: ok 110 # SMARTS matched the SMILES molecule
204: ok 111 # SMARTS matched the SMILES molecule
204: ok 112 # SMARTS matched the SMILES molecule
204: ok 113 # SMARTS matched the SMILES molecule
204: ok 114 # SMARTS matched the SMILES molecule
204: ok 115 # SMARTS matched the SMILES molecule
204: ok 116 # SMARTS matched the SMILES molecule
204: ok 117 # SMARTS matched the SMILES molecule
204: ok 118 # SMARTS matched the SMILES molecule
204: ok 119 # SMARTS matched the SMILES molecule
204: ok 120 # SMARTS matched the SMILES molecule
204: ok 121 # SMARTS matched the SMILES molecule
204: ok 122 # SMARTS matched the SMILES molecule
204: ok 123 # SMARTS matched the SMILES molecule
204: ok 124 # SMARTS matched the SMILES molecule
204: ok 125 # SMARTS matched the SMILES molecule
204: ok 126 # SMARTS matched the SMILES molecule
204: ok 127 # SMARTS matched the SMILES molecule
204: ok 128 # SMARTS matched the SMILES molecule
204: ok 129 # SMARTS matched the SMILES molecule
204: ok 130 # SMARTS matched the SMILES molecule
204: ok 131 # SMARTS matched the SMILES molecule
204: ok 132 # SMARTS matched the SMILES molecule
204: ok 133 # SMARTS matched the SMILES molecule
204: ok 134 # SMARTS matched the SMILES molecule
204: ok 135 # SMARTS matched the SMILES molecule
204: ok 136 # SMARTS matched the SMILES molecule
204: ok 137 # SMARTS matched the SMILES molecule
204: ok 138 # SMARTS matched the SMILES molecule
204: ok 139 # SMARTS matched the SMILES molecule
204: ok 140 # SMARTS matched the SMILES molecule
204: ok 141 # SMARTS matched the SMILES molecule
204: ok 142 # SMARTS matched the SMILES molecule
204: ok 143 # SMARTS matched the SMILES molecule
204: ok 144 # SMARTS matched the SMILES molecule
204: ok 145 # SMARTS matched the SMILES molecule
204: ok 146 # SMARTS matched the SMILES molecule
204: ok 147 # SMARTS matched the SMILES molecule
204: ok 148 # SMARTS matched the SMILES molecule
204: ok 149 # SMARTS matched the SMILES molecule
204: ok 150 # SMARTS matched the SMILES molecule
204: ok 151 # SMARTS matched the SMILES molecule
204: ok 152 # SMARTS matched the SMILES molecule
204: ok 153 # SMARTS matched the SMILES molecule
204: ok 154 # SMARTS matched the SMILES molecule
204: ok 155 # SMARTS matched the SMILES molecule
204: ok 156 # SMARTS matched the SMILES molecule
204: ok 157 # SMARTS matched the SMILES molecule
204: ok 158 # SMARTS matched the SMILES molecule
204: ok 159 # SMARTS matched the SMILES molecule
204: ok 160 # SMARTS matched the SMILES molecule
204: ok 161 # SMARTS matched the SMILES molecule
204: ok 162 # SMARTS matched the SMILES molecule
204: ok 163 # SMARTS matched the SMILES molecule
204: ok 164 # SMARTS matched the SMILES molecule
204: ok 165 # SMARTS matched the SMILES molecule
204: ok 166 # SMARTS matched the SMILES molecule
204: ok 167 # SMARTS matched the SMILES molecule
204: ok 168 # SMARTS matched the SMILES molecule
204: ok 169 # SMARTS matched the SMILES molecule
204: ok 170 # SMARTS matched the SMILES molecule
204: ok 171 # SMARTS matched the SMILES molecule
204: ok 172 # SMARTS matched the SMILES molecule
204: ok 173 # SMARTS matched the SMILES molecule
204: ok 174 # SMARTS matched the SMILES molecule
204: ok 175 # SMARTS matched the SMILES molecule
204: ok 176 # SMARTS matched the SMILES molecule
204: ok 177 # SMARTS matched the SMILES molecule
204: ok 178 # SMARTS matched the SMILES molecule
204: ok 179 # SMARTS matched the SMILES molecule
204: ok 180 # SMARTS matched the SMILES molecule
204: ok 181 # SMARTS matched the SMILES molecule
204: ok 182 # SMARTS matched the SMILES molecule
204: ok 183 # SMARTS matched the SMILES molecule
204: ok 184 # SMARTS matched the SMILES molecule
204: ok 185 # SMARTS matched the SMILES molecule
204: ok 186 # SMARTS matched the SMILES molecule
204: ok 187 # SMARTS matched the SMILES molecule
204: ok 188 # SMARTS matched the SMILES molecule
204: ok 189 # SMARTS matched the SMILES molecule
204: ok 190 # SMARTS matched the SMILES molecule
204: ok 191 # SMARTS matched the SMILES molecule
204: ok 192 # SMARTS matched the SMILES molecule
204: ok 193 # SMARTS matched the SMILES molecule
204: ok 194 # SMARTS matched the SMILES molecule
204: ok 195 # SMARTS matched the SMILES molecule
204: ok 196 # SMARTS matched the SMILES molecule
204: ok 197 # SMARTS matched the SMILES molecule
204: ok 198 # SMARTS matched the SMILES molecule
204: ok 199 # SMARTS matched the SMILES molecule
204: ok 200 # SMARTS matched the SMILES molecule
204: ok 201 # SMARTS matched the SMILES molecule
204: ok 202 # SMARTS matched the SMILES molecule
204: ok 203 # SMARTS matched the SMILES molecule
204: ok 204 # SMARTS matched the SMILES molecule
204: ok 205 # SMARTS matched the SMILES molecule
204: ok 206 # SMARTS matched the SMILES molecule
204: ok 207 # SMARTS matched the SMILES molecule
204: ok 208 # SMARTS matched the SMILES molecule
204: ok 209 # SMARTS matched the SMILES molecule
204: ok 210 # SMARTS matched the SMILES molecule
204: ok 211 # SMARTS matched the SMILES molecule
204: ok 212 # SMARTS matched the SMILES molecule
204: ok 213 # SMARTS matched the SMILES molecule
204: ok 214 # SMARTS matched the SMILES molecule
204: ok 215 # SMARTS matched the SMILES molecule
204: ok 216 # SMARTS matched the SMILES molecule
204: ok 217 # SMARTS matched the SMILES molecule
204: ok 218 # SMARTS matched the SMILES molecule
204: ok 219 # SMARTS matched the SMILES molecule
204: ok 220 # SMARTS matched the SMILES molecule
204: ok 221 # SMARTS matched the SMILES molecule
204: ok 222 # SMARTS matched the SMILES molecule
204: ok 223 # SMARTS matched the SMILES molecule
204: ok 224 # SMARTS matched the SMILES molecule
204: ok 225 # SMARTS matched the SMILES molecule
204: ok 226 # SMARTS matched the SMILES molecule
204: ok 227 # SMARTS matched the SMILES molecule
204: ok 228 # SMARTS matched the SMILES molecule
204: ok 229 # SMARTS matched the SMILES molecule
204: ok 230 # SMARTS matched the SMILES molecule
204: ok 231 # SMARTS matched the SMILES molecule
204: ok 232 # SMARTS matched the SMILES molecule
204: ok 233 # SMARTS matched the SMILES molecule
204: ok 234 # SMARTS matched the SMILES molecule
204: ok 235 # SMARTS matched the SMILES molecule
204: ok 236 # SMARTS matched the SMILES molecule
204: ok 237 # SMARTS matched the SMILES molecule
204: ok 238 # SMARTS matched the SMILES molecule
204: ok 239 # SMARTS matched the SMILES molecule
204: ok 240 # SMARTS matched the SMILES molecule
204: ok 241 # SMARTS matched the SMILES molecule
204: ok 242 # SMARTS matched the SMILES molecule
204: ok 243 # SMARTS matched the SMILES molecule
204: ok 244 # SMARTS matched the SMILES molecule
204: ok 245 # SMARTS matched the SMILES molecule
204: ok 246 # SMARTS matched the SMILES molecule
204: ok 247 # SMARTS matched the SMILES molecule
204: ok 248 # SMARTS matched the SMILES molecule
204: ok 249 # SMARTS matched the SMILES molecule
204: ok 250 # SMARTS matched the SMILES molecule
204: ok 251 # SMARTS matched the SMILES molecule
204: ok 252 # SMARTS matched the SMILES molecule
204: ok 253 # SMARTS matched the SMILES molecule
204: ok 254 # SMARTS matched the SMILES molecule
204: ok 255 # SMARTS matched the SMILES molecule
204: ok 256 # SMARTS matched the SMILES molecule
204: ok 257 # SMARTS matched the SMILES molecule
204: ok 258 # SMARTS matched the SMILES molecule
204: ok 259 # SMARTS matched the SMILES molecule
204: ok 260 # SMARTS matched the SMILES molecule
204: ok 261 # SMARTS matched the SMILES molecule
204: ok 262 # SMARTS matched the SMILES molecule
204: ok 263 # SMARTS matched the SMILES molecule
204: ok 264 # SMARTS matched the SMILES molecule
204: ok 265 # SMARTS matched the SMILES molecule
204: ok 266 # SMARTS matched the SMILES molecule
204: ok 267 # SMARTS matched the SMILES molecule
204: ok 268 # SMARTS matched the SMILES molecule
204: ok 269 # SMARTS matched the SMILES molecule
204: ok 270 # SMARTS matched the SMILES molecule
204: ok 271 # SMARTS matched the SMILES molecule
204: ok 272 # SMARTS matched the SMILES molecule
204: ok 273 # SMARTS matched the SMILES molecule
204: ok 274 # SMARTS matched the SMILES molecule
204: ok 275 # SMARTS matched the SMILES molecule
204: ok 276 # SMARTS matched the SMILES molecule
204: ok 277 # SMARTS matched the SMILES molecule
204: ok 278 # SMARTS matched the SMILES molecule
204: ok 279 # SMARTS matched the SMILES molecule
204: ok 280 # SMARTS matched the SMILES molecule
204: ok 281 # SMARTS matched the SMILES molecule
204: ok 282 # SMARTS matched the SMILES molecule
204: ok 283 # SMARTS matched the SMILES molecule
204: ok 284 # SMARTS matched the SMILES molecule
204: ok 285 # SMARTS matched the SMILES molecule
204: ok 286 # SMARTS matched the SMILES molecule
204: ok 287 # SMARTS matched the SMILES molecule
204: ok 288 # SMARTS matched the SMILES molecule
204: ok 289 # SMARTS matched the SMILES molecule
204: ok 290 # SMARTS matched the SMILES molecule
204: ok 291 # SMARTS matched the SMILES molecule
204: ok 292 # SMARTS matched the SMILES molecule
204: ok 293 # SMARTS matched the SMILES molecule
204: ok 294 # SMARTS matched the SMILES molecule
204: ok 295 # SMARTS matched the SMILES molecule
204: ok 296 # SMARTS matched the SMILES molecule
204: ok 297 # SMARTS matched the SMILES molecule
204: ok 298 # SMARTS matched the SMILES molecule
204: ok 299 # SMARTS matched the SMILES molecule
204: ok 300 # SMARTS matched the SMILES molecule
204: ok 301 # SMARTS matched the SMILES molecule
204: ok 302 # SMARTS matched the SMILES molecule
204: ok 303 # SMARTS matched the SMILES molecule
204: ok 304 # SMARTS matched the SMILES molecule
204: ok 305 # SMARTS matched the SMILES molecule
204: ok 306 # SMARTS matched the SMILES molecule
204: ok 307 # SMARTS matched the SMILES molecule
204: ok 308 # SMARTS matched the SMILES molecule
204: ok 309 # SMARTS matched the SMILES molecule
204: ok 310 # SMARTS matched the SMILES molecule
204: ok 311 # SMARTS matched the SMILES molecule
204: ok 312 # SMARTS matched the SMILES molecule
204: ok 313 # SMARTS matched the SMILES molecule
204: ok 314 # SMARTS matched the SMILES molecule
204: ok 315 # SMARTS matched the SMILES molecule
204: ok 316 # SMARTS matched the SMILES molecule
204: ok 317 # SMARTS matched the SMILES molecule
204: ok 318 # SMARTS matched the SMILES molecule
204: ok 319 # SMARTS matched the SMILES molecule
204: ok 320 # SMARTS matched the SMILES molecule
204: ok 321 # SMARTS matched the SMILES molecule
204: ok 322 # SMARTS matched the SMILES molecule
204: ok 323 # SMARTS matched the SMILES molecule
204: ok 324 # SMARTS matched the SMILES molecule
204: ok 325 # SMARTS matched the SMILES molecule
204: ok 326 # SMARTS matched the SMILES molecule
204: ok 327 # SMARTS matched the SMILES molecule
204: ok 328 # SMARTS matched the SMILES molecule
204: ok 329 # SMARTS matched the SMILES molecule
204: ok 330 # SMARTS matched the SMILES molecule
204: ok 331 # SMARTS matched the SMILES molecule
204: ok 332 # SMARTS matched the SMILES molecule
204: ok 333 # SMARTS matched the SMILES molecule
204: ok 334 # SMARTS matched the SMILES molecule
204: ok 335 # SMARTS matched the SMILES molecule
204: ok 336 # SMARTS matched the SMILES molecule
204: ok 337 # SMARTS matched the SMILES molecule
204: ok 338 # SMARTS matched the SMILES molecule
204: ok 339 # SMARTS matched the SMILES molecule
204: ok 340 # SMARTS matched the SMILES molecule
204: ok 341 # SMARTS matched the SMILES molecule
204: ok 342 # SMARTS matched the SMILES molecule
204: ok 343 # SMARTS matched the SMILES molecule
204: ok 344 # SMARTS matched the SMILES molecule
204: ok 345 # SMARTS matched the SMILES molecule
204: ok 346 # SMARTS matched the SMILES molecule
204: ok 347 # SMARTS matched the SMILES molecule
204: ok 348 # SMARTS matched the SMILES molecule
204: ok 349 # SMARTS matched the SMILES molecule
204: ok 350 # SMARTS matched the SMILES molecule
204: ok 351 # SMARTS matched the SMILES molecule
204: ok 352 # SMARTS matched the SMILES molecule
204: ok 353 # SMARTS matched the SMILES molecule
204: ok 354 # SMARTS matched the SMILES molecule
204: ok 355 # SMARTS matched the SMILES molecule
204: ok 356 # SMARTS matched the SMILES molecule
204: ok 357 # SMARTS matched the SMILES molecule
204: ok 358 # SMARTS matched the SMILES molecule
204: ok 359 # SMARTS matched the SMILES molecule
204: ok 360 # SMARTS matched the SMILES molecule
204: ok 361 # SMARTS matched the SMILES molecule
204: ok 362 # SMARTS matched the SMILES molecule
204: ok 363 # SMARTS matched the SMILES molecule
204: ok 364 # SMARTS matched the SMILES molecule
204: ok 365 # SMARTS matched the SMILES molecule
204: ok 366 # SMARTS matched the SMILES molecule
204: ok 367 # SMARTS matched the SMILES molecule
204: ok 368 # SMARTS matched the SMILES molecule
204: ok 369 # SMARTS matched the SMILES molecule
204: ok 370 # SMARTS matched the SMILES molecule
204: ok 371 # SMARTS matched the SMILES molecule
204: ok 372 # SMARTS matched the SMILES molecule
204: ok 373 # SMARTS matched the SMILES molecule
204: ok 374 # SMARTS matched the SMILES molecule
204: ok 375 # SMARTS matched the SMILES molecule
204: ok 376 # SMARTS matched the SMILES molecule
204: ok 377 # SMARTS matched the SMILES molecule
204: ok 378 # SMARTS matched the SMILES molecule
204: ok 379 # SMARTS matched the SMILES molecule
204: ok 380 # SMARTS matched the SMILES molecule
204: ok 381 # SMARTS matched the SMILES molecule
204: ok 382 # SMARTS matched the SMILES molecule
204: ok 383 # SMARTS matched the SMILES molecule
204: ok 384 # SMARTS matched the SMILES molecule
204: ok 385 # SMARTS matched the SMILES molecule
204: ok 386 # SMARTS matched the SMILES molecule
204: ok 387 # SMARTS matched the SMILES molecule
204: ok 388 # SMARTS matched the SMILES molecule
204: ok 389 # SMARTS matched the SMILES molecule
204: ok 390 # SMARTS matched the SMILES molecule
204: ok 391 # SMARTS matched the SMILES molecule
204: ok 392 # SMARTS matched the SMILES molecule
204: ok 393 # SMARTS matched the SMILES molecule
204: ok 394 # SMARTS matched the SMILES molecule
204: ok 395 # SMARTS matched the SMILES molecule
204: ok 396 # SMARTS matched the SMILES molecule
204: ok 397 # SMARTS matched the SMILES molecule
204: ok 398 # SMARTS matched the SMILES molecule
204: ok 399 # SMARTS matched the SMILES molecule
204: ok 400 # SMARTS matched the SMILES molecule
204: ok 401 # SMARTS matched the SMILES molecule
204: ok 402 # SMARTS matched the SMILES molecule
204: ok 403 # SMARTS matched the SMILES molecule
204: ok 404 # SMARTS matched the SMILES molecule
204: ok 405 # SMARTS matched the SMILES molecule
204: ok 406 # SMARTS matched the SMILES molecule
204: ok 407 # SMARTS matched the SMILES molecule
204: ok 408 # SMARTS matched the SMILES molecule
204: ok 409 # SMARTS matched the SMILES molecule
204: ok 410 # SMARTS matched the SMILES molecule
204: ok 411 # SMARTS matched the SMILES molecule
204: ok 412 # SMARTS matched the SMILES molecule
204: ok 413 # SMARTS matched the SMILES molecule
204: ok 414 # SMARTS matched the SMILES molecule
204: ok 415 # SMARTS matched the SMILES molecule
204: ok 416 # SMARTS matched the SMILES molecule
204: ok 417 # SMARTS matched the SMILES molecule
204: ok 418 # SMARTS matched the SMILES molecule
204: ok 419 # SMARTS matched the SMILES molecule
204: ok 420 # SMARTS matched the SMILES molecule
204: ok 421 # SMARTS matched the SMILES molecule
204: ok 422 # SMARTS matched the SMILES molecule
204: ok 423 # SMARTS matched the SMILES molecule
204: ok 424 # SMARTS matched the SMILES molecule
204: ok 425 # SMARTS matched the SMILES molecule
204: ok 426 # SMARTS matched the SMILES molecule
204: ok 427 # SMARTS matched the SMILES molecule
204: ok 428 # SMARTS matched the SMILES molecule
204: ok 429 # SMARTS matched the SMILES molecule
204: ok 430 # SMARTS matched the SMILES molecule
204: ok 431 # SMARTS matched the SMILES molecule
204: ok 432 # SMARTS matched the SMILES molecule
204: ok 433 # SMARTS matched the SMILES molecule
204: ok 434 # SMARTS matched the SMILES molecule
204: ok 435 # SMARTS matched the SMILES molecule
204: ok 436 # SMARTS matched the SMILES molecule
204: ok 437 # SMARTS matched the SMILES molecule
204: ok 438 # SMARTS matched the SMILES molecule
204: ok 439 # SMARTS matched the SMILES molecule
204: ok 440 # SMARTS matched the SMILES molecule
204: ok 441 # SMARTS matched the SMILES molecule
204: ok 442 # SMARTS matched the SMILES molecule
204: ok 443 # SMARTS matched the SMILES molecule
204: ok 444 # SMARTS matched the SMILES molecule
204: ok 445 # SMARTS matched the SMILES molecule
204: ok 446 # SMARTS matched the SMILES molecule
204: ok 447 # SMARTS matched the SMILES molecule
204: ok 448 # SMARTS matched the SMILES molecule
204: ok 449 # SMARTS matched the SMILES molecule
204: ok 450 # SMARTS matched the SMILES molecule
204: ok 451 # SMARTS matched the SMILES molecule
204: ok 452 # SMARTS matched the SMILES molecule
204: ok 453 # SMARTS matched the SMILES molecule
204: ok 454 # SMARTS matched the SMILES molecule
204: ok 455 # SMARTS matched the SMILES molecule
204: ok 456 # SMARTS matched the SMILES molecule
204: ok 457 # SMARTS matched the SMILES molecule
204: ok 458 # SMARTS matched the SMILES molecule
204: ok 459 # SMARTS matched the SMILES molecule
204: ok 460 # SMARTS matched the SMILES molecule
204: ok 461 # SMARTS matched the SMILES molecule
204: ok 462 # SMARTS matched the SMILES molecule
204: ok 463 # SMARTS matched the SMILES molecule
204: ok 464 # SMARTS matched the SMILES molecule
204: ok 465 # SMARTS matched the SMILES molecule
204: ok 466 # SMARTS matched the SMILES molecule
204: ok 467 # SMARTS matched the SMILES molecule
204: ok 468 # SMARTS matched the SMILES molecule
204: ok 469 # SMARTS matched the SMILES molecule
204: ok 470 # SMARTS matched the SMILES molecule
204: ok 471 # SMARTS matched the SMILES molecule
204: ok 472 # SMARTS matched the SMILES molecule
204: ok 473 # SMARTS matched the SMILES molecule
204: ok 474 # SMARTS matched the SMILES molecule
204: ok 475 # SMARTS matched the SMILES molecule
204: ok 476 # SMARTS matched the SMILES molecule
204: ok 477 # SMARTS matched the SMILES molecule
204: ok 478 # SMARTS matched the SMILES molecule
204: ok 479 # SMARTS matched the SMILES molecule
204: ok 480 # SMARTS matched the SMILES molecule
204: ok 481 # SMARTS matched the SMILES molecule
204: ok 482 # SMARTS matched the SMILES molecule
204: ok 483 # SMARTS matched the SMILES molecule
204: ok 484 # SMARTS matched the SMILES molecule
204: ok 485 # SMARTS matched the SMILES molecule
204: ok 486 # SMARTS matched the SMILES molecule
204: ok 487 # SMARTS matched the SMILES molecule
204: ok 488 # SMARTS matched the SMILES molecule
204: ok 489 # SMARTS matched the SMILES molecule
204: ok 490 # SMARTS matched the SMILES molecule
204: ok 491 # SMARTS matched the SMILES molecule
204: ok 492 # SMARTS matched the SMILES molecule
204: ok 493 # SMARTS matched the SMILES molecule
204: ok 494 # SMARTS matched the SMILES molecule
204: ok 495 # SMARTS matched the SMILES molecule
204: ok 496 # SMARTS matched the SMILES molecule
204: ok 497 # SMARTS matched the SMILES molecule
204: ok 498 # SMARTS matched the SMILES molecule
204: ok 499 # SMARTS matched the SMILES molecule
204: ok 500 # SMARTS matched the SMILES molecule
204: ok 501 # SMARTS matched the SMILES molecule
204: ok 502 # SMARTS matched the SMILES molecule
204: ok 503 # SMARTS matched the SMILES molecule
204: ok 504 # SMARTS matched the SMILES molecule
204: ok 505 # SMARTS matched the SMILES molecule
204: ok 506 # SMARTS matched the SMILES molecule
204: ok 507 # SMARTS matched the SMILES molecule
204: ok 508 # SMARTS matched the SMILES molecule
204: ok 509 # SMARTS matched the SMILES molecule
204: ok 510 # SMARTS matched the SMILES molecule
204: ok 511 # SMARTS matched the SMILES molecule
204: ok 512 # SMARTS matched the SMILES molecule
204: ok 513 # SMARTS matched the SMILES molecule
204: ok 514 # SMARTS matched the SMILES molecule
204: ok 515 # SMARTS matched the SMILES molecule
204: ok 516 # SMARTS matched the SMILES molecule
204: ok 517 # SMARTS matched the SMILES molecule
204: ok 518 # SMARTS matched the SMILES molecule
204: ok 519 # SMARTS matched the SMILES molecule
204: ok 520 # SMARTS matched the SMILES molecule
204: ok 521 # SMARTS matched the SMILES molecule
204: ok 522 # SMARTS matched the SMILES molecule
204: ok 523 # SMARTS matched the SMILES molecule
204: ok 524 # SMARTS matched the SMILES molecule
204: ok 525 # SMARTS matched the SMILES molecule
204: ok 526 # SMARTS matched the SMILES molecule
204: ok 527 # SMARTS matched the SMILES molecule
204: ok 528 # SMARTS matched the SMILES molecule
204: ok 529 # SMARTS matched the SMILES molecule
204: ok 530 # SMARTS matched the SMILES molecule
204: ok 531 # SMARTS matched the SMILES molecule
204: ok 532 # SMARTS matched the SMILES molecule
204: ok 533 # SMARTS matched the SMILES molecule
204: ok 534 # SMARTS matched the SMILES molecule
204: ok 535 # SMARTS matched the SMILES molecule
204: ok 536 # SMARTS matched the SMILES molecule
204: ok 537 # SMARTS matched the SMILES molecule
204: ok 538 # SMARTS matched the SMILES molecule
204: ok 539 # SMARTS matched the SMILES molecule
204: ok 540 # SMARTS matched the SMILES molecule
204: ok 541 # SMARTS matched the SMILES molecule
204: ok 542 # SMARTS matched the SMILES molecule
204: ok 543 # SMARTS matched the SMILES molecule
204: ok 544 # SMARTS matched the SMILES molecule
204: ok 545 # SMARTS matched the SMILES molecule
204: ok 546 # SMARTS matched the SMILES molecule
204: ok 547 # SMARTS matched the SMILES molecule
204: ok 548 # SMARTS matched the SMILES molecule
204: ok 549 # SMARTS matched the SMILES molecule
204: ok 550 # SMARTS matched the SMILES molecule
204: ok 551 # SMARTS matched the SMILES molecule
204: ok 552 # SMARTS matched the SMILES molecule
204: ok 553 # SMARTS matched the SMILES molecule
204: ok 554 # SMARTS matched the SMILES molecule
204: ok 555 # SMARTS matched the SMILES molecule
204: ok 556 # SMARTS matched the SMILES molecule
204: ok 557 # SMARTS matched the SMILES molecule
204: ok 558 # SMARTS matched the SMILES molecule
204: ok 559 # SMARTS matched the SMILES molecule
204: ok 560 # SMARTS matched the SMILES molecule
204: ok 561 # SMARTS matched the SMILES molecule
204: ok 562 # SMARTS matched the SMILES molecule
204: ok 563 # SMARTS matched the SMILES molecule
204: ok 564 # SMARTS matched the SMILES molecule
204: ok 565 # SMARTS matched the SMILES molecule
204: ok 566 # SMARTS matched the SMILES molecule
204: ok 567 # SMARTS matched the SMILES molecule
204: ok 568 # SMARTS matched the SMILES molecule
204: ok 569 # SMARTS matched the SMILES molecule
204: ok 570 # SMARTS matched the SMILES molecule
204: ok 571 # SMARTS matched the SMILES molecule
204: ok 572 # SMARTS matched the SMILES molecule
204: ok 573 # SMARTS matched the SMILES molecule
204: ok 574 # SMARTS matched the SMILES molecule
204: ok 575 # SMARTS matched the SMILES molecule
204: ok 576 # SMARTS matched the SMILES molecule
204: ok 577 # SMARTS matched the SMILES molecule
204: ok 578 # SMARTS matched the SMILES molecule
204: ok 579 # SMARTS matched the SMILES molecule
204: ok 580 # SMARTS matched the SMILES molecule
204: ok 581 # SMARTS matched the SMILES molecule
204: ok 582 # SMARTS matched the SMILES molecule
204: ok 583 # SMARTS matched the SMILES molecule
204: ok 584 # SMARTS matched the SMILES molecule
204: ok 585 # SMARTS matched the SMILES molecule
204: ok 586 # SMARTS matched the SMILES molecule
204: ok 587 # SMARTS matched the SMILES molecule
204: ok 588 # SMARTS matched the SMILES molecule
204: ok 589 # SMARTS matched the SMILES molecule
204: ok 590 # SMARTS matched the SMILES molecule
204: ok 591 # SMARTS matched the SMILES molecule
204: ok 592 # SMARTS matched the SMILES molecule
204: ok 593 # SMARTS matched the SMILES molecule
204: ok 594 # SMARTS matched the SMILES molecule
204: ok 595 # SMARTS matched the SMILES molecule
204: ok 596 # SMARTS matched the SMILES molecule
204: ok 597 # SMARTS matched the SMILES molecule
204: ok 598 # SMARTS matched the SMILES molecule
204: ok 599 # SMARTS matched the SMILES molecule
204: ok 600 # SMARTS matched the SMILES molecule
204: ok 601 # SMARTS matched the SMILES molecule
204: ok 602 # SMARTS matched the SMILES molecule
204: ok 603 # SMARTS matched the SMILES molecule
204: ok 604 # SMARTS matched the SMILES molecule
204: ok 605 # SMARTS matched the SMILES molecule
204: ok 606 # SMARTS matched the SMILES molecule
204: ok 607 # SMARTS matched the SMILES molecule
204: ok 608 # SMARTS matched the SMILES molecule
204: ok 609 # SMARTS matched the SMILES molecule
204: ok 610 # SMARTS matched the SMILES molecule
204: ok 611 # SMARTS matched the SMILES molecule
204: ok 612 # SMARTS matched the SMILES molecule
204: ok 613 # SMARTS matched the SMILES molecule
204: ok 614 # SMARTS matched the SMILES molecule
204: ok 615 # SMARTS matched the SMILES molecule
204: ok 616 # SMARTS matched the SMILES molecule
204: ok 617 # SMARTS matched the SMILES molecule
204: ok 618 # SMARTS matched the SMILES molecule
204: ok 619 # SMARTS matched the SMILES molecule
204: ok 620 # SMARTS matched the SMILES molecule
204: ok 621 # SMARTS matched the SMILES molecule
204: ok 622 # SMARTS matched the SMILES molecule
204: ok 623 # SMARTS matched the SMILES molecule
204: ok 624 # SMARTS matched the SMILES molecule
204: ok 625 # SMARTS matched the SMILES molecule
204: ok 626 # SMARTS matched the SMILES molecule
204: ok 627 # SMARTS matched the SMILES molecule
204: ok 628 # SMARTS matched the SMILES molecule
204: ok 629 # SMARTS matched the SMILES molecule
204: ok 630 # SMARTS matched the SMILES molecule
204: ok 631 # SMARTS matched the SMILES molecule
204: ok 632 # SMARTS matched the SMILES molecule
204: ok 633 # SMARTS matched the SMILES molecule
204: ok 634 # SMARTS matched the SMILES molecule
204: ok 635 # SMARTS matched the SMILES molecule
204: ok 636 # SMARTS matched the SMILES molecule
204: ok 637 # SMARTS matched the SMILES molecule
204: ok 638 # SMARTS matched the SMILES molecule
204: ok 639 # SMARTS matched the SMILES molecule
204: ok 640 # SMARTS matched the SMILES molecule
204: ok 641 # SMARTS matched the SMILES molecule
204: ok 642 # SMARTS matched the SMILES molecule
204: ok 643 # SMARTS matched the SMILES molecule
204: ok 644 # SMARTS matched the SMILES molecule
204: ok 645 # SMARTS matched the SMILES molecule
204: ok 646 # SMARTS matched the SMILES molecule
204: ok 647 # SMARTS matched the SMILES molecule
204: ok 648 # SMARTS matched the SMILES molecule
204: ok 649 # SMARTS matched the SMILES molecule
204: ok 650 # SMARTS matched the SMILES molecule
204: ok 651 # SMARTS matched the SMILES molecule
204: ok 652 # SMARTS matched the SMILES molecule
204: ok 653 # SMARTS matched the SMILES molecule
204: ok 654 # SMARTS matched the SMILES molecule
204: ok 655 # SMARTS matched the SMILES molecule
204: ok 656 # SMARTS matched the SMILES molecule
204: ok 657 # SMARTS matched the SMILES molecule
204: ok 658 # SMARTS matched the SMILES molecule
204: ok 659 # SMARTS matched the SMILES molecule
204: ok 660 # SMARTS matched the SMILES molecule
204: ok 661 # SMARTS matched the SMILES molecule
204: ok 662 # SMARTS matched the SMILES molecule
204: ok 663 # SMARTS matched the SMILES molecule
204: ok 664 # SMARTS matched the SMILES molecule
204: ok 665 # SMARTS matched the SMILES molecule
204: ok 666 # SMARTS matched the SMILES molecule
204: ok 667 # SMARTS matched the SMILES molecule
204: ok 668 # SMARTS matched the SMILES molecule
204: ok 669 # SMARTS matched the SMILES molecule
204: ok 670 # SMARTS matched the SMILES molecule
204: ok 671 # SMARTS matched the SMILES molecule
204: ok 672 # SMARTS matched the SMILES molecule
204: ok 673 # SMARTS matched the SMILES molecule
204: ok 674 # SMARTS matched the SMILES molecule
204: ok 675 # SMARTS matched the SMILES molecule
204: ok 676 # SMARTS matched the SMILES molecule
204: ok 677 # SMARTS matched the SMILES molecule
204: ok 678 # SMARTS matched the SMILES molecule
204: ok 679 # SMARTS matched the SMILES molecule
204: ok 680 # SMARTS matched the SMILES molecule
204: ok 681 # SMARTS matched the SMILES molecule
204: ok 682 # SMARTS matched the SMILES molecule
204: ok 683 # SMARTS matched the SMILES molecule
204: ok 684 # SMARTS matched the SMILES molecule
204: ok 685 # SMARTS matched the SMILES molecule
204: ok 686 # SMARTS matched the SMILES molecule
204: ok 687 # SMARTS matched the SMILES molecule
204: ok 688 # SMARTS matched the SMILES molecule
204: ok 689 # SMARTS matched the SMILES molecule
204: ok 690 # SMARTS matched the SMILES molecule
204: ok 691 # SMARTS matched the SMILES molecule
204: ok 692 # SMARTS matched the SMILES molecule
204: ok 693 # SMARTS matched the SMILES molecule
204: ok 694 # SMARTS matched the SMILES molecule
204: ok 695 # SMARTS matched the SMILES molecule
204: ok 696 # SMARTS matched the SMILES molecule
204: ok 697 # SMARTS matched the SMILES molecule
204: ok 698 # SMARTS matched the SMILES molecule
204: ok 699 # SMARTS matched the SMILES molecule
204: ok 700 # SMARTS matched the SMILES molecule
204: ok 701 # SMARTS matched the SMILES molecule
204: ok 702 # SMARTS matched the SMILES molecule
204: ok 703 # SMARTS matched the SMILES molecule
204: ok 704 # SMARTS matched the SMILES molecule
204: ok 705 # SMARTS matched the SMILES molecule
204: ok 706 # SMARTS matched the SMILES molecule
204: ok 707 # SMARTS matched the SMILES molecule
204: ok 708 # SMARTS matched the SMILES molecule
204: ok 709 # SMARTS matched the SMILES molecule
204: ok 710 # SMARTS matched the SMILES molecule
204: ok 711 # SMARTS matched the SMILES molecule
204: ok 712 # SMARTS matched the SMILES molecule
204: ok 713 # SMARTS matched the SMILES molecule
204: ok 714 # SMARTS matched the SMILES molecule
204: ok 715 # SMARTS matched the SMILES molecule
204: ok 716 # SMARTS matched the SMILES molecule
204: ok 717 # SMARTS matched the SMILES molecule
204: ok 718 # SMARTS matched the SMILES molecule
204: ok 719 # SMARTS matched the SMILES molecule
204: ok 720 # SMARTS matched the SMILES molecule
204: ok 721 # SMARTS matched the SMILES molecule
204: ok 722 # SMARTS matched the SMILES molecule
204: ok 723 # SMARTS matched the SMILES molecule
204: ok 724 # SMARTS matched the SMILES molecule
204: ok 725 # SMARTS matched the SMILES molecule
204: ok 726 # SMARTS matched the SMILES molecule
204: ok 727 # SMARTS matched the SMILES molecule
204: ok 728 # SMARTS matched the SMILES molecule
204: ok 729 # SMARTS matched the SMILES molecule
204: ok 730 # SMARTS matched the SMILES molecule
204: ok 731 # SMARTS matched the SMILES molecule
204: ok 732 # SMARTS matched the SMILES molecule
204: ok 733 # SMARTS matched the SMILES molecule
204: ok 734 # SMARTS matched the SMILES molecule
204: ok 735 # SMARTS matched the SMILES molecule
204: ok 736 # SMARTS matched the SMILES molecule
204: ok 737 # SMARTS matched the SMILES molecule
204: ok 738 # SMARTS matched the SMILES molecule
204: ok 739 # SMARTS matched the SMILES molecule
204: ok 740 # SMARTS matched the SMILES molecule
204: ok 741 # SMARTS matched the SMILES molecule
204: ok 742 # SMARTS matched the SMILES molecule
204: ok 743 # SMARTS matched the SMILES molecule
204: ok 744 # SMARTS matched the SMILES molecule
204: ok 745 # SMARTS matched the SMILES molecule
204: ok 746 # SMARTS matched the SMILES molecule
204: ok 747 # SMARTS matched the SMILES molecule
204: ok 748 # SMARTS matched the SMILES molecule
204: ok 749 # SMARTS matched the SMILES molecule
204: ok 750 # SMARTS matched the SMILES molecule
204: ok 751 # SMARTS matched the SMILES molecule
204: ok 752 # SMARTS matched the SMILES molecule
204: ok 753 # SMARTS matched the SMILES molecule
204: ok 754 # SMARTS matched the SMILES molecule
204: ok 755 # SMARTS matched the SMILES molecule
204: ok 756 # SMARTS matched the SMILES molecule
204: ok 757 # SMARTS matched the SMILES molecule
204: ok 758 # SMARTS matched the SMILES molecule
204: ok 759 # SMARTS matched the SMILES molecule
204: ok 760 # SMARTS matched the SMILES molecule
204: ok 761 # SMARTS matched the SMILES molecule
204: ok 762 # SMARTS matched the SMILES molecule
204: ok 763 # SMARTS matched the SMILES molecule
204: ok 764 # SMARTS matched the SMILES molecule
204: ok 765 # SMARTS matched the SMILES molecule
204: ok 766 # SMARTS matched the SMILES molecule
204: ok 767 # SMARTS matched the SMILES molecule
204: ok 768 # SMARTS matched the SMILES molecule
204: ok 769 # SMARTS matched the SMILES molecule
204: ok 770 # SMARTS matched the SMILES molecule
204: ok 771 # SMARTS matched the SMILES molecule
204: ok 772 # SMARTS matched the SMILES molecule
204: ok 773 # SMARTS matched the SMILES molecule
204: ok 774 # SMARTS matched the SMILES molecule
204: ok 775 # SMARTS matched the SMILES molecule
204: ok 776 # SMARTS matched the SMILES molecule
204: ok 777 # SMARTS matched the SMILES molecule
204: ok 778 # SMARTS matched the SMILES molecule
204: ok 779 # SMARTS matched the SMILES molecule
204: ok 780 # SMARTS matched the SMILES molecule
204: ok 781 # SMARTS matched the SMILES molecule
204: ok 782 # SMARTS matched the SMILES molecule
204: ok 783 # SMARTS matched the SMILES molecule
204: ok 784 # SMARTS matched the SMILES molecule
204: ok 785 # SMARTS matched the SMILES molecule
204: ok 786 # SMARTS matched the SMILES molecule
204: ok 787 # SMARTS matched the SMILES molecule
204: ok 788 # SMARTS matched the SMILES molecule
204: ok 789 # SMARTS matched the SMILES molecule
204: ok 790 # SMARTS matched the SMILES molecule
204: ok 791 # SMARTS matched the SMILES molecule
204: ok 792 # SMARTS matched the SMILES molecule
204: ok 793 # SMARTS matched the SMILES molecule
204: ok 794 # SMARTS matched the SMILES molecule
204: ok 795 # SMARTS matched the SMILES molecule
204: ok 796 # SMARTS matched the SMILES molecule
204: ok 797 # SMARTS matched the SMILES molecule
204: ok 798 # SMARTS matched the SMILES molecule
204: ok 799 # SMARTS matched the SMILES molecule
204: ok 800 # SMARTS matched the SMILES molecule
204: ok 801 # SMARTS matched the SMILES molecule
204: ok 802 # SMARTS matched the SMILES molecule
204: ok 803 # SMARTS matched the SMILES molecule
204: ok 804 # SMARTS matched the SMILES molecule
204: ok 805 # SMARTS matched the SMILES molecule
204: ok 806 # SMARTS matched the SMILES molecule
204: ok 807 # SMARTS matched the SMILES molecule
204: ok 808 # SMARTS matched the SMILES molecule
204: ok 809 # SMARTS matched the SMILES molecule
204: ok 810 # SMARTS matched the SMILES molecule
204: ok 811 # SMARTS matched the SMILES molecule
204: ok 812 # SMARTS matched the SMILES molecule
204: ok 813 # SMARTS matched the SMILES molecule
204: ok 814 # SMARTS matched the SMILES molecule
204: ok 815 # SMARTS matched the SMILES molecule
204: ok 816 # SMARTS matched the SMILES molecule
204: ok 817 # SMARTS matched the SMILES molecule
204: ok 818 # SMARTS matched the SMILES molecule
204: ok 819 # SMARTS matched the SMILES molecule
204: ok 820 # SMARTS matched the SMILES molecule
204: ok 821 # SMARTS matched the SMILES molecule
204: ok 822 # SMARTS matched the SMILES molecule
204: ok 823 # SMARTS matched the SMILES molecule
204: ok 824 # SMARTS matched the SMILES molecule
204: ok 825 # SMARTS matched the SMILES molecule
204: ok 826 # SMARTS matched the SMILES molecule
204: ok 827 # SMARTS matched the SMILES molecule
204: ok 828 # SMARTS matched the SMILES molecule
204: ok 829 # SMARTS matched the SMILES molecule
204: ok 830 # SMARTS matched the SMILES molecule
204: ok 831 # SMARTS matched the SMILES molecule
204: ok 832 # SMARTS matched the SMILES molecule
204: ok 833 # SMARTS matched the SMILES molecule
204: ok 834 # SMARTS matched the SMILES molecule
204: ok 835 # SMARTS matched the SMILES molecule
204: ok 836 # SMARTS matched the SMILES molecule
204: ok 837 # SMARTS matched the SMILES molecule
204: ok 838 # SMARTS matched the SMILES molecule
204: ok 839 # SMARTS matched the SMILES molecule
204: ok 840 # SMARTS matched the SMILES molecule
204: ok 841 # SMARTS matched the SMILES molecule
204: ok 842 # SMARTS matched the SMILES molecule
204: ok 843 # SMARTS matched the SMILES molecule
204: ok 844 # SMARTS matched the SMILES molecule
204: ok 845 # SMARTS matched the SMILES molecule
204: ok 846 # SMARTS matched the SMILES molecule
204: ok 847 # SMARTS matched the SMILES molecule
204: ok 848 # SMARTS matched the SMILES molecule
204: ok 849 # SMARTS matched the SMILES molecule
204: ok 850 # SMARTS matched the SMILES molecule
204: ok 851 # SMARTS matched the SMILES molecule
204: ok 852 # SMARTS matched the SMILES molecule
204: ok 853 # SMARTS matched the SMILES molecule
204: ok 854 # SMARTS matched the SMILES molecule
204: ok 855 # SMARTS matched the SMILES molecule
204: ok 856 # SMARTS matched the SMILES molecule
204: ok 857 # SMARTS matched the SMILES molecule
204: ok 858 # SMARTS matched the SMILES molecule
204: ok 859 # SMARTS matched the SMILES molecule
204: ok 860 # SMARTS matched the SMILES molecule
204: ok 861 # SMARTS matched the SMILES molecule
204: ok 862 # SMARTS matched the SMILES molecule
204: ok 863 # SMARTS matched the SMILES molecule
204: ok 864 # SMARTS matched the SMILES molecule
204: ok 865 # SMARTS matched the SMILES molecule
204: ok 866 # SMARTS matched the SMILES molecule
204: ok 867 # SMARTS matched the SMILES molecule
204: ok 868 # SMARTS matched the SMILES molecule
204: ok 869 # SMARTS matched the SMILES molecule
204: ok 870 # SMARTS matched the SMILES molecule
204: ok 871 # SMARTS matched the SMILES molecule
204: ok 872 # SMARTS matched the SMILES molecule
204: ok 873 # SMARTS matched the SMILES molecule
204: ok 874 # SMARTS matched the SMILES molecule
204: ok 875 # SMARTS matched the SMILES molecule
204: ok 876 # SMARTS matched the SMILES molecule
204: ok 877 # SMARTS matched the SMILES molecule
204: ok 878 # SMARTS matched the SMILES molecule
204: ok 879 # SMARTS matched the SMILES molecule
204: ok 880 # SMARTS matched the SMILES molecule
204: ok 881 # SMARTS matched the SMILES molecule
204: ok 882 # SMARTS matched the SMILES molecule
204: ok 883 # SMARTS matched the SMILES molecule
204: ok 884 # SMARTS matched the SMILES molecule
204: ok 885 # SMARTS matched the SMILES molecule
204: ok 886 # SMARTS matched the SMILES molecule
204: ok 887 # SMARTS matched the SMILES molecule
204: ok 888 # SMARTS matched the SMILES molecule
204: ok 889 # SMARTS matched the SMILES molecule
204: ok 890 # SMARTS matched the SMILES molecule
204: ok 891 # SMARTS matched the SMILES molecule
204: ok 892 # SMARTS matched the SMILES molecule
204: ok 893 # SMARTS matched the SMILES molecule
204: ok 894 # SMARTS matched the SMILES molecule
204: ok 895 # SMARTS matched the SMILES molecule
204: ok 896 # SMARTS matched the SMILES molecule
204: ok 897 # SMARTS matched the SMILES molecule
204: ok 898 # SMARTS matched the SMILES molecule
204: ok 899 # SMARTS matched the SMILES molecule
204: ok 900 # SMARTS matched the SMILES molecule
204: ok 901 # SMARTS matched the SMILES molecule
204: ok 902 # SMARTS matched the SMILES molecule
204: ok 903 # SMARTS matched the SMILES molecule
204: ok 904 # SMARTS matched the SMILES molecule
204: ok 905 # SMARTS matched the SMILES molecule
204: ok 906 # SMARTS matched the SMILES molecule
204: ok 907 # SMARTS matched the SMILES molecule
204: ok 908 # SMARTS matched the SMILES molecule
204: ok 909 # SMARTS matched the SMILES molecule
204: ok 910 # SMARTS matched the SMILES molecule
204: ok 911 # SMARTS matched the SMILES molecule
204: ok 912 # SMARTS matched the SMILES molecule
204: ok 913 # SMARTS matched the SMILES molecule
204: ok 914 # SMARTS matched the SMILES molecule
204: ok 915 # SMARTS matched the SMILES molecule
204: ok 916 # SMARTS matched the SMILES molecule
204: ok 917 # SMARTS matched the SMILES molecule
204: ok 918 # SMARTS matched the SMILES molecule
204: ok 919 # SMARTS matched the SMILES molecule
204: ok 920 # SMARTS matched the SMILES molecule
204: ok 921 # SMARTS matched the SMILES molecule
204: ok 922 # SMARTS matched the SMILES molecule
204: ok 923 # SMARTS matched the SMILES molecule
204: ok 924 # SMARTS matched the SMILES molecule
204: ok 925 # SMARTS matched the SMILES molecule
204: ok 926 # SMARTS matched the SMILES molecule
204: ok 927 # SMARTS matched the SMILES molecule
204: ok 928 # SMARTS matched the SMILES molecule
204: ok 929 # SMARTS matched the SMILES molecule
204: ok 930 # SMARTS matched the SMILES molecule
204: ok 931 # SMARTS matched the SMILES molecule
204: ok 932 # SMARTS matched the SMILES molecule
204: ok 933 # SMARTS matched the SMILES molecule
204: ok 934 # SMARTS matched the SMILES molecule
204: ok 935 # SMARTS matched the SMILES molecule
204: ok 936 # SMARTS matched the SMILES molecule
204: ok 937 # SMARTS matched the SMILES molecule
204: ok 938 # SMARTS matched the SMILES molecule
204: ok 939 # SMARTS matched the SMILES molecule
204: ok 940 # SMARTS matched the SMILES molecule
204: ok 941 # SMARTS matched the SMILES molecule
204: ok 942 # SMARTS matched the SMILES molecule
204: ok 943 # SMARTS matched the SMILES molecule
204: ok 944 # SMARTS matched the SMILES molecule
204: ok 945 # SMARTS matched the SMILES molecule
204: ok 946 # SMARTS matched the SMILES molecule
204: ok 947 # SMARTS matched the SMILES molecule
204: ok 948 # SMARTS matched the SMILES molecule
204: ok 949 # SMARTS matched the SMILES molecule
204: ok 950 # SMARTS matched the SMILES molecule
204: ok 951 # SMARTS matched the SMILES molecule
204: ok 952 # SMARTS matched the SMILES molecule
204: ok 953 # SMARTS matched the SMILES molecule
204: ok 954 # SMARTS matched the SMILES molecule
204: ok 955 # SMARTS matched the SMILES molecule
204: ok 956 # SMARTS matched the SMILES molecule
204: ok 957 # SMARTS matched the SMILES molecule
204: ok 958 # SMARTS matched the SMILES molecule
204: ok 959 # SMARTS matched the SMILES molecule
204: ok 960 # SMARTS matched the SMILES molecule
204: ok 961 # SMARTS matched the SMILES molecule
204: ok 962 # SMARTS matched the SMILES molecule
204: ok 963 # SMARTS matched the SMILES molecule
204: ok 964 # SMARTS matched the SMILES molecule
204: ok 965 # SMARTS matched the SMILES molecule
204: ok 966 # SMARTS matched the SMILES molecule
204: ok 967 # SMARTS matched the SMILES molecule
204: ok 968 # SMARTS matched the SMILES molecule
204: ok 969 # SMARTS matched the SMILES molecule
204: ok 970 # SMARTS matched the SMILES molecule
204: ok 971 # SMARTS matched the SMILES molecule
204: ok 972 # SMARTS matched the SMILES molecule
204: ok 973 # SMARTS matched the SMILES molecule
204: ok 974 # SMARTS matched the SMILES molecule
204: ok 975 # SMARTS matched the SMILES molecule
204: ok 976 # SMARTS matched the SMILES molecule
204: ok 977 # SMARTS matched the SMILES molecule
204: ok 978 # SMARTS matched the SMILES molecule
204: ok 979 # SMARTS matched the SMILES molecule
204: ok 980 # SMARTS matched the SMILES molecule
204: ok 981 # SMARTS matched the SMILES molecule
204: ok 982 # SMARTS matched the SMILES molecule
204: ok 983 # SMARTS matched the SMILES molecule
204: ok 984 # SMARTS matched the SMILES molecule
204: ok 985 # SMARTS matched the SMILES molecule
204: ok 986 # SMARTS matched the SMILES molecule
204: ok 987 # SMARTS matched the SMILES molecule
204: ok 988 # SMARTS matched the SMILES molecule
204: ok 989 # SMARTS matched the SMILES molecule
204: ok 990 # SMARTS matched the SMILES molecule
204: ok 991 # SMARTS matched the SMILES molecule
204: ok 992 # SMARTS matched the SMILES molecule
204: ok 993 # SMARTS matched the SMILES molecule
204: ok 994 # SMARTS matched the SMILES molecule
204: 1..994
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eq1_bea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eqe_5r8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eqg_5re.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eqh_5rf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eqi_5rh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eqp_5r9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5eqy_5ra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5er4_5rl.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iin_dup.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ij8_6bn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ijr_hrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ik6_cre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ik6_dpo.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ikh_6bw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iki_a9h.sdf
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202: # Testing SMARTS...  
202: ok 1 # molecule passed tests
202: ok 2 # molecule passed tests
202: ok 3 # molecule passed tests
202: ok 4 # molecule passed tests
202: ok 5 # molecule passed tests
202: ok 6 # molecule passed tests
202: ok 7 # molecule passed tests
202: ok 8 # molecule passed tests
202: ok 9 # molecule passed tests
202: ok 10 # molecule passed tests
202: ok 11 # molecule passed tests
202: ok 12 # molecule passed tests
202: ok 13 # molecule passed tests
202: ok 14 # molecule passed tests
202: ok 15 # molecule passed tests
202: ok 16 # molecule passed tests
202: ok 17 # molecule passed tests
202: ok 18 # molecule passed tests
202: ok 19 # molecule passed tests
202: ok 20 # molecule passed tests
202: ok 21 # molecule passed tests
202: ok 22 # molecule passed tests
202: ok 23 # molecule passed tests
202: ok 24 # molecule passed tests
202: ok 25 # molecule passed tests
202: ok 26 # molecule passed tests
202: ok 27 # molecule passed tests
202: ok 28 # molecule passed tests
202: ok 29 # molecule passed tests
202: ok 30 # molecule passed tests
202: ok 31 # molecule passed tests
202: ok 32 # molecule passed tests
202: ok 33 # molecule passed tests
202: ok 34 # molecule passed tests
202: ok 35 # molecule passed tests
202: ok 36 # molecule passed tests
202: ok 37 # molecule passed tests
202: ok 38 # molecule passed tests
202: ok 39 # molecule passed tests
202: ok 40 # molecule passed tests
202: ok 41 # molecule passed tests
202: ok 42 # molecule passed tests
202: ok 43 # molecule passed tests
202: ok 44 # molecule passed tests
202: ok 45 # molecule passed tests
202: ok 46 # molecule passed tests
202: ok 47 # molecule passed tests
202: ok 48 # molecule passed tests
202: ok 49 # molecule passed tests
202: ok 50 # molecule passed tests
202: ok 51 # molecule passed tests
202: ok 52 # molecule passed tests
202: ok 53 # molecule passed tests
202: ok 54 # molecule passed tests
202: ok 55 # molecule passed tests
202: ok 56 # molecule passed tests
202: ok 57 # molecule passed tests
202: ok 58 # molecule passed tests
202: ok 59 # molecule passed tests
202: ok 60 # molecule passed tests
202: ok 61 # molecule passed tests
202: ok 62 # molecule passed tests
202: ok 63 # molecule passed tests
202: ok 64 # molecule passed tests
202: ok 65 # molecule passed tests
202: ok 66 # molecule passed tests
202: ok 67 # molecule passed tests
202: ok 68 # molecule passed tests
202: ok 69 # molecule passed tests
202: ok 70 # molecule passed tests
202: ok 71 # molecule passed tests
202: ok 72 # molecule passed tests
202: ok 73 # molecule passed tests
202: ok 74 # molecule passed tests
202: ok 75 # molecule passed tests
202: ok 76 # molecule passed tests
202: ok 77 # molecule passed tests
202: ok 78 # molecule passed tests
202: ok 79 # molecule passed tests
202: ok 80 # molecule passed tests
202: ok 81 # molecule passed tests
202: ok 82 # molecule passed tests
202: ok 83 # molecule passed tests
202: ok 84 # molecule passed tests
202: ok 85 # molecule passed tests
202: ok 86 # molecule passed tests
202: ok 87 # molecule passed tests
202: ok 88 # molecule passed tests
202: ok 89 # molecule passed tests
202: ok 90 # molecule passed tests
202: ok 91 # molecule passed tests
202: ok 92 # molecule passed tests
202: ok 93 # molecule passed tests
202: ok 94 # molecule passed tests
202: ok 95 # molecule passed tests
202: ok 96 # molecule passed tests
202: ok 97 # molecule passed tests
202: ok 98 # molecule passed tests
202: ok 99 # molecule passed tests
202: ok 100 # molecule passed tests
202: ok 101 # molecule passed tests
202: ok 102 # molecule passed tests
202: ok 103 # molecule passed tests
202: ok 104 # molecule passed tests
202: ok 105 # molecule passed tests
202: ok 106 # molecule passed tests
202: ok 107 # molecule passed tests
202: ok 108 # molecule passed tests
202: ok 109 # molecule passed tests
202: ok 110 # molecule passed tests
202: ok 111 # molecule passed tests
202: ok 112 # molecule passed tests
202: ok 113 # molecule passed tests
202: ok 114 # molecule passed tests
202: ok 115 # molecule passed tests
202: ok 116 # molecule passed tests
202: ok 117 # molecule passed tests
202: ok 118 # molecule passed tests
202: ok 119 # molecule passed tests
202: ok 120 # molecule passed tests
202: ok 121 # molecule passed tests
202: ok 122 # molecule passed tests
202: ok 123 # molecule passed tests
202: ok 124 # molecule passed tests
202: ok 125 # molecule passed tests
202: ok 126 # molecule passed tests
202: ok 127 # molecule passed tests
202: ok 128 # molecule passed tests
202: ok 129 # molecule passed tests
202: ok 130 # molecule passed tests
202: ok 131 # molecule passed tests
202: ok 132 # molecule passed tests
202: ok 133 # molecule passed tests
202: ok 134 # molecule passed tests
202: ok 135 # molecule passed tests
202: ok 136 # molecule passed tests
202: ok 137 # molecule passed tests
202: ok 138 # molecule passed tests
202: ok 139 # molecule passed tests
202: ok 140 # molecule passed tests
202: ok 141 # molecule passed tests
202: ok 142 # molecule passed tests
202: ok 143 # molecule passed tests
202: ok 144 # molecule passed tests
202: ok 145 # molecule passed tests
202: ok 146 # molecule passed tests
202: ok 147 # molecule passed tests
202: ok 148 # molecule passed tests
202: ok 149 # molecule passed tests
202: ok 150 # molecule passed tests
202: ok 151 # molecule passed tests
202: ok 152 # molecule passed tests
202: ok 153 # molecule passed tests
202: ok 154 # molecule passed tests
202: ok 155 # molecule passed tests
202: ok 156 # molecule passed tests
202: ok 157 # molecule passed tests
202: ok 158 # molecule passed tests
202: ok 159 # molecule passed tests
202: ok 160 # molecule passed tests
202: ok 161 # molecule passed tests
202: ok 162 # molecule passed tests
202: ok 163 # molecule passed tests
202: ok 164 # molecule passed tests
202: ok 165 # molecule passed tests
202: ok 166 # molecule passed tests
202: ok 167 # molecule passed tests
202: ok 168 # molecule passed tests
202: ok 169 # molecule passed tests
202: ok 170 # molecule passed tests
202: ok 171 # molecule passed tests
202: ok 172 # molecule passed tests
202: ok 173 # molecule passed tests
202: ok 174 # molecule passed tests
202: ok 175 # molecule passed tests
202: ok 176 # molecule passed tests
202: ok 177 # molecule passed tests
202: ok 178 # molecule passed tests
202: ok 179 # molecule passed tests
202: ok 180 # molecule passed tests
202: ok 181 # molecule passed tests
202: ok 182 # molecule passed tests
202: ok 183 # molecule passed tests
202: ok 184 # molecule passed tests
202: ok 185 # molecule passed tests
202: ok 186 # molecule passed tests
202: ok 187 # molecule passed tests
202: ok 188 # molecule passed tests
202: ok 189 # molecule passed tests
202: ok 190 # molecule passed tests
202: ok 191 # molecule passed tests
202: ok 192 # molecule passed tests
202: ok 193 # molecule passed tests
202: ok 194 # molecule passed tests
202: ok 195 # molecule passed tests
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202: ok 201 # molecule passed tests
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202: ok 207 # molecule passed tests
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202: ok 213 # molecule passed tests
202: ok 214 # molecule passed tests
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202: ok 224 # molecule passed tests
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202: ok 228 # molecule passed tests
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202: ok 230 # molecule passed tests
202: ok 231 # molecule passed tests
202: ok 232 # molecule passed tests
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202: ok 234 # molecule passed tests
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202: ok 236 # molecule passed tests
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202: ok 238 # molecule passed tests
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202: ok 240 # molecule passed tests
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202: ok 245 # molecule passed tests
202: ok 246 # molecule passed tests
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202: ok 250 # molecule passed tests
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202: ok 255 # molecule passed tests
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202: ok 260 # molecule passed tests
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202: ok 263 # molecule passed tests
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202: ok 265 # molecule passed tests
202: ok 266 # molecule passed tests
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202: 1..272
201/223 Test #201: test_ringtest_1 ..................   Passed    0.99 sec
202/223 Test #202: test_smartstest_1 ................   Passed    0.98 sec
203/223 Test #204: test_smilesmatch_1 ...............   Passed    0.95 sec
test 205
        Start 205: test_unitcell_1
205: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "unitcell" "1"
205: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
205: Environment variables: 
205:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
205:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
205: Test timeout computed to be: 1500
test 206
        Start 206: test_cmlreadfile_1
206: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cmlreadfile" "1"
206: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
206: Environment variables: 
206:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
206:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
206: Test timeout computed to be: 1500
test 207
        Start 207: inchiSamples.sdf_Test
207: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf.txt"
207: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
207: Environment variables: 
207:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
207:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
207: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ikt_tlf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ikw_6bu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5il8_6bx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ili_3fx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ilj_btb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ilw_uri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ily_dpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ime_6bz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5imp_jf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5imx_cz4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5in9_6c0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5io7_d12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ioy_6c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ioz_6c4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ip6_6c9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ipa_6c8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ipc_6ce.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ipe_6cg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ipj_6cd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ipz_6cc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5irq_6d7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5irq_7d6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iru_b9p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5irv_6d8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5irw_d9p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5is4_6ly.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5is5_6cy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5is6_pg4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5is7_dsh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5is8_6d1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5is9_6d3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isa_6d5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isb_6cx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isc_6d0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isd_6cz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ise_6d2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isf_6d4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isg_6d6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ish_765.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ivv_6en.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j7h_6gy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j7q_6h2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j82_6gv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j86_6gw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j89_6gx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j8l_tgj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j8o_6gz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j8z_fc4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j95_6hh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j9f_83a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j9m_6hd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j9n_6h9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j9o_6h8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ja3_u06.sdf
205: # Testing unit cell transformations ...
205: 1..12
205: ok 1 # a distance
205: ok 2 # b distance
205: ok 3 # c distance
205: ok 4 # alpha angle
205: ok 5 # beta angle
205: ok 6 # gamma angle
205: ok 7 # a distance
205: ok 8 # b distance
205: ok 9 # c distance
205: ok 10 # a angle
205: ok 11 # beta angle
205: ok 12 # gamma angle
205: # Testing unit cell coordinate functions ...
205: 13..24
205: ok 13 # wrapped cartesian x
205: ok 14 # wrapped cartesian y
205: ok 15 # wrapped cartesian z
205: ok 16 # wrapped fractional x
205: ok 17 # wrapped fractional y
205: ok 18 # wrapped fractional z
205: ok 19 # cart2frac x
205: ok 20 # cart2frac y
205: ok 21 # cart2frac z
205: ok 22 # frac2cart x
205: ok 23 # frac2cart y
205: ok 24 # frac2cart z
205: # cell volume 45.64
205: # lattice type 2
205: # cell volume 45.64
205: # lattice type 2
204/223 Test #205: test_unitcell_1 ..................   Passed    0.05 sec
test 208
        Start 208: inchiSamplesTechMan.sdf_Test
208: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf.txt"
208: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
208: Environment variables: 
208:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
208:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
208: Test timeout computed to be: 1500
206: # Unit tests for OBMol 
206: ok 1
206: ok 2!
206: ok 3!
206: ok 4!
206: ok 5!
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jah_6hq.sdf
206: 1..5
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jal_6ho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jan_6hp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jao_6hx.sdf
205/223 Test #206: test_cmlreadfile_1 ...............   Passed    0.08 sec
test 209
        Start 209: inchiSteffen_PubChem.smi_Test
209: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Steffen_PubChem.smi" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Steffen_PubChem.smi.txt"
209: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
209: Environment variables: 
209:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
209:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
209: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jap_6hz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jar_6hv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jas_6hw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jat_6hr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jau_6hu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jaz_lc5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jbi_6j8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jc1_6jb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jcb_nv4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jcm_isd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jct_6jq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jcu_gvx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jd7_6jr.sdf
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   2Ferrocene :Accepted unusual valence(s): Fe(10); C(5); C-1(4);
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jdg_mys.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jeb_6js.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf2_sf7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf3_sf5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf4_6jt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf5_7jt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf7_6ju.sdf
208: ==============================
208: *** Open Babel Warning  in InChI code
208:   Table04 :Salt was disconnected;
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfo_6ka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfp_6kk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfr_6kp.sdf
208: ==============================
208: *** Open Babel Warning  in InChI code
208:   Table09 :Ambiguous stereo: center(s);
209: ==============================
209: *** Open Babel Warning  in InChI code
209:   #6 :Accepted unusual valence(s): C(3);
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfs_6k0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfv_6k1.sdf
209: ==============================
209: *** Open Babel Warning  in InChI code
209:   #8 :Salt was disconnected;
208: ==============================
208: *** Open Babel Warning  in InChI code
208:   Table10 :Ambiguous stereo: center(s)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfw_6k2.sdf
208: 1..44
208:  # molecules converted
208: ok 1 # InChI matched expected
208: ok 2 # InChI matched expected
208: ok 3 # InChI matched expected
208: ok 4 # InChI matched expected
208: ok 5 # InChI matched expected
208: ok 6 # InChI matched expected
208: ok 7 # InChI matched expected
208: ok 8 # InChI matched expected
208: ok 9 # InChI matched expected
208: ok 10 # InChI matched expected
208: ok 11 # InChI matched expected
208: ok 12 # InChI matched expected
208: ok 13 # InChI matched expected
208: ok 14 # InChI matched expected
208: ok 15 # InChI matched expected
208: ok 16 # InChI matched expected
208: ok 17 # InChI matched expected
208: ok 18 # InChI matched expected
208: ok 19 # InChI matched expected
208: ok 20 # InChI matched expected
208: ok 21 # InChI matched expected
208: ok 22 # InChI matched expected
208: ok 23 # InChI matched expected
208: ok 24 # InChI matched expected
208: ok 25 # InChI matched expected
208: ok 26 # ignored empty InChI
208: ok 27 # InChI matched expected
208: ok 28 # InChI matched expected
208: ok 29 # ignored empty InChI
208: ok 30 # InChI matched expected
208: ok 31 # ignored empty InChI
208: ok 32 # InChI matched expected
208: ok 33 # InChI matched expected
208: ok 34 # ignored empty InChI
208: ok 35 # InChI matched expected
208: ok 36 # InChI matched expected
208: ok 37 # InChI matched expected
208: ok 38 # InChI matched expected
208: ok 39 # ignored empty InChI
208: ok 40 # InChI matched expected
208: ok 41 # InChI matched expected
208: ok 42 # ignored empty InChI
208: ok 43 # ignored empty InChI
208: ok 44 # ignored empty InChI
208: 36 molecules compared
208: # 8 # empty molecules skipped
208: 0 failures
209: ==============================
209: *** Open Babel Warning  in InChI code
209:   #30 :Salt was disconnected;
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfx_6k4.sdf
206/223 Test #208: inchiSamplesTechMan.sdf_Test .....   Passed    0.12 sec
test 210
        Start 210: pytest_babel
210: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_babel.cmake"
210: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
210: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jg0_uc9.sdf
209: 1..34
209:  # molecules converted
209: ok 1 # InChI matched expected
209: ok 2 # InChI matched expected
209: ok 3 # InChI matched expected
209: ok 4 # InChI matched expected
209: ok 5 # InChI matched expected
209: ok 6 # InChI matched expected
209: ok 7 # InChI matched expected
209: ok 8 # InChI matched expected
209: ok 9 # InChI matched expected
209: ok 10 # InChI matched expected
209: ok 11 # InChI matched expected
209: ok 12 # InChI matched expected
209: ok 13 # InChI matched expected
209: ok 14 # InChI matched expected
209: ok 15 # InChI matched expected
209: ok 16 # InChI matched expected
209: ok 17 # InChI matched expected
209: ok 18 # InChI matched expected
209: ok 19 # InChI matched expected
209: ok 20 # InChI matched expected
209: ok 21 # InChI matched expected
209: ok 22 # InChI matched expected
209: ok 23 # InChI matched expected
209: ok 24 # InChI matched expected
209: ok 25 # InChI matched expected
209: ok 26 # InChI matched expected
209: ok 27 # InChI matched expected
209: ok 28 # InChI matched expected
209: ok 29 # InChI matched expected
209: ok 30 # InChI matched expected
209: ok 31 # InChI matched expected
209: ok 32 # InChI matched expected
209: ok 33 # InChI matched expected
209: ok 34 # InChI matched expected
209: 34 molecules compared
209: # 0 # empty molecules skipped
209: 0 failures
207/223 Test #209: inchiSteffen_PubChem.smi_Test ....   Passed    0.09 sec
test 211
        Start 211: pytest_sym
211: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_sym.cmake"
211: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
211: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jg1_6kr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgd_6kd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgm_810.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgo_6jx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgq_6jy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jha_6k7.sdf
210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   cancel_charges :Charges neutralized
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   cuneane :Ambiguous stereo: center(s)
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   trad :Accepted unusual valence(s): O-1,d(2); H,t(1)
207: 1..41
207:  # molecules converted
207: ok 1 # InChI matched expected
207: ok 2 # InChI matched expected
207: ok 3 # InChI matched expected
207: ok 4 # InChI matched expected
207: ok 5 # InChI matched expected
207: ok 6 # InChI matched expected
207: ok 7 # InChI matched expected
207: ok 8 # InChI matched expected
207: ok 9 # InChI matched expected
207: ok 10 # ignored empty InChI
207: ok 11 # ignored empty InChI
207: ok 12 # ignored empty InChI
207: ok 13 # InChI matched expected
207: ok 14 # InChI matched expected
207: ok 15 # InChI matched expected
207: ok 16 # InChI matched expected
207: ok 17 # InChI matched expected
207: ok 18 # InChI matched expected
207: ok 19 # InChI matched expected
207: ok 20 # InChI matched expected
207: ok 21 # InChI matched expected
207: ok 22 # InChI matched expected
207: ok 23 # InChI matched expected
207: ok 24 # InChI matched expected
207: ok 25 # InChI matched expected
207: ok 26 # InChI matched expected
207: ok 27 # ignored empty InChI
207: ok 28 # ignored empty InChI
207: ok 29 # InChI matched expected
207: ok 30 # InChI matched expected
207: ok 31 # InChI matched expected
207: ok 32 # InChI matched expected
207: ok 33 # InChI matched expected
207: ok 34 # InChI matched expected
207: ok 35 # InChI matched expected
207: ok 36 # InChI matched expected
207: ok 37 # InChI matched expected
207: ok 38 # InChI matched expected
207: ok 39 # InChI matched expected
207: ok 40 # InChI matched expected
207: ok 41 # InChI matched expected
207: 36 molecules compared
207: # 5 # empty molecules skipped
207: 0 failures
208/223 Test #207: inchiSamples.sdf_Test ............   Passed    0.28 sec
test 212
        Start 212: pytest_smartssym
212: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_smartssym.cmake"
212: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
212: Test timeout computed to be: 1500
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhb_6k5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhh_ra0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhk_6k8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhu_6ko.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ji6_6kn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jib_oia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jic_n7e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jid_8pf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jix_6j7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jiz_6fw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jjr_68e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jjs_6l2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jkg_6lf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jlj_6l8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jm5_6lg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmn_ete.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmp_lc7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmw_l50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmx_dz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmy_6ld.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eim_b6e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eks_g39.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6en5_bj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6enc_bgw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6end_bgk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6enx_bjw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eo0_bvt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eo9_2oj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eqp_buw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eqq_h19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6equ_bve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6esy_tfx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6euv_21g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eux_byb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eva_4mj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6evd_byn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6evf_4lu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6ezq_c7k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6std_ms2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6upj_niu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7cpa_fvf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7enl_2pg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7gch_lpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7std_crp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7upj_inu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/830c_rs1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8a3h_idc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8acn_nic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cho_p4c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cpa_agf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cpp_tcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8ico_azt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8mht_du.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/966c_rs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/9rsa_adu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/9xim_xls.sdf
209/223 Test  #59: test_addh_1 ......................   Passed   18.22 sec
test 213
        Start 213: pytest_fastsearch
213: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_fastsearch.cmake"
213: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
213: Test timeout computed to be: 1500
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:1: SyntaxWarning: invalid escape sequence '\P'
213:   """Test OpenBabel executables from Python
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:30: SyntaxWarning: invalid escape sequence '\C'
213:   smiles = """C12(C(N(C(=O)C)c3c2cccc3)=O)Nc2c(ccc(c2N1)OCCCC)OCCCC
213: .
213: ----------------------------------------------------------------------
213: Ran 1 test in 0.176s
213: 
213: OK
213: 
210/223 Test #213: pytest_fastsearch ................   Passed    0.36 sec
test 214
        Start 214: pytest_distgeom
214: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_distgeom.cmake"
214: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
214: Test timeout computed to be: 1500
214: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsmartssym.py:1: SyntaxWarning: invalid escape sequence '\P'
212:   """Test OpenBabel executables from Python
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
212:   """Test OpenBabel executables from Python
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
212:   pat = "(-?\d.*) molecule(?:s?) converted"
212: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
212: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stdout = io.open(c2pread, 'rb', bufsize)
212: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stderr = io.open(errread, 'rb', bufsize)
212: ....
212: ----------------------------------------------------------------------
212: Ran 4 tests in 2.515s
212: 
212: OK
212: 
211/223 Test #212: pytest_smartssym .................   Passed    2.82 sec
test 215
        Start 215: pytest_unique
215: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_unique.cmake"
215: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
215: Test timeout computed to be: 1500
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:1: SyntaxWarning: invalid escape sequence '\P'
215:   """Test OpenBabel executables from Python
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:26: SyntaxWarning: invalid escape sequence '\F'
215:   self.smiles = """C	methane
215: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
215:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
215: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
215:   self.stdout = io.open(c2pread, 'rb', bufsize)
215: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
215:   self.stderr = io.open(errread, 'rb', bufsize)
215: .
215: ----------------------------------------------------------------------
215: Ran 1 test in 0.793s
215: 
215: OK
215: 
212/223 Test #215: pytest_unique ....................   Passed    0.98 sec
test 216
        Start 216: pytest_kekule
216: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_kekule.cmake"
216: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
216: Test timeout computed to be: 1500
216: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
216: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testkekule.py:1: SyntaxWarning: invalid escape sequence '\P'
216:   """Test OpenBabel executables from Python
216: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
216: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stdout = io.open(c2pread, 'rb', bufsize)
216: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stderr = io.open(errread, 'rb', bufsize)
216: ...
216: ----------------------------------------------------------------------
216: Ran 3 tests in 1.498s
216: 
216: OK
216: 
213/223 Test #216: pytest_kekule ....................   Passed    1.69 sec
test 217
        Start 217: pytest_pdbformat
217: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_pdbformat.cmake"
217: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
217: Test timeout computed to be: 1500
217: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
217: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpdbformat.py:1: SyntaxWarning: invalid escape sequence '\P'
217:   """Test OpenBabel executables from Python
217: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
217:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
217: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
217:   self.stdout = io.open(c2pread, 'rb', bufsize)
217: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
217:   self.stderr = io.open(errread, 'rb', bufsize)
217: .
217: ----------------------------------------------------------------------
217: Ran 1 test in 0.107s
217: 
217: OK
217: 
214/223 Test #217: pytest_pdbformat .................   Passed    0.28 sec
test 218
        Start 218: pytest_RInChI
218: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_RInChI.cmake"
218: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
218: Test timeout computed to be: 1500
218: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
210:   """Test OpenBabel executables from Python
210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
210:   pat = "(-?\d.*) molecule(?:s?) converted"
210: ......./usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
210: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stdout = io.open(c2pread, 'rb', bufsize)
210: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stderr = io.open(errread, 'rb', bufsize)
210: ......
210: ----------------------------------------------------------------------
210: Ran 13 tests in 8.132s
210: 
210: OK
210: 
215/223 Test #210: pytest_babel .....................   Passed    8.53 sec
test 219
        Start 219: pybindtest__pybel
219: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest__pybel.cmake"
219: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
219: Test timeout computed to be: 1500
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/test_pybel.py:1: SyntaxWarning: invalid escape sequence '\P'
219:   """Test OpenBabel Python bindings
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbindings.py:1: SyntaxWarning: invalid escape sequence '\P'
219:   """Test OpenBabel Python bindings
219: .........................==============================
219: *** Open Babel Warning  in WriteMolecule
219:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
219: .....==============================
219: *** Open Babel Error  in SMARTSError
219:   SMARTS Error:
219: [#NOEL][#NOEL]
219:   ^
219: 
219: ....
219: ----------------------------------------------------------------------
219: Ran 34 tests in 0.521s
219: 
219: OK
219: 
216/223 Test #219: pybindtest__pybel ................   Passed    1.14 sec
test 220
        Start 220: pybindtest_example
220: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_example.cmake"
220: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
220: Test timeout computed to be: 1500
220: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
220: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testexample.py:1: SyntaxWarning: invalid escape sequence '\P'
220:   """Example test that uses the OpenBabel Python bindings
220: ..
220: ----------------------------------------------------------------------
220: Ran 2 tests in 0.001s
220: 
220: OK
220: 
217/223 Test #220: pybindtest_example ...............   Passed    0.27 sec
test 221
        Start 221: pybindtest_cdjsonformat
221: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_cdjsonformat.cmake"
221: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
221: Test timeout computed to be: 1500
221: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
221: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testcdjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
221:   """Test ChemDoodle JSON format using the OpenBabel Python bindings
221: ..........
221: ----------------------------------------------------------------------
221: Ran 10 tests in 0.014s
221: 
221: OK
221: 
218/223 Test #221: pybindtest_cdjsonformat ..........   Passed    0.31 sec
test 222
        Start 222: pybindtest_pcjsonformat
222: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_pcjsonformat.cmake"
222: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
222: Test timeout computed to be: 1500
222: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
218: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testRInChI.py:1: SyntaxWarning: invalid escape sequence '\P'
218:   """Test OpenBabel executables from Python
218: ..
218: ----------------------------------------------------------------------
218: Ran 2 tests in 4.319s
218: 
218: OK
218: 
219/223 Test #218: pytest_RInChI ....................   Passed    4.62 sec
test 223
        Start 223: pybindtest_roundtrip
223: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_roundtrip.cmake"
223: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
223: Test timeout computed to be: 1500
223: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
222: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpcjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
222:   """Test PubChem JSON format using the OpenBabel Python bindings
222: .................
222: ----------------------------------------------------------------------
222: Ran 17 tests in 0.076s
222: 
222: OK
222: 
220/223 Test #222: pybindtest_pcjsonformat ..........   Passed    0.36 sec
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:1: SyntaxWarning: invalid escape sequence '\P'
211:   """Test OpenBabel executables from Python
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:97: SyntaxWarning: invalid escape sequence '\C'
211:   "C(=C\C=C/Br)/Cl",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:98: SyntaxWarning: invalid escape sequence '\B'
211:   "Cl/C=C/C=C\Br",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:99: SyntaxWarning: invalid escape sequence '\C'
211:   "Br/C=C\C=C\Cl",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:100: SyntaxWarning: invalid escape sequence '\C'
211:   "C(=C\Cl)/C=C\Br",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:101: SyntaxWarning: invalid escape sequence '\C'
211:   "C(=C\C=C\Cl)\Br",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:102: SyntaxWarning: invalid escape sequence '\B'
211:   "C(=C\Br)\C=C\Cl"
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:343: SyntaxWarning: invalid escape sequence '\C'
211:   test_smiles = "C=C\C=C/c1ccccc1"
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
211:   """Test OpenBabel executables from Python
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
211:   pat = "(-?\d.*) molecule(?:s?) converted"
211: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
211: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stdout = io.open(c2pread, 'rb', bufsize)
211: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stderr = io.open(errread, 'rb', bufsize)
211: ..........................
211: ----------------------------------------------------------------------
211: Ran 26 tests in 11.037s
211: 
211: OK
211: 
221/223 Test #211: pytest_sym .......................   Passed   11.43 sec
214: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testdistgeom.py:1: SyntaxWarning: invalid escape sequence '\P'
214:   """Test OpenBabel executables from Python
214: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
214: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stdout = io.open(c2pread, 'rb', bufsize)
214: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stderr = io.open(errread, 'rb', bufsize)
214: .
214: ----------------------------------------------------------------------
214: Ran 1 test in 97.742s
214: 
214: OK
214: 
222/223 Test #214: pytest_distgeom ..................   Passed   97.90 sec
223: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testroundtrip.py:1: SyntaxWarning: invalid escape sequence '\P'
223:   """Test the ability of openbabel to roundtrip various properties
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: /usr/lib64/python3.13/multiprocessing/pool.py:268: ResourceWarning: unclosed running multiprocessing pool <multiprocessing.pool.Pool state=RUN pool_size=1>
223:   _warn(f"unclosed running multiprocessing pool {self!r}",
223: ResourceWarning: Enable tracemalloc to get the object allocation traceback
223: .
223: ----------------------------------------------------------------------
223: Ran 1 test in 269.282s
223: 
223: OK
223: 
223/223 Test #223: pybindtest_roundtrip .............   Passed  269.56 sec
The following tests passed:
	test_align_1
	test_align_2
	test_align_3
	test_automorphism_1
	test_alias_1
	test_automorphism_2
	test_automorphism_3
	test_automorphism_4
	test_automorphism_6
	test_automorphism_5
	test_automorphism_7
	test_automorphism_8
	test_automorphism_9
	test_automorphism_10
	test_builder_3
	test_builder_4
	test_builder_5
	test_builder_6
	test_canonconsistent_2
	test_canonconsistent_3
	test_canonfragment_1
	test_builder_2
	test_canonconsistent_1
	test_carspacegroup_1
	test_carspacegroup_2
	test_carspacegroup_3
	test_carspacegroup_4
	test_cifspacegroup_1
	test_cifspacegroup_3
	test_cifspacegroup_2
	test_cifspacegroup_4
	test_cifspacegroup_5
	test_cifspacegroup_6
	test_cifspacegroup_7
	test_cifspacegroup_8
	test_cifspacegroup_9
	test_cifspacegroup_10
	test_cifspacegroup_11
	test_cifspacegroup_12
	test_cistrans_1
	test_cistrans_2
	test_cistrans_3
	test_cistrans_4
	test_cistrans_5
	test_cifspacegroup_13
	test_cistrans_6
	test_cistrans_7
	test_cistrans_8
	test_cistrans_9
	test_conversion_1
	test_graphsym_1
	test_graphsym_2
	test_graphsym_4
	test_graphsym_3
	test_graphsym_5
	test_gzip_1
	test_implicitH_1
	test_lssr_1
	test_builder_1
	test_lssr_2
	test_lssr_3
	test_lssr_5
	test_isomorphism_1
	test_isomorphism_2
	test_isomorphism_3
	test_isomorphism_4
	test_isomorphism_5
	test_isomorphism_6
	test_lssr_4
	test_isomorphism_7
	test_isomorphism_8
	test_isomorphism_9
	test_periodic_1
	test_periodic_2
	test_multicml_1
	test_periodic_4
	test_periodic_3
	test_regressions_221
	test_regressions_1
	test_regressions_222
	test_regressions_223
	test_regressions_224
	test_regressions_225
	test_regressions_226
	test_regressions_227
	test_regressions_240
	test_regressions_228
	test_regressions_241
	test_regressions_242
	test_regressions_2111
	test_rotor_1
	test_regressions_1794
	test_rotor_3
	test_rotor_2
	test_rotor_4
	test_shuffle_1
	test_shuffle_2
	test_shuffle_4
	test_shuffle_3
	test_smiles_1
	test_canonstable_1
	test_smiles_2
	test_smiles_3
	test_spectrophore_2
	test_spectrophore_3
	test_spectrophore_4
	test_shuffle_5
	test_squareplanar_1
	test_squareplanar_2
	test_squareplanar_3
	test_squareplanar_4
	test_squareplanar_5
	test_spectrophore_5
	test_stereo_1
	test_stereo_2
	test_stereo_3
	test_stereo_4
	test_stereo_5
	test_stereoperception_1
	test_stereoperception_2
	test_stereoperception_3
	test_stereo_6
	test_stereoperception_4
	test_tautomer_1
	test_tautomer_2
	test_tautomer_4
	test_tautomer_3
	test_spectrophore_1
	test_tautomer_5
	test_tautomer_6
	test_tautomer_7
	test_tautomer_8
	test_tautomer_9
	test_tautomer_10
	test_tautomer_11
	test_tautomer_12
	test_tautomer_13
	test_tautomer_14
	test_tautomer_15
	test_tautomer_16
	test_tautomer_17
	test_tautomer_18
	test_tautomer_19
	test_tautomer_20
	test_tautomer_21
	test_tautomer_22
	test_tautomer_23
	test_tautomer_24
	test_tautomer_25
	test_tautomer_26
	test_tetrahedral_1
	test_tautomer_27
	test_tetrahedral_2
	test_tetrahedral_3
	test_tetrahedral_4
	test_tetrahedral_5
	test_tetranonplanar_1
	test_tautomer_28
	test_tetraplanar_1
	test_uniqueid_1
	test_uniqueid_2
	test_atom_1
	test_atom_2
	test_atom_3
	test_atom_4
	test_bond_1
	test_aromatest_1
	test_charge_gasteiger_1
	test_datatest_1
	test_charge_mmff94_1
	test_cansmi_1
	test_ffgaff_1
	test_ffmmff94_2
	test_ffmmff94_1
	test_ffghemical_1
	test_ffmmff94_4
	test_ffmmff94_6
	test_ffmmff94_3
	test_formalcharge_1
	test_format_1
	test_ffuff_1
	test_internalcoord_1
	test_formula_1
	test_invalidsmarts_1
	test_invalidsmiles_1
	test_logp_psa_1
	test_iterators_1
	test_ffmmff94_5
	test_math_1
	test_math_2
	test_math_3
	test_mol_1
	test_pdbreadfile_1
	test_math_4
	test_pdbreadfile_2
	test_pdbreadfile_3
	test_pdbreadfile_4
	test_phmodel_1
	test_residue_1
	test_smartsparse_1
	test_ringtest_1
	test_smartstest_1
	test_smilesmatch_1
	test_unitcell_1
	test_cmlreadfile_1
	inchiSamplesTechMan.sdf_Test
	inchiSteffen_PubChem.smi_Test
	inchiSamples.sdf_Test
	test_addh_1
	pytest_fastsearch
	pytest_smartssym
	pytest_unique
	pytest_kekule
	pytest_pdbformat
	pytest_babel
	pybindtest__pybel
	pybindtest_example
	pybindtest_cdjsonformat
	pytest_RInChI
	pybindtest_pcjsonformat
	pytest_sym
	pytest_distgeom
	pybindtest_roundtrip
100% tests passed, 0 tests failed out of 223
Total Test time (real) = 299.61 sec
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: openbabel-3.1.1-33.fc42.x86_64
warning: File listed twice: /usr/lib/.build-id/f8/03f907b5288e7b1eaeda9d38551e49437e878d
Provides: config(openbabel) = 3.1.1-33.fc42 openbabel = 3.1.1-33.fc42 openbabel(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-devel-3.1.1-33.fc42.x86_64
Provides: cmake(OpenBabel3) = 3.1.1 cmake(openbabel3) = 3.1.1 openbabel-devel = 3.1.1-33.fc42 openbabel-devel(x86-64) = 3.1.1-33.fc42 pkgconfig(openbabel-3) = 3.1.1
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/pkg-config cmake-filesystem(x86-64) libopenbabel.so.7()(64bit)
Processing files: openbabel-doc-3.1.1-33.fc42.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.cIDJkg
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/FAQ.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OBTwoMigration.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OpenBabelGUI.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-footer.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-header.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.povray /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.inc /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.mol2 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: openbabel-doc = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-gui-3.1.1-33.fc42.x86_64
Provides: application() application(obgui.desktop) openbabel-gui = 3.1.1-33.fc42 openbabel-gui(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libwx_baseu-3.2.so.0()(64bit) libwx_baseu-3.2.so.0(WXU_3.2)(64bit) libwx_gtk3u_core-3.2.so.0()(64bit) libwx_gtk3u_core-3.2.so.0(WXU_3.2)(64bit) rtld(GNU_HASH)
Processing files: openbabel-libs-3.1.1-33.fc42.x86_64
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.N0Rq4F
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/THANKS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/AUTHORS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/authors.txt /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/README.md /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.86bpQT
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ LICENSEDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/COPYING /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: libopenbabel.so.7()(64bit) openbabel-libs = 3.1.1-33.fc42 openbabel-libs(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libcairo.so.2()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libinchi.so.1()(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libm.so.6(GLIBC_2.29)(64bit) libm.so.6(GLIBC_2.38)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.7)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.26)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.5)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libxml2.so.2()(64bit) libxml2.so.2(LIBXML2_2.4.30)(64bit) libxml2.so.2(LIBXML2_2.5.0)(64bit) libxml2.so.2(LIBXML2_2.6.0)(64bit) libxml2.so.2(LIBXML2_2.6.5)(64bit) libz.so.1()(64bit) rtld(GNU_HASH)
Processing files: perl-openbabel-3.1.1-33.fc42.x86_64
Provides: perl(Chemistry::OpenBabel) perl(Chemistry::OpenBabel::AliasData) perl(Chemistry::OpenBabel::CharPtrLess) perl(Chemistry::OpenBabel::Dummy) perl(Chemistry::OpenBabel::LineSearchType) perl(Chemistry::OpenBabel::OBAngle) perl(Chemistry::OpenBabel::OBAngleData) perl(Chemistry::OpenBabel::OBAtom) perl(Chemistry::OpenBabel::OBAtomAtomIter) perl(Chemistry::OpenBabel::OBAtomBondIter) perl(Chemistry::OpenBabel::OBAtomHOF) perl(Chemistry::OpenBabel::OBAtomicHeatOfFormationTable) perl(Chemistry::OpenBabel::OBBase) perl(Chemistry::OpenBabel::OBBitVec) perl(Chemistry::OpenBabel::OBBond) perl(Chemistry::OpenBabel::OBBuilder) perl(Chemistry::OpenBabel::OBCommentData) perl(Chemistry::OpenBabel::OBConformerData) perl(Chemistry::OpenBabel::OBConversion) perl(Chemistry::OpenBabel::OBDOSData) perl(Chemistry::OpenBabel::OBDescriptor) perl(Chemistry::OpenBabel::OBElectronicTransitionData) perl(Chemistry::OpenBabel::OBError) perl(Chemistry::OpenBabel::OBExternalBond) perl(Chemistry::OpenBabel::OBExternalBondData) perl(Chemistry::OpenBabel::OBFFCalculation2) perl(Chemistry::OpenBabel::OBFFCalculation3) perl(Chemistry::OpenBabel::OBFFCalculation4) perl(Chemistry::OpenBabel::OBFFConstraint) perl(Chemistry::OpenBabel::OBFFConstraints) perl(Chemistry::OpenBabel::OBFFParameter) perl(Chemistry::OpenBabel::OBFingerprintIter) perl(Chemistry::OpenBabel::OBForceField) perl(Chemistry::OpenBabel::OBFormat) perl(Chemistry::OpenBabel::OBFreeGrid) perl(Chemistry::OpenBabel::OBFreeGridPoint) perl(Chemistry::OpenBabel::OBGenericData) perl(Chemistry::OpenBabel::OBGlobalDataBase) perl(Chemistry::OpenBabel::OBGridData) perl(Chemistry::OpenBabel::OBInternalCoord) perl(Chemistry::OpenBabel::OBMatrixData) perl(Chemistry::OpenBabel::OBMessageHandler) perl(Chemistry::OpenBabel::OBMol) perl(Chemistry::OpenBabel::OBMolAngleIter) perl(Chemistry::OpenBabel::OBMolAtomBFSIter) perl(Chemistry::OpenBabel::OBMolAtomDFSIter) perl(Chemistry::OpenBabel::OBMolAtomIter) perl(Chemistry::OpenBabel::OBMolBondBFSIter) perl(Chemistry::OpenBabel::OBMolBondIter) perl(Chemistry::OpenBabel::OBMolPairIter) perl(Chemistry::OpenBabel::OBMolRingIter) perl(Chemistry::OpenBabel::OBMolTorsionIter) perl(Chemistry::OpenBabel::OBOp) perl(Chemistry::OpenBabel::OBOrbital) perl(Chemistry::OpenBabel::OBOrbitalData) perl(Chemistry::OpenBabel::OBPairData) perl(Chemistry::OpenBabel::OBPcharge) perl(Chemistry::OpenBabel::OBPlugin) perl(Chemistry::OpenBabel::OBRTree) perl(Chemistry::OpenBabel::OBResidue) perl(Chemistry::OpenBabel::OBResidueAtomIter) perl(Chemistry::OpenBabel::OBResidueData) perl(Chemistry::OpenBabel::OBResidueIter) perl(Chemistry::OpenBabel::OBRing) perl(Chemistry::OpenBabel::OBRingData) perl(Chemistry::OpenBabel::OBRingSearch) perl(Chemistry::OpenBabel::OBRotamerList) perl(Chemistry::OpenBabel::OBRotationData) perl(Chemistry::OpenBabel::OBRotor) perl(Chemistry::OpenBabel::OBRotorKeys) perl(Chemistry::OpenBabel::OBRotorList) perl(Chemistry::OpenBabel::OBRotorRule) perl(Chemistry::OpenBabel::OBRotorRules) perl(Chemistry::OpenBabel::OBSSMatch) perl(Chemistry::OpenBabel::OBSerialNums) perl(Chemistry::OpenBabel::OBSetData) perl(Chemistry::OpenBabel::OBSmartsMatcher) perl(Chemistry::OpenBabel::OBSmartsPattern) perl(Chemistry::OpenBabel::OBSqrtTbl) perl(Chemistry::OpenBabel::OBStopwatch) perl(Chemistry::OpenBabel::OBSymmetryData) perl(Chemistry::OpenBabel::OBTorsion) perl(Chemistry::OpenBabel::OBTorsionData) perl(Chemistry::OpenBabel::OBTypeTable) perl(Chemistry::OpenBabel::OBUnitCell) perl(Chemistry::OpenBabel::OBVectorData) perl(Chemistry::OpenBabel::OBVibrationData) perl(Chemistry::OpenBabel::OBVirtualBond) perl(Chemistry::OpenBabel::VectorDouble) perl(Chemistry::OpenBabel::VectorInt) perl(Chemistry::OpenBabel::VectorOBBond) perl(Chemistry::OpenBabel::VectorOBMol) perl(Chemistry::OpenBabel::VectorOBResidue) perl(Chemistry::OpenBabel::VectorOBRing) perl(Chemistry::OpenBabel::VectorString) perl(Chemistry::OpenBabel::VectorUnsignedInt) perl(Chemistry::OpenBabel::VectorVInt) perl(Chemistry::OpenBabel::VectorVector3) perl(Chemistry::OpenBabel::VectorpOBGenericData) perl(Chemistry::OpenBabel::VectorpOBRing) perl(Chemistry::OpenBabel::_OBAtomAtomIter) perl(Chemistry::OpenBabel::_OBAtomBondIter) perl(Chemistry::OpenBabel::_OBMolAngleIter) perl(Chemistry::OpenBabel::_OBMolAtomBFSIter) perl(Chemistry::OpenBabel::_OBMolAtomDFSIter) perl(Chemistry::OpenBabel::_OBMolAtomIter) perl(Chemistry::OpenBabel::_OBMolBondIter) perl(Chemistry::OpenBabel::_OBMolPairIter) perl(Chemistry::OpenBabel::_OBMolRingIter) perl(Chemistry::OpenBabel::_OBMolTorsionIter) perl(Chemistry::OpenBabel::_OBResidueAtomIter) perl(Chemistry::OpenBabel::matrix3x3) perl(Chemistry::OpenBabel::obLogBuf) perl(Chemistry::OpenBabel::rotor_digit) perl(Chemistry::OpenBabel::stringbuf) perl(Chemistry::OpenBabel::vector3) perl(Chemistry::OpenBabelc) perl-openbabel = 3.1.1-33.fc42 perl-openbabel(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libopenbabel.so.7()(64bit) libperl.so.5.40()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) perl(:MODULE_COMPAT_5.40.1) perl(DynaLoader) perl(Exporter) perl(base) perl(overload) perl(vars) perl-libs rtld(GNU_HASH)
Processing files: python3-openbabel-3.1.1-33.fc42.x86_64
Provides: python-openbabel = 3.1.1-33.fc42 python3-openbabel = 3.1.1-33.fc42 python3-openbabel(x86-64) = 3.1.1-33.fc42 python3.13-openbabel = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libopenbabel.so.7()(64bit) libpython3.13.so.1.0()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) python(abi) = 3.13 rtld(GNU_HASH)
Obsoletes: python-openbabel < 3.1.1-33.fc42 python2-openbabel < 0:3.1.1-33.fc42
Processing files: ruby-openbabel-3.1.1-33.fc42.x86_64
Provides: ruby-openbabel = 3.1.1-33.fc42 ruby-openbabel(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libopenbabel.so.7()(64bit) libruby.so.3.4()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-debugsource-3.1.1-33.fc42.x86_64
Provides: openbabel-debugsource = 3.1.1-33.fc42 openbabel-debugsource(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-debuginfo-3.1.1-33.fc42.x86_64
Provides: debuginfo(build-id) = 033694f7035970e6b872564b4365f87ba596166f debuginfo(build-id) = 04f0108eca45d09f350df649823a0c1a079fb16c debuginfo(build-id) = 063b5cfce635c9673d25ca142539eafe2a426eff debuginfo(build-id) = 0dad00122e960a483d1461e6b5bf2408044f129f debuginfo(build-id) = 0e6f5df043120814d085eaa21dea149779417a74 debuginfo(build-id) = 11e8fbbe39ae051cfdb015c569658058abb7f993 debuginfo(build-id) = 1b1f6472e0953a08c728281de1163601276b37f9 debuginfo(build-id) = 38b7b1ce0f0b0a6d569d37e0172d8f24e890c25b debuginfo(build-id) = 3ebace3588f8fceb04be8c7e26267917ea84bdfe debuginfo(build-id) = 4e3ce83ba550157a3d328e8d59a3312beda06bf8 debuginfo(build-id) = 4fb653c38f613b9458e8f69c829a0b9d1debeeba debuginfo(build-id) = 727d70e06f2247b03e9ad22587c77e163d8e0b95 debuginfo(build-id) = 8172c9f2546342b73f428896737ef5eafce38044 debuginfo(build-id) = 945ba17172234c4f863752856550326c452de172 debuginfo(build-id) = 969ef57b09e42a4a4d34aee8930500300a84e1bc debuginfo(build-id) = a22d66d851f2cbb4b5c0c7c0cecc48c04cf2f99b debuginfo(build-id) = a81c360b7106d56df7f3063dbcd8a2b6a44060cb debuginfo(build-id) = b503430c86cd6a87f62b3969d1e1c5ffe5bd5a05 debuginfo(build-id) = c79d200f03e4eb19df5b0ebd5bf0205b9afeaa5b debuginfo(build-id) = ec3ebd0ada10f4df6fd061fa17c9d6100f9c2a10 debuginfo(build-id) = f803f907b5288e7b1eaeda9d38551e49437e878d openbabel-debuginfo = 3.1.1-33.fc42 openbabel-debuginfo(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc42
Processing files: openbabel-gui-debuginfo-3.1.1-33.fc42.x86_64
Provides: debuginfo(build-id) = f803f907b5288e7b1eaeda9d38551e49437e878d openbabel-gui-debuginfo = 3.1.1-33.fc42 openbabel-gui-debuginfo(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc42
Processing files: openbabel-libs-debuginfo-3.1.1-33.fc42.x86_64
Provides: debuginfo(build-id) = 013fdf4a85cbc8af7c7e7fc6f0f90013e3e54301 debuginfo(build-id) = 07d3d823f6ab112e32b9f674ccb24413231a8e9e debuginfo(build-id) = 08bcf1ae234a07e0012426071514085689ce200b debuginfo(build-id) = 0aef7319c25555898999672e4219b400a06bc564 debuginfo(build-id) = 0bea8838cd39a63720a4909fa2c24d91802764e1 debuginfo(build-id) = 0e060f6ec019bb854e231a0043cdbc5fbc4e8c7c debuginfo(build-id) = 1ac51d7c443ebdbd97b619ac2e97ead0a7b2444f debuginfo(build-id) = 1e1d707d82f90e0e56eab9adbc9500a93fa1307b debuginfo(build-id) = 1ea405af0aff49c187dbc5b58a6806c956a0bb21 debuginfo(build-id) = 1ff1808d95540eaaed052fe615ec40034254142c debuginfo(build-id) = 20a036d4ae9ddbfc2453cd8f9efa821756aaf766 debuginfo(build-id) = 21603edba8bed1f25e48d9f27b1320e22acc80af debuginfo(build-id) = 26a7e17074592ab998ec1fa90098a44c86033901 debuginfo(build-id) = 2787ba0f59c01793299c809749bd3fc5cafafee5 debuginfo(build-id) = 2a295fa1c2ae1f00075ec1c771f58fb7421da094 debuginfo(build-id) = 2a8050150ffcfe873496982027eb56605c4807cb debuginfo(build-id) = 2be70924573ebfd5b2f66c6366b2c6edcd80666e debuginfo(build-id) = 2d702102988e0b2c6c3a94919062d1cbfcf5e104 debuginfo(build-id) = 31ae461c6e553f7fda573e2b2a7f5f1e472be717 debuginfo(build-id) = 31e496a12b7fb0041f4c4a96539163632fc1dfe2 debuginfo(build-id) = 33638f2ae2a5f1796293801af9997ec959aa05d4 debuginfo(build-id) = 352bc0f3714135dff0c447cda8c441cf30a2e10b debuginfo(build-id) = 38a1ce337e5c782b5dec09be6a018631019dddb9 debuginfo(build-id) = 3958abfdf93668cc0deaf016e852cd06e33132e7 debuginfo(build-id) = 39f8b84c839fbce6edf8f2f13524971750e4696c debuginfo(build-id) = 3f891f51ce1e38ea18955fab0e3cae220e27e474 debuginfo(build-id) = 3fe6ed9ecdad1ad324ad86f3ad958d0c16eb592b debuginfo(build-id) = 45cb369599e11fbfa0004dc2e6a59fca000b4493 debuginfo(build-id) = 471059db92bf34150975232baa019441e356f594 debuginfo(build-id) = 471ebd37eb1ed15fb64c06a17f3f2547f3656b13 debuginfo(build-id) = 48786307e23d02b53d90f0c8702af252b0482947 debuginfo(build-id) = 4885e31f7ae7f8137995d2c5e2922405420f20de debuginfo(build-id) = 4a54e26f062f7cbb65d4e703c156b5212e40bf8a debuginfo(build-id) = 4c684d2c35f18f335d61017038ffe281f8fc19d6 debuginfo(build-id) = 4f6b942d637c5f4520e2ac7ec5b5d1432a34f8e7 debuginfo(build-id) = 5021f83590a439bc5057f240cc040d7e084004f9 debuginfo(build-id) = 567e358168c5aad374f36194d1f9ade8d5e70fd9 debuginfo(build-id) = 5938caeee2d858933b4a48fc883a5f3eedcb7cef debuginfo(build-id) = 5e2d28dd9e3e970fd6a4a18d61fe5b7c47d845c7 debuginfo(build-id) = 605640d93c8a52913836bd04e62fb96543fbecf1 debuginfo(build-id) = 618dff4e584cafa87c928e7c467a71821fcf3816 debuginfo(build-id) = 66f1a3a14bdb5ca6d1bdd0620142f4043fbd36f5 debuginfo(build-id) = 6748d0c67afbbdb3830e6cf81b656b6a792a99b3 debuginfo(build-id) = 6ef869a048074c94ebba9b6bfcd1ba1880c11bc1 debuginfo(build-id) = 6f0a537f410ebf105a3cd988a56f643aecb2d0ff debuginfo(build-id) = 6fcf51c0fa8216fd3d1eca34d904e7d57dd1aabc debuginfo(build-id) = 72913813c6033484e43b69753a6a8ec2710760d7 debuginfo(build-id) = 72c58014662d88398e361b196cb30b9edbb5570c debuginfo(build-id) = 75cd135a22a06d224a6474c2d7c74d64a1fd3921 debuginfo(build-id) = 7766b51ef5234cfec3d7f4366eb95551e22522c4 debuginfo(build-id) = 7994cad8183470b2971a3189281a74db9fe4606a debuginfo(build-id) = 7cb9ce3beccd0d46b007ea93ee3acde74777676b debuginfo(build-id) = 7d157a63facc50705aa959c2f58974024b3175ad debuginfo(build-id) = 7d9238ab2b8438c90089e465c9f1070afbccb2c8 debuginfo(build-id) = 7dba6fce8d027f6c2e472048659aa5ce07cac78f debuginfo(build-id) = 7e10e88a9ad666083a79ea0710aba2c648277550 debuginfo(build-id) = 82f7eb24b5f7603c1f44006c796f804a0cf93102 debuginfo(build-id) = 8316c332ce033f00ae3a200aec5e909dbb2e2a93 debuginfo(build-id) = 8469831f3e392d03c9f32f21d4f2bdf5ae60e2a7 debuginfo(build-id) = 85c6919604e78d99b84cfd2060f8b89a455cc116 debuginfo(build-id) = 8850ffa62f5d4fe9e825f3821c2b83a90baaa78e debuginfo(build-id) = 89037f4576d8c87f08de567e42a9376a1dd99f0b debuginfo(build-id) = 8eeacf211367ba2804ae6510f262d84263845683 debuginfo(build-id) = 8fb531bba95ef5c306fd62415d2872240dd3a98c debuginfo(build-id) = 90faa0cfe8688c42647c6e913c3604ee7c367d2f debuginfo(build-id) = 911510039b055dfbdc2ac3ea7f575e4d647fb666 debuginfo(build-id) = 911fa6236f07ee5cb213c4378a1b4669c8173449 debuginfo(build-id) = 9596e987f00fa929432b75725c6c13be096bb1e0 debuginfo(build-id) = 97d2425fec77678300aa0c3c97491933f61bf427 debuginfo(build-id) = 98511b5d35832434707751b983906efddf0cd1f6 debuginfo(build-id) = 998fa1de319c676d1d2c57dc522fb36043b503bf debuginfo(build-id) = 9afb7e64bb3a372d40d9813f992cbeb8028e193b debuginfo(build-id) = 9c1dc10846abd15a2204fa41a41b43527dd3daf8 debuginfo(build-id) = 9e7a43852be1dceaefab83bc0094e173d1afa989 debuginfo(build-id) = 9e7f48d8198e4cb884e291f18ce78149bf2db87a debuginfo(build-id) = 9ea34e1f7b2b73802edb70ea741748735dfcc14e debuginfo(build-id) = a0f560a89453024a989fefa17842eb7ce28e5411 debuginfo(build-id) = a7774a035e01cec5e842882f5a0c6e9dcd5c9cc9 debuginfo(build-id) = b4bf04ccba1c0cb1774bf5b4cdc9feb9faf5c58b debuginfo(build-id) = b51eb01262ea16f0810c56c3a3e2aa4942511f30 debuginfo(build-id) = b5730716a86d642f5cf2e004f1a4fe862a3ace55 debuginfo(build-id) = b70a34f7ade3f9313ff22b247f91cfdd572d898f debuginfo(build-id) = b7eb06498ec532161d2560132725ebc631832a84 debuginfo(build-id) = baaf46c9c14625eb0926352720318cb79f78d1dc debuginfo(build-id) = bab924bdbfa74b6131b0fb80b34daf917f24f50e debuginfo(build-id) = bb3b46a25b29319bd4f3f3480e4c76d9b0322974 debuginfo(build-id) = bd6ff2e9cfe1de3de98e0467f43821204b863118 debuginfo(build-id) = be67dc11e3c57ba10c795f8c7a522d4070fecd4a debuginfo(build-id) = bf912b5eb43a3dabed0cc58ed678f6b897797ff0 debuginfo(build-id) = c20cd8f59a1c933e7df21fdd69509ab281726f50 debuginfo(build-id) = c3234a97bd444fcb945206df504c7a60921a368b debuginfo(build-id) = c4b2352620405cb90c06c2c80eda8b06f22f30ea debuginfo(build-id) = c642aacea29f0fe0a04dcf5e108a071de97fd3a3 debuginfo(build-id) = c656cfaf995dd918ccb16ee4c9c0016c03537db8 debuginfo(build-id) = c73c4ab1f48d2f360d75e007bbcc482ed44c2825 debuginfo(build-id) = cc91b84af3f571547f73ab91019644cf8d34c5d1 debuginfo(build-id) = cca2acbbdbedc4d327899caf53d6edb858f13343 debuginfo(build-id) = ccd89fc99439b2333713281d2b790980f329415c debuginfo(build-id) = ce8b6ad3a148760c17e4d8c9677ca32801efb2f5 debuginfo(build-id) = cf39918c139e65e8a3b7314a3a6ed9004e9f0f4b debuginfo(build-id) = d1afdc67aecbe75185facea160ac36058cb28bac debuginfo(build-id) = d2801ecb8080f20e04b613536b32b4781157873d debuginfo(build-id) = d4f9604f7c70bc5390003e035918845e1a254467 debuginfo(build-id) = d54808b9dfd84d6525ee599e292b488c38db40a9 debuginfo(build-id) = d7145771dc9f9584dd5e7b4f4907cd5fd3ce55d9 debuginfo(build-id) = d774a4448e232a3b4e64a6a667bcbdf5e2801d1d debuginfo(build-id) = dac422cde9ab03815a9c408d836514e6096283c7 debuginfo(build-id) = db22771e9e0025e1efb4221a3766221f223e6939 debuginfo(build-id) = dd380f6c9b8d9aa5f1562537d7a5e9709c37c7d2 debuginfo(build-id) = dd8d4836e5b98947ecb882f076c914b9710c1bea debuginfo(build-id) = e232b91722c039a53739614155e40de3a2924580 debuginfo(build-id) = e358a2fdc83711adaead61a0a02741e31d38cb2b debuginfo(build-id) = e3e720948626f7d656ec84b05b58683f0e8a92de debuginfo(build-id) = e458cac55d3e5ff50a61a475c3ff8055f74acc35 debuginfo(build-id) = e64f2d1ed3df2c6c6cbeb0af5529338385e635ad debuginfo(build-id) = ea4af8a1b0eddb2b3a77700b76a3e354dc52b678 debuginfo(build-id) = ece8e1198d08b77a20f607502e0a45ecd42fbf45 debuginfo(build-id) = ee7dd74ab4531c6aecde9222bffb5b07d3eac0ff debuginfo(build-id) = f0960a8e21114e86407a66fb33c33e2a279eaf8e debuginfo(build-id) = f4a8e39afb87bf4ffa85da2944b6ef1ffdc44b44 debuginfo(build-id) = f57fcc195ac7b2453bc2b2e094d0c576a58fd935 debuginfo(build-id) = f6e58993dcae85607ba68b4022f0e0363f4e8970 debuginfo(build-id) = f707b27726431ad8396f488209ece449ddd34c29 debuginfo(build-id) = f78bff42ecbae2903855841e2b97f388df397440 debuginfo(build-id) = f94a35181913a4e79a9b029b5a0411dd5141add2 debuginfo(build-id) = f9bb1563b7af6ddaad4c85742e7e08ed20c96be0 debuginfo(build-id) = fb91b6e185eee37df2e7e22f9182790e85fab428 libopenbabel.so.7.0.0-3.1.1-33.fc42.x86_64.debug()(64bit) openbabel-libs-debuginfo = 3.1.1-33.fc42 openbabel-libs-debuginfo(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc42
Processing files: perl-openbabel-debuginfo-3.1.1-33.fc42.x86_64
Provides: debuginfo(build-id) = 3b4ed14ca1fdff027af27b571c3c6b35440911c5 perl-openbabel-debuginfo = 3.1.1-33.fc42 perl-openbabel-debuginfo(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc42
Processing files: python3-openbabel-debuginfo-3.1.1-33.fc42.x86_64
Provides: debuginfo(build-id) = 5d5f0a92d9d43201f00c397fbee5e99e87306db5 python-openbabel-debuginfo = 3.1.1-33.fc42 python3-openbabel-debuginfo = 3.1.1-33.fc42 python3-openbabel-debuginfo(x86-64) = 3.1.1-33.fc42 python3.13-openbabel-debuginfo = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc42
Processing files: ruby-openbabel-debuginfo-3.1.1-33.fc42.x86_64
Provides: debuginfo(build-id) = c71bfa634a2929b2c83d1cff4dbf3cab95362918 ruby-openbabel-debuginfo = 3.1.1-33.fc42 ruby-openbabel-debuginfo(x86-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc42
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
Wrote: /builddir/build/RPMS/python3-openbabel-debuginfo-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-debuginfo-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-debugsource-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-debuginfo-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-debuginfo-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/python3-openbabel-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-debuginfo-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-devel-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-doc-3.1.1-33.fc42.noarch.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-3.1.1-33.fc42.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-debuginfo-3.1.1-33.fc42.x86_64.rpm
Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.5jIIbN
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ test -d /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/openbabel-3.1.1-build
+ rm -rf /builddir/build/BUILD/openbabel-3.1.1-build
+ RPM_EC=0
++ jobs -p
+ exit 0
RPM build warnings:
    File listed twice: /usr/lib/.build-id/f8/03f907b5288e7b1eaeda9d38551e49437e878d
Child return code was: 0